7SXW
 
 | | Cryo-EM structure of the SARS-CoV-2 D614G,N501Y,E484K,K417T mutant spike protein ectodomain | | 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, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Zhou, S, Tuttle, K.S, Kim, A, Li, W, Dimitrov, D.S, Subramaniam, S. | | Deposit date: | 2021-11-24 | | Release date: | 2021-12-29 | | Last modified: | 2022-01-05 | | Method: | ELECTRON MICROSCOPY (2.85 Å) | | Cite: | Structural analysis of receptor binding domain mutations in SARS-CoV-2 variants of concern that modulate ACE2 and antibody binding.
Cell Rep, 37, 2021
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7SXR
 | | Cryo-EM structure of the SARS-CoV-2 D614G mutant spike protein ectodomain | | 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, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Zhou, S, Tuttle, K.S, Kim, A, Li, W, Dimitrov, D.S, Subramaniam, S. | | Deposit date: | 2021-11-24 | | Release date: | 2021-12-29 | | Last modified: | 2022-01-05 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural analysis of receptor binding domain mutations in SARS-CoV-2 variants of concern that modulate ACE2 and antibody binding.
Cell Rep, 37, 2021
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6CMR
 | | Closed structure of active SHP2 mutant E76D bound to SHP099 inhibitor | | Descriptor: | 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Padua, R.A.P, Sun, Y, Marko, I, Pitsawong, W, Kern, D. | | Deposit date: | 2018-03-06 | | Release date: | 2018-11-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Mechanism of activating mutations and allosteric drug inhibition of the phosphatase SHP2.
Nat Commun, 9, 2018
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7SXV
 | | Cryo-EM structure of the SARS-CoV-2 D614G,N501Y,E484K,K417N mutant spike protein ectodomain | | 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, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Zhou, S, Tuttle, K.S, Kim, A, Li, W, Dimitrov, D.S, Subramaniam, S. | | Deposit date: | 2021-11-24 | | Release date: | 2021-12-29 | | Last modified: | 2022-01-05 | | Method: | ELECTRON MICROSCOPY (2.79 Å) | | Cite: | Structural analysis of receptor binding domain mutations in SARS-CoV-2 variants of concern that modulate ACE2 and antibody binding.
Cell Rep, 37, 2021
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7SXU
 | | Cryo-EM structure of the SARS-CoV-2 D614G,N501Y,E484K mutant spike protein ectodomain | | 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, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Zhou, S, Tuttle, K.S, Kim, A, Li, W, Dimitrov, D.S, Subramaniam, S. | | Deposit date: | 2021-11-24 | | Release date: | 2021-12-29 | | Last modified: | 2022-01-05 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural analysis of receptor binding domain mutations in SARS-CoV-2 variants of concern that modulate ACE2 and antibody binding.
Cell Rep, 37, 2021
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4IJB
 | | Crystal Structure of Engineered Protein, Northeast Structural Genomics Consortium Target OR288 | | Descriptor: | Engineered Protein OR288 | | Authors: | Vorobiev, S, Su, M, Bick, M.J, Seetharaman, J, Khare, S, Maglaqui, M, Xiao, R, Lee, D, Day, A, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Hunt, J, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2012-12-21 | | Release date: | 2013-01-16 | | Last modified: | 2013-02-27 | | Method: | X-RAY DIFFRACTION (1.739 Å) | | Cite: | Crystal Structure of Engineered Protein OR288.
To be Published
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4RAD
 | | Aza-acyclic nucleoside phosphonates containing a second phosphonate group as inhibitors of the human, Plasmodium falciparum and vivax 6-oxopurine phosphoribosyltransferases and their pro-drugs as antimalarial agents | | Descriptor: | (2-{[2-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)ethyl][2-(2-phosphonoethoxy)ethyl]amino}ethyl)phosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION | | Authors: | Keough, D.T, Hockova, D, Janeba, Z, Wang, T.-H, Naesens, L, Edstein, M.D, Chavchich, M, Guddat, L.W. | | Deposit date: | 2014-09-10 | | Release date: | 2015-01-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Aza-acyclic Nucleoside Phosphonates Containing a Second Phosphonate Group As Inhibitors of the Human, Plasmodium falciparum and vivax 6-Oxopurine Phosphoribosyltransferases and Their Prodrugs As Antimalarial Agents.
J.Med.Chem., 58, 2015
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5K7T
 | | MicroED structure of thermolysin at 2.5 A resolution | | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, ISOPROPYL ALCOHOL, ... | | Authors: | de la Cruz, M.J, Hattne, J, Shi, D, Seidler, P, Rodriguez, J, Reyes, F.E, Sawaya, M.R, Cascio, D, Eisenberg, D, Gonen, T. | | Deposit date: | 2016-05-26 | | Release date: | 2017-04-05 | | Last modified: | 2024-02-28 | | Method: | ELECTRON CRYSTALLOGRAPHY (2.5 Å) | | Cite: | Atomic-resolution structures from fragmented protein crystals with the cryoEM method MicroED.
Nat. Methods, 14, 2017
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7SXX
 | | Cryo-EM structure of the SARS-CoV-2 D614G mutant spike protein ectodomain bound to human ACE2 ectodomain (global refinement) | | 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, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Zhou, S, Tuttle, K.S, Kim, A, Li, W, Dimitrov, D.S, Subramaniam, S. | | Deposit date: | 2021-11-24 | | Release date: | 2021-12-29 | | Last modified: | 2022-01-05 | | Method: | ELECTRON MICROSCOPY (2.66 Å) | | Cite: | Structural analysis of receptor binding domain mutations in SARS-CoV-2 variants of concern that modulate ACE2 and antibody binding.
Cell Rep, 37, 2021
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5CSH
 | | Crystal Structure of CK2alpha with Compound 4 bound | | Descriptor: | 1-(2-chlorobiphenyl-4-yl)methanamine, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M. | | Deposit date: | 2015-07-23 | | Release date: | 2016-07-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
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2W1D
 | | Structure determination of Aurora Kinase in complex with inhibitor | | Descriptor: | 2-(1H-pyrazol-3-yl)-1H-benzimidazole, SERINE/THREONINE-PROTEIN KINASE 6 | | Authors: | Howard, S, Berdini, V, Boulstridge, J.A, Carr, M.G, Cross, D.M, Curry, J, Devine, L.A, Early, T.R, Fazal, L, Gill, A.L, Heathcote, M, Maman, S, Matthews, J.E, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Rees, D.C, Reule, M, Tisi, D, Williams, G, Vinkovic, M, Wyatt, P.G. | | Deposit date: | 2008-10-17 | | Release date: | 2009-01-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.97 Å) | | Cite: | Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity.
J.Med.Chem., 52, 2009
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5K9N
 | | Structural and Mechanistic Analysis of Drosophila melanogaster Polyamine N acetyltransferase, an enzyme that Catalyzes the Formation of N acetylagmatine | | Descriptor: | Polyamine N acetyltransferase | | Authors: | Dempsey, D.R, Nichols, D.A, Battistini, M.R, Pemberton, O, Ospina, S.R, Zhang, X, Carpenter, A.-M, Chen, Y, Merkler, D.J. | | Deposit date: | 2016-06-01 | | Release date: | 2017-06-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and Mechanistic Analysis of Drosophila melanogaster Agmatine N-Acetyltransferase, an Enzyme that Catalyzes the Formation of N-Acetylagmatine.
Sci Rep, 7, 2017
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5D6Q
 | | Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1-ethyl-3-{4-[(E)-2-(pyridin-3-yl)ethenyl]-5-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl}urea, DNA gyrase subunit B, ... | | Authors: | Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C. | | Deposit date: | 2015-08-12 | | Release date: | 2015-11-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Discovery of Azaindole Ureas as a Novel Class of Bacterial Gyrase B Inhibitors.
J.Med.Chem., 58, 2015
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1K0L
 | | Pseudomonas aeruginosa phbh R220Q free of p-OHB | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE, SULFATE ION, ... | | Authors: | Wang, J, Ortiz-Maldonado, M, Entsch, B, Ballou, D, Gatti, D.L. | | Deposit date: | 2001-09-19 | | Release date: | 2002-02-27 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Protein and ligand dynamics in 4-hydroxybenzoate hydroxylase.
Proc.Natl.Acad.Sci.USA, 99, 2002
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7TAS
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5D4L
 | | Structure of the apo form of CPII from Thiomonas intermedia K12, a nitrogen regulatory PII-like protein | | Descriptor: | Nitrogen regulatory protein P-II | | Authors: | Wheatley, N.M, Ngo, J, Cascio, D, Sawaya, M.R, Yeates, T.O. | | Deposit date: | 2015-08-08 | | Release date: | 2016-09-28 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A PII-Like Protein Regulated by Bicarbonate: Structural and Biochemical Studies of the Carboxysome-Associated CPII Protein.
J.Mol.Biol., 428, 2016
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2IA6
 | | Bypass of Major Benzopyrene-dG Adduct by Y-Family DNA Polymerase with Unique Structural Gap | | Descriptor: | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE, 1,2-ETHANEDIOL, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*TP*A)-3', ... | | Authors: | Bauer, J, Ling, H, Sayer, J.M, Xing, G, Yagi, H, Jerina, D.M. | | Deposit date: | 2006-09-07 | | Release date: | 2007-09-11 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A structural gap in Dpo4 supports mutagenic bypass of a major benzo[a]pyrene dG adduct in DNA through template misalignment.
Proc.Natl.Acad.Sci.Usa, 104, 2007
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6W7E
 | | K2P2.1 (TREK-1), 30 mM K+ | | Descriptor: | CADMIUM ION, DODECANE, HEXADECANE, ... | | Authors: | Lolicato, M, Minor, D.L. | | Deposit date: | 2020-03-19 | | Release date: | 2021-01-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.29 Å) | | Cite: | K 2P channel C-type gating involves asymmetric selectivity filter order-disorder transitions.
Sci Adv, 6, 2020
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6PB1
 | | Cryo-EM structure of Urocortin 1-bound Corticotropin-releasing factor 2 receptor in complex with Gs protein and Nb35 | | Descriptor: | CHOLESTEROL, Corticotropin-releasing factor receptor 2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Ma, S, Shen, Q, Zhao, L.-H, Mao, C, Zhou, X.E, Shen, D.-D, de Waal, P.W, Bi, P, Li, C, Jiang, Y, Wang, M.-W, Sexton, P.M, Wootten, D, Melcher, K, Zhang, Y, Xu, H.E. | | Deposit date: | 2019-06-12 | | Release date: | 2020-02-12 | | Last modified: | 2020-02-19 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Molecular Basis for Hormone Recognition and Activation of Corticotropin-Releasing Factor Receptors.
Mol.Cell, 77, 2020
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4RAO
 | | Aza-acyclic nucleoside phosphonates containing a second phosphonate group as inhibitors of the human, Plasmodium falciparum and vivax 6-oxopurine phosphoribosyltransferases and their pro-drugs as antimalarial agents | | Descriptor: | (2-{[2-(6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl](2-{[(E)-2-phosphonoethenyl]oxy}ethyl)amino}ethyl)phosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION | | Authors: | Keough, D.T, Hockova, D, Janeba, Z, Wang, T.-H, Naesens, L, Edstein, M.D, Chavchich, M, Guddat, L.W. | | Deposit date: | 2014-09-10 | | Release date: | 2015-01-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.871 Å) | | Cite: | Aza-acyclic Nucleoside Phosphonates Containing a Second Phosphonate Group As Inhibitors of the Human, Plasmodium falciparum and vivax 6-Oxopurine Phosphoribosyltransferases and Their Prodrugs As Antimalarial Agents.
J.Med.Chem., 58, 2015
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6CMS
 | | Closed structure of active SHP2 mutant E76K bound to SHP099 inhibitor | | Descriptor: | 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Padua, R.A.P, Sun, Y, Marko, I, Pitsawong, W, Kern, D. | | Deposit date: | 2018-03-06 | | Release date: | 2018-11-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Mechanism of activating mutations and allosteric drug inhibition of the phosphatase SHP2.
Nat Commun, 9, 2018
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3E7S
 | | Structure of bovine eNOS oxygenase domain with inhibitor AR-C95791 | | Descriptor: | ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE, HEME C, Nitric oxide synthase, ... | | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2008-08-18 | | Release date: | 2008-10-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
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7TAT
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1JL3
 | | Crystal Structure of B. subtilis ArsC | | Descriptor: | ARSENATE REDUCTASE, SULFATE ION | | Authors: | Su, X.-D, Bennett, M.S. | | Deposit date: | 2001-07-15 | | Release date: | 2001-10-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Bacillus subtilis arsenate reductase is structurally and functionally similar to low molecular weight protein tyrosine phosphatases.
Proc.Natl.Acad.Sci.USA, 98, 2001
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6PHL
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