5VBE
 
 | | Crystal Structure of Small Molecule Disulfide 2C07 Bound to H-Ras M72C GDP | | Descriptor: | 1-(4-methoxyphenyl)-N-(3-sulfanylpropyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide, GTPase HRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Gentile, D.R, Jenkins, M.L, Moss, S.M, Burke, J.E, Shokat, K.M. | | Deposit date: | 2017-03-29 | | Release date: | 2017-10-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Ras Binder Induces a Modified Switch-II Pocket in GTP and GDP States.
Cell Chem Biol, 24, 2017
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5UNH
 | | Synchrotron structure of human angiotensin II type 2 receptor in complex with compound 2 (N-[(furan-2-yl)methyl]-N-(4-oxo-2-propyl-3-{[2'-(2H-tetrazol-5-yl)[1,1'- biphenyl]-4-yl]methyl}-3,4-dihydroquinazolin-6-yl)benzamide) | | Descriptor: | N-[(furan-2-yl)methyl]-N-(4-oxo-2-propyl-3-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydroquinazolin-6-yl)benzamide, Soluble cytochrome b562,Type-2 angiotensin II receptor | | Authors: | Zhang, H, Han, G.W, Batyuk, A, Ishchenko, A, White, K.L, Patel, N, Sadybekov, A, Zamlynny, B, Rudd, M.T, Hollenstein, K, Tolstikova, A, White, T.A, Hunter, M.S, Weierstall, U, Liu, W, Babaoglu, K, Moore, E.L, Katz, R.D, Shipman, J.M, Garcia-Calvo, M, Sharma, S, Sheth, P, Soisson, S.M, Stevens, R.C, Katritch, V, Cherezov, V. | | Deposit date: | 2017-01-30 | | Release date: | 2017-04-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural basis for selectivity and diversity in angiotensin II receptors.
Nature, 544, 2017
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8A3Y
 | | Structure of mammalian Pol II-DSIF-SPT6-PAF1-TFIIS-hexasome elongation complex | | Descriptor: | DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit RPB11-a, DNA-directed RNA polymerase II subunit RPB3, ... | | Authors: | Farnung, L, Ochmann, M, Garg, G, Vos, S.M, Cramer, P. | | Deposit date: | 2022-06-09 | | Release date: | 2024-07-31 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structure of a backtracked hexasomal intermediate of nucleosome transcription.
Mol.Cell, 82, 2022
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3P3I
 | | Crystal structure of the F36A mutant of the fluoroacetyl-CoA-specific thioesterase FlK in complex with fluoroacetate and CoA | | Descriptor: | COENZYME A, Fluoroacetyl coenzyme A thioesterase, fluoroacetic acid | | Authors: | Weeks, A.M, Coyle, S.M, Jinek, M, Doudna, J.A, Chang, M.C.Y. | | Deposit date: | 2010-10-04 | | Release date: | 2010-10-20 | | Last modified: | 2011-11-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural and biochemical studies of a fluoroacetyl-CoA-specific thioesterase reveal a molecular basis for fluorine selectivity.
Biochemistry, 49, 2010
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8AGK
 | | Botulinum neurotoxin subtype A6 cell binding domain in complex with GD1a ganglioside | | Descriptor: | 1,2-ETHANEDIOL, Bont/A1, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Gregory, K.S, Acharya, K.R, Liu, S.M, Newell, A.R, Mojanaga, O.O. | | Deposit date: | 2022-07-20 | | Release date: | 2022-09-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal Structures of the Clostridium botulinum Neurotoxin A6 Cell Binding Domain Alone and in Complex with GD1a Reveal Significant Conformational Flexibility.
Int J Mol Sci, 23, 2022
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3OKZ
 | | Crystal Structure of protein gbs0355 from Streptococcus agalactiae, Northeast Structural Genomics Consortium Target SaR127 | | Descriptor: | Putative uncharacterized protein gbs0355 | | Authors: | Kuzin, A, Lew, S, Vorobiev, S.M, Seetharaman, J, Janjua, J, Xiao, R, Ciccosanti, C, Wang, D, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2010-08-25 | | Release date: | 2010-09-22 | | Last modified: | 2019-07-17 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Northeast Structural Genomics Consortium Target SaR127
To be Published
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8ALP
 | | Botulinum neurotoxin A6 cell binding domain crystal form II | | Descriptor: | 1,2-ETHANEDIOL, Bont/A1, DI(HYDROXYETHYL)ETHER | | Authors: | Gregory, K.S, Acharya, K.R, Liu, S.M. | | Deposit date: | 2022-08-01 | | Release date: | 2022-09-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal Structures of the Clostridium botulinum Neurotoxin A6 Cell Binding Domain Alone and in Complex with GD1a Reveal Significant Conformational Flexibility.
Int J Mol Sci, 23, 2022
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3DAS
 | | Structure of the PQQ-bound form of Aldose Sugar Dehydrogenase (Adh) from Streptomyces coelicolor | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, PYRROLOQUINOLINE QUINONE, ... | | Authors: | Southall, S.M, Doel, J.J, Oubrie, A, Richardson, D.J. | | Deposit date: | 2008-05-30 | | Release date: | 2009-06-02 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural and Enzymatic Characterization of a Thermostable PQQ-dependent Soluble Aldose Sugar Dehydrogenase
To be Published
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5VLI
 | | Computationally designed inhibitor peptide HB1.6928.2.3 in complex with influenza hemagglutinin (A/PuertoRico/8/1934) | | Descriptor: | 2,5,8,11-TETRAOXATRIDECANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Bernard, S.M, Wilson, I.A. | | Deposit date: | 2017-04-25 | | Release date: | 2017-09-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.799 Å) | | Cite: | Massively parallel de novo protein design for targeted therapeutics.
Nature, 550, 2017
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4K7Z
 | | Crystal structure of the C136(42)A/C141(47)A double mutant of Tn501 MerA in complex with NADP and Hg2+ | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, MERCURY (II) ION, ... | | Authors: | Dong, A, Falkowaski, M, Malone, M, Miller, S.M, Pai, E.F. | | Deposit date: | 2013-04-17 | | Release date: | 2013-05-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of the C136(42)A/C141(47)A double mutant of Tn501 MerA in complex with NADP and Hg2+
To be Published
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3DC7
 | | Crystal structure of the protein Q88SR8 from Lactobacillus plantarum. Northeast Structural Genomics consortium target LpR109. | | Descriptor: | MAGNESIUM ION, Putative uncharacterized protein lp_3323, SODIUM ION, ... | | Authors: | Kuzin, A.P, Abashidze, M, Vorobiev, S.M, Seetharaman, J, Zhao, L, Mao, L, Ciccosanti, C, Xiao, R, Nair, R, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2008-06-03 | | Release date: | 2008-08-05 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Crystal structure of the protein Q88SR8 from Lactobacillus plantarum. Northeast Structural Genomics consortium target LpR109. (CASP Target)
To be Published
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3P2S
 | | Crystal structure of the fluoroacetyl-CoA-specific thioesterase FlK in an open conformation | | Descriptor: | Fluoroacetyl coenzyme A thioesterase | | Authors: | Weeks, A.M, Coyle, S.M, Jinek, M, Doudna, J.A, Chang, M.C.Y. | | Deposit date: | 2010-10-04 | | Release date: | 2010-10-20 | | Last modified: | 2011-11-16 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural and biochemical studies of a fluoroacetyl-CoA-specific thioesterase reveal a molecular basis for fluorine selectivity.
Biochemistry, 49, 2010
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3P3Q
 | | Crystal Structure of MmoQ Response regulator from Methylococcus capsulatus str. Bath at the resolution 2.4A, Northeast Structural Genomics Consortium Target McR175M | | Descriptor: | MmoQ, SODIUM ION, SULFATE ION | | Authors: | Kuzin, A.P, Vorobiev, S.M, Abashidze, M, Seetharaman, J, Janjua, J, Xiao, R, Foote, E.L, Ciccosanti, C, Wang, H, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2010-10-05 | | Release date: | 2010-11-10 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Northeast Structural Genomics Consortium Target McR175M
To be Published
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8AXP
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3DCP
 | | Crystal structure of the putative histidinol phosphatase hisK from Listeria monocytogenes. Northeast Structural Genomics Consortium target LmR141. | | Descriptor: | FE (III) ION, Histidinol-phosphatase, ZINC ION | | Authors: | Vorobiev, S.M, Su, M, Seetharaman, J, Zhao, L, Mao, L, Foote, E.L, Xiao, R, Nair, R, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2008-06-04 | | Release date: | 2008-07-29 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of the putative histidinol phosphatase hisK from Listeria monocytogenes.
To be Published
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6HZM
 | | Cryo-EM structure of the ABCG2 E211Q mutant bound to ATP and Magnesium (alternative placement of Magnesium into the cryo-EM density) | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family G member 2, MAGNESIUM ION | | Authors: | Manolaridis, I, Jackson, S.M, Taylor, N.M.I, Kowal, J, Stahlberg, H, Locher, K.P. | | Deposit date: | 2018-10-23 | | Release date: | 2018-11-14 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (3.09 Å) | | Cite: | Cryo-EM structures of a human ABCG2 mutant trapped in ATP-bound and substrate-bound states.
Nature, 563, 2018
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8AX5
 | | Crystal structure of a CGRP receptor ectodomain heterodimer bound to macrocyclic inhibitor HTL0029881 | | Descriptor: | (1~{R},10~{R},20~{E})-12-methyl-10-[(7-methyl-2~{H}-indazol-5-yl)methyl]-15,18-dioxa-9,12,24,26-tetrazapentacyclo[20.5.2.1^{1,4}.1^{3,7}.0^{25,28}]hentriaconta-3,5,7(30),20,22,24,28-heptaene-8,11,27-trione, Maltose/maltodextrin-binding periplasmic protein,Receptor activity-modifying protein 1,Calcitonin gene-related peptide type 1 receptor, TETRAETHYLENE GLYCOL, ... | | Authors: | Southall, S.M, Watson, S.P. | | Deposit date: | 2022-08-30 | | Release date: | 2022-12-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Novel Macrocyclic Antagonists of the CGRP Receptor Part 2: Stereochemical Inversion Induces an Unprecedented Binding Mode.
Acs Med.Chem.Lett., 13, 2022
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8AX6
 | | Crystal structure of a CGRP receptor ectodomain heterodimer bound to macrocyclic inhibitor HTL0029882 | | Descriptor: | (1~{S},10~{R},20~{E})-12-methyl-10-[(7-methyl-2~{H}-indazol-5-yl)methyl]-15,18-dioxa-9,12,24,26-tetrazapentacyclo[20.5.2.1^{1,4}.1^{3,7}.0^{25,28}]hentriaconta-3(30),4,6,20,22,24,28-heptaene-8,11,27-trione, Maltose/maltodextrin-binding periplasmic protein,Receptor activity-modifying protein 1,Calcitonin gene-related peptide type 1 receptor, TETRAETHYLENE GLYCOL, ... | | Authors: | Southall, S.M, Watson, S.P. | | Deposit date: | 2022-08-30 | | Release date: | 2022-12-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Novel Macrocyclic Antagonists of the CGRP Receptor Part 2: Stereochemical Inversion Induces an Unprecedented Binding Mode.
Acs Med.Chem.Lett., 13, 2022
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8AX7
 | | Crystal structure of a CGRP receptor ectodomain heterodimer bound to macrocyclic inhibitor HTL0031448 | | Descriptor: | (1~{S},10~{R},20~{E})-10-[(1,7-dimethylindazol-5-yl)methyl]-12-methyl-15,18-dioxa-9,12,24,26-tetrazapentacyclo[20.5.2.1^{1,4}.1^{3,7}.0^{25,28}]hentriaconta-3(30),4,6,20,22,24,28-heptaene-8,11,27-trione, ACETATE ION, Maltose/maltodextrin-binding periplasmic protein,Receptor activity-modifying protein 1,Calcitonin gene-related peptide type 1 receptor, ... | | Authors: | Southall, S.M, Watson, S.P. | | Deposit date: | 2022-08-30 | | Release date: | 2022-12-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Novel Macrocyclic Antagonists of the CGRP Receptor Part 2: Stereochemical Inversion Induces an Unprecedented Binding Mode.
Acs Med.Chem.Lett., 13, 2022
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6HIJ
 | | Cryo-EM structure of the human ABCG2-MZ29-Fab complex with cholesterol and PE lipids docked | | Descriptor: | 1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine, ATP-binding cassette sub-family G member 2, CHOLESTEROL, ... | | Authors: | Jackson, S.M, Manolaridis, I, Kowal, J, Zechner, M, Taylor, N.M.I, Bause, M, Bauer, S, Bartholomaeus, R, Stahlberg, H, Bernhardt, G, Koenig, B, Buschauer, A, Altmann, K.H, Locher, K.P. | | Deposit date: | 2018-08-30 | | Release date: | 2018-09-19 | | Last modified: | 2019-12-11 | | Method: | ELECTRON MICROSCOPY (3.56 Å) | | Cite: | Structural basis of small-molecule inhibition of human multidrug transporter ABCG2.
Nat.Struct.Mol.Biol., 25, 2018
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4K8D
 | | Crystal structure of the C558(464)A/C559(465)A double mutant of Tn501 MerA in complex with NADPH and Hg2+ | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Mercuric reductase, ... | | Authors: | Dong, A, Falkowski, M, Malone, M, Miller, S.M, Pai, E.F. | | Deposit date: | 2013-04-18 | | Release date: | 2013-05-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Crystal structure of the C136(42)A/C141(47)A double mutant of Tn501 MerA in complex with NADPH and
Hg2+
to be published
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3B57
 | | Crystal structure of the Lin1889 protein (Q92AN1) from Listeria innocua. Northeast Structural Consortium target LkR65 | | Descriptor: | Lin1889 protein, MAGNESIUM ION | | Authors: | Kuzin, A.P, Abashidze, M, Seetharaman, J, Benach, J, Forouhar, F, Vorobiev, S.M, Wang, H, Janjua, H, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2007-10-25 | | Release date: | 2007-11-06 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure of the Lin1889 protein (Q92AN1) from Listeria innocua.
To be Published
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3P2R
 | | Crystal structure of the fluoroacetyl-CoA-specific thioesterase FlK in complex with fluoroacetate | | Descriptor: | Fluoroacetyl coenzyme A thioesterase, fluoroacetic acid | | Authors: | Weeks, A.M, Coyle, S.M, Jinek, M, Doudna, J.A, Chang, M.C.Y. | | Deposit date: | 2010-10-03 | | Release date: | 2010-10-20 | | Last modified: | 2011-11-16 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Structural and biochemical studies of a fluoroacetyl-CoA-specific thioesterase reveal a molecular basis for fluorine selectivity.
Biochemistry, 49, 2010
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5TY3
 | | Crystal structure of K72A variant of Human Cytochrome c | | Descriptor: | Cytochrome c, HEME C, SULFATE ION | | Authors: | Mou, T.C, Nold, S.M, Lei, H, Sprang, S.R, Bowler, B.E. | | Deposit date: | 2016-11-18 | | Release date: | 2017-09-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Effect of a K72A Mutation on the Structure, Stability, Dynamics, and Peroxidase Activity of Human Cytochrome c.
Biochemistry, 56, 2017
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4IPX
 | | Analyzing the visible conformational substates of the FK506 binding protein FKBP12 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Peptidyl-prolyl cis-trans isomerase FKBP1A | | Authors: | Chen, H, Mustafi, S.M, Li, H.M, LeMaster, D.M, Hernandez, G. | | Deposit date: | 2013-01-10 | | Release date: | 2013-06-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Analysing the visible conformational substates of the FK506-binding protein FKBP12.
Biochem.J., 453, 2013
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