4YS6
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![BU of 4ys6 by Molmil](/molmil-images/mine/4ys6) | CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM CLOSTRIDIUM PHYTOFERMENTANS (Cphy_1585, TARGET EFI-511156) WITH BOUND BETA-D-GLUCOSE | Descriptor: | CHLORIDE ION, Putative solute-binding component of ABC transporter, SODIUM ION, ... | Authors: | Vetting, M.W, Patskovsky, Y, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2015-03-16 | Release date: | 2015-04-08 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.698 Å) | Cite: | CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM CLOSTRIDIUM PHYTOFERMENTANS (Cphy_1585, TARGET EFI-511156) WITH BOUND BETA-D-GLUCOSE To be published
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4WF7
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![BU of 4wf7 by Molmil](/molmil-images/mine/4wf7) | Crystal structures of trehalose synthase from Deinococcus radiodurans reveal that a closed conformation is involved in the intramolecular isomerization catalysis | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, MAGNESIUM ION, ... | Authors: | Wang, Y.L, Chow, S.Y, Lin, Y.T, Hsieh, Y.C, Lee, G.C, Liaw, S.H. | Deposit date: | 2014-09-13 | Release date: | 2014-12-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Structures of trehalose synthase from Deinococcus radiodurans reveal that a closed conformation is involved in catalysis of the intramolecular isomerization. Acta Crystallogr.,Sect.D, 70, 2014
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4WGH
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![BU of 4wgh by Molmil](/molmil-images/mine/4wgh) | Crystal structure of aldo/keto reductase from Klebsiella pneumoniae in complex with NADP and acetate at 1.8 A resolution | Descriptor: | ACETATE ION, Aldehyde reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Bacal, P, Shabalin, I.G, Cooper, D.R, Hillerich, B.S, Zimmerman, M.D, Chowdhury, S, Hammonds, J, Al Obaidi, N, Gizzi, A, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2014-09-18 | Release date: | 2014-10-01 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of aldo/keto reductase from Klebsiella pneumoniae in complex with NADP and acetate at 1.8 A resolution to be published
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8DM3
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![BU of 8dm3 by Molmil](/molmil-images/mine/8dm3) | Cryo-EM structure of SARS-CoV-2 Omicron BA.2 spike protein in complex with Fab 4A8 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab 4A8 heavy chain, ... | Authors: | Zhu, X, Saville, J.W, Mannar, D, Berezuk, A.M, Cholak, S, Tuttle, K.S, Vahdatihassani, F, Subramaniam, S. | Deposit date: | 2022-07-08 | Release date: | 2023-01-25 | Method: | ELECTRON MICROSCOPY (2.37 Å) | Cite: | Structural analysis of receptor engagement and antigenic drift within the BA.2 spike protein. Cell Rep, 42, 2023
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8DM2
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![BU of 8dm2 by Molmil](/molmil-images/mine/8dm2) | Cryo-EM structure of SARS-CoV-2 Omicron BA.2 spike protein (focused refinement of NTD) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Zhu, X, Saville, J.W, Mannar, D, Berezuk, A.M, Cholak, S, Tuttle, K.S, Vahdatihassani, F, Subramaniam, S. | Deposit date: | 2022-07-08 | Release date: | 2023-01-25 | Method: | ELECTRON MICROSCOPY (2.91 Å) | Cite: | Structural analysis of receptor engagement and antigenic drift within the BA.2 spike protein. Cell Rep, 42, 2023
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8DM1
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![BU of 8dm1 by Molmil](/molmil-images/mine/8dm1) | Cryo-EM structure of SARS-CoV-2 Omicron BA.2 spike protein | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Zhu, X, Saville, J.W, Mannar, D, Berezuk, A.M, Cholak, S, Tuttle, K.S, Vahdatihassani, F, Subramaniam, S. | Deposit date: | 2022-07-08 | Release date: | 2023-01-25 | Method: | ELECTRON MICROSCOPY (3.04 Å) | Cite: | Structural analysis of receptor engagement and antigenic drift within the BA.2 spike protein. Cell Rep, 42, 2023
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8DM4
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![BU of 8dm4 by Molmil](/molmil-images/mine/8dm4) | Cryo-EM structure of SARS-CoV-2 Omicron BA.2 spike protein in complex with Fab 4A8 (focused refinement of NTD and 4A8) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab 4A8 heavy chain, ... | Authors: | Zhu, X, Saville, J.W, Mannar, D, Berezuk, A.M, Cholak, S, Tuttle, K.S, Vahdatihassani, F, Subramaniam, S. | Deposit date: | 2022-07-08 | Release date: | 2023-01-25 | Method: | ELECTRON MICROSCOPY (2.45 Å) | Cite: | Structural analysis of receptor engagement and antigenic drift within the BA.2 spike protein. Cell Rep, 42, 2023
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8DMA
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![BU of 8dma by Molmil](/molmil-images/mine/8dma) | Cryo-EM structure of SARS-CoV-2 Omicron BA.1 spike protein in complex with mouse ACE2 (focused refinement of RBD and ACE2) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike glycoprotein | Authors: | Zhu, X, Saville, J.W, Mannar, D, Berezuk, A.M, Cholak, S, Tuttle, K.S, Vahdatihassani, F, Subramaniam, S. | Deposit date: | 2022-07-08 | Release date: | 2023-02-08 | Method: | ELECTRON MICROSCOPY (2.79 Å) | Cite: | Structural analysis of receptor engagement and antigenic drift within the BA.2 spike protein. Cell Rep, 42, 2023
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8DM7
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![BU of 8dm7 by Molmil](/molmil-images/mine/8dm7) | Cryo-EM structure of SARS-CoV-2 Omicron BA.2 spike protein in complex with mouse ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | Authors: | Zhu, X, Saville, J.W, Mannar, D, Berezuk, A.M, Cholak, S, Tuttle, K.S, Vahdatihassani, F, Subramaniam, S. | Deposit date: | 2022-07-08 | Release date: | 2023-02-08 | Method: | ELECTRON MICROSCOPY (2.49 Å) | Cite: | Structural analysis of receptor engagement and antigenic drift within the BA.2 spike protein. Cell Rep, 42, 2023
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8DM6
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![BU of 8dm6 by Molmil](/molmil-images/mine/8dm6) | Cryo-EM structure of SARS-CoV-2 Omicron BA.2 spike protein in complex with human ACE2 (focused refinement of RBD and ACE2) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein | Authors: | Zhu, X, Saville, J.W, Mannar, D, Berezuk, A.M, Cholak, S, Tuttle, K.S, Vahdatihassani, F, Subramaniam, S. | Deposit date: | 2022-07-08 | Release date: | 2023-02-08 | Method: | ELECTRON MICROSCOPY (2.77 Å) | Cite: | Structural analysis of receptor engagement and antigenic drift within the BA.2 spike protein. Cell Rep, 42, 2023
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8DM8
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![BU of 8dm8 by Molmil](/molmil-images/mine/8dm8) | Cryo-EM structure of SARS-CoV-2 Omicron BA.2 spike protein in complex with mouse ACE2 (focused refinement of RBD and ACE2) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike glycoprotein | Authors: | Zhu, X, Saville, J.W, Mannar, D, Berezuk, A.M, Cholak, S, Tuttle, K.S, Vahdatihassani, F, Subramaniam, S. | Deposit date: | 2022-07-08 | Release date: | 2023-02-08 | Method: | ELECTRON MICROSCOPY (2.68 Å) | Cite: | Structural analysis of receptor engagement and antigenic drift within the BA.2 spike protein. Cell Rep, 42, 2023
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8DM9
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![BU of 8dm9 by Molmil](/molmil-images/mine/8dm9) | Cryo-EM structure of SARS-CoV-2 Omicron BA.1 spike protein in complex with mouse ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | Authors: | Zhu, X, Saville, J.W, Mannar, D, Berezuk, A.M, Cholak, S, Tuttle, K.S, Vahdatihassani, F, Subramaniam, S. | Deposit date: | 2022-07-08 | Release date: | 2023-02-08 | Method: | ELECTRON MICROSCOPY (2.56 Å) | Cite: | Structural analysis of receptor engagement and antigenic drift within the BA.2 spike protein. Cell Rep, 42, 2023
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8DM5
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![BU of 8dm5 by Molmil](/molmil-images/mine/8dm5) | Cryo-EM structure of SARS-CoV-2 Omicron BA.2 spike protein in complex with human ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ... | Authors: | Zhu, X, Saville, J.W, Mannar, D, Berezuk, A.M, Cholak, S, Tuttle, K.S, Vahdatihassani, F, Subramaniam, S. | Deposit date: | 2022-07-08 | Release date: | 2023-02-08 | Method: | ELECTRON MICROSCOPY (2.51 Å) | Cite: | Structural analysis of receptor engagement and antigenic drift within the BA.2 spike protein. Cell Rep, 42, 2023
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4Y9T
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![BU of 4y9t by Molmil](/molmil-images/mine/4y9t) | CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM AGROBACTERIUM VITIS S4 (Avi_5305, TARGET EFI-511224) WITH BOUND ALPHA-D-GLUCOSAMINE | Descriptor: | 2-amino-2-deoxy-alpha-D-glucopyranose, ABC transporter, solute binding protein | Authors: | Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2015-02-17 | Release date: | 2015-03-11 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | Structure of an ABC transporter solute-binding protein specific for the amino sugars glucosamine and galactosamine. Acta Crystallogr.,Sect.F, 72, 2016
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1B9F
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![BU of 1b9f by Molmil](/molmil-images/mine/1b9f) | MOBILITY OF AN HIV-1 INTEGRASE ACTIVE SITE LOOP IS CORRELATED WITH CATALYTIC ACTIVITY | Descriptor: | CACODYLATE ION, PROTEIN (INTEGRASE), SULFATE ION | Authors: | Greenwald, J, Le, V, Butler, S.L, Bushman, F.D, Choe, S. | Deposit date: | 1999-02-11 | Release date: | 1999-07-19 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The mobility of an HIV-1 integrase active site loop is correlated with catalytic activity. Biochemistry, 38, 1999
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8CU6
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![BU of 8cu6 by Molmil](/molmil-images/mine/8cu6) | Crystal structure of A2AAR-StaR2-S277-bRIL in complex with a novel A2a antagonist, LJ-4517 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R,3R,4R)-2-[(8P)-6-amino-2-(hex-1-yn-1-yl)-8-(thiophen-2-yl)-9H-purin-9-yl]oxolane-3,4-diol, Adenosine receptor A2a,Soluble cytochrome b562, ... | Authors: | Shiriaeva, A, Park, D.-J, Kim, G, Lee, Y, Hou, X, Jarhad, D.B, Kim, G, Yu, J, Hyun, Y.E, Kim, W, Gao, Z.-G, Jacobson, K.A, Han, G.W, Stevens, R.C, Jeong, L.S, Choi, S, Cherezov, V. | Deposit date: | 2022-05-16 | Release date: | 2022-08-31 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | GPCR Agonist-to-Antagonist Conversion: Enabling the Design of Nucleoside Functional Switches for the A 2A Adenosine Receptor. J.Med.Chem., 65, 2022
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1B92
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![BU of 1b92 by Molmil](/molmil-images/mine/1b92) | MOBILITY OF AN HIV-1 INTEGRASE ACTIVE SITE LOOP IS CORRELATED WITH CATALYTIC ACTIVITY | Descriptor: | CACODYLATE ION, PROTEIN (INTEGRASE), SULFATE ION | Authors: | Greenwald, J, Le, V, Butler, S.L, Bushman, F.D, Choe, S. | Deposit date: | 1999-02-19 | Release date: | 1999-07-19 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | The mobility of an HIV-1 integrase active site loop is correlated with catalytic activity. Biochemistry, 38, 1999
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1B9D
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![BU of 1b9d by Molmil](/molmil-images/mine/1b9d) | MOBILITY OF AN HIV-1 INTEGRASE ACTIVE SITE LOOP IS CORRELATED WITH CATALYTIC ACTIVITY | Descriptor: | CACODYLATE ION, PROTEIN (INTEGRASE), SULFATE ION | Authors: | Greenwald, J, Le, V, Butler, S.L, Bushman, F.D, Choe, S. | Deposit date: | 1999-02-11 | Release date: | 1999-07-19 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The mobility of an HIV-1 integrase active site loop is correlated with catalytic activity. Biochemistry, 38, 1999
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8CU7
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![BU of 8cu7 by Molmil](/molmil-images/mine/8cu7) | Crystal structure of A2AAR-StaR2-bRIL in complex with a novel A2a antagonist, LJ-4517 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R,3R,4R)-2-[(8P)-6-amino-2-(hex-1-yn-1-yl)-8-(thiophen-2-yl)-9H-purin-9-yl]oxolane-3,4-diol, Adenosine receptor A2a,Soluble cytochrome b562, ... | Authors: | Shiriaeva, A, Park, D.-J, Kim, G, Lee, Y, Hou, X, Jarhad, D.B, Kim, G, Yu, J, Hyun, Y.E, Kim, W, Gao, Z.-G, Jacobson, K.A, Han, G.W, Stevens, R.C, Jeong, L.S, Choi, S, Cherezov, V. | Deposit date: | 2022-05-16 | Release date: | 2022-08-31 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | GPCR Agonist-to-Antagonist Conversion: Enabling the Design of Nucleoside Functional Switches for the A 2A Adenosine Receptor. J.Med.Chem., 65, 2022
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6SM1
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![BU of 6sm1 by Molmil](/molmil-images/mine/6sm1) | Wild type immunoglobulin light chain (WT-1) | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, Immunoglobulin lambda variable 2-14, ... | Authors: | Kazman, P, Vielberg, M.-T, Cendales, M.D.P, Hunziger, L, Weber, B, Hegenbart, U, Zacharias, M, Koehler, R, Schoenland, S, Groll, M, Buchner, J. | Deposit date: | 2019-08-21 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Fatal amyloid formation in a patient's antibody light chain is caused by a single point mutation. Elife, 9, 2020
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6SM2
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![BU of 6sm2 by Molmil](/molmil-images/mine/6sm2) | Mutant immunoglobulin light chain causing amyloidosis (Pat-1) | Descriptor: | Pat-1 | Authors: | Kazman, P, Vielberg, M.-T, Cendales, M.D.P, Hunziger, L, Weber, B, Hegenbart, U, Zacharias, M, Koehler, R, Schoenland, S, Groll, M, Buchner, J. | Deposit date: | 2019-08-21 | Release date: | 2020-03-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Fatal amyloid formation in a patient's antibody light chain is caused by a single point mutation. Elife, 9, 2020
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5DMH
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![BU of 5dmh by Molmil](/molmil-images/mine/5dmh) | Crystal structure of a domain of unknown function (DUF1537) from Ralstonia eutropha H16 (H16_A1561), Target EFI-511666, complex with ADP. | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Uncharacterized protein conserved in bacteria | Authors: | Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2015-09-08 | Release date: | 2015-10-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of a domain of unknown function (DUF1537) from Ralstonia eutropha H16 (H16_A1561), Target EFI-511666, complex with ADP. To be published
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5DM3
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![BU of 5dm3 by Molmil](/molmil-images/mine/5dm3) | Crystal Structure of Glutamine Synthetase from Chromohalobacter salexigens DSM 3043(Csal_0679, TARGET EFI-550015) with bound ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, L-glutamine synthetase | Authors: | Yadava, U, Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2015-09-07 | Release date: | 2015-09-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal Structure of Glutamine Synthetase from Chromohalobacter salexigens DSM 3043(Csal_0679, TARGET EFI-550015) with bound ADP To be published
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5DTE
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![BU of 5dte by Molmil](/molmil-images/mine/5dte) | Crystal Structure of an ABC transporter periplasmic solute binding protein (IPR025997) from Actinobacillus succinogenes 130z(Asuc_0081, TARGET EFI-511065) with bound D-allose | Descriptor: | Monosaccharide-transporting ATPase, beta-D-allopyranose | Authors: | Yadava, U, Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2015-09-18 | Release date: | 2015-10-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal Structure of an ABC transporter periplasmic solute binding protein (IPR025997) from Actinobacillus succinogenes 130z(Asuc_0081, TARGET EFI-511065) with bound D-allose To be published
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8DCP
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![BU of 8dcp by Molmil](/molmil-images/mine/8dcp) | PI 3-kinase alpha with nanobody 3-126 | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Hart, J.R, Liu, X, Pan, C, Liang, A, Ueno, L, Xu, Y, Quezada, A, Zou, X, Yang, S, Zhou, Q, Schoonooghe, S, Hassanzadeh-Ghassabeh, G, Xia, T, Shui, W, Yang, D, Vogt, P.K, Wang, M.-W. | Deposit date: | 2022-06-17 | Release date: | 2022-09-21 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.41 Å) | Cite: | Nanobodies and chemical cross-links advance the structural and functional analysis of PI3K alpha. Proc.Natl.Acad.Sci.USA, 119, 2022
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