7GH7
 
 | | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with TRY-UNI-714-22 (Mpro-x2912) | | Descriptor: | (2R)-2-(3-cyanophenyl)-N-(4-methylpyridin-3-yl)propanamide, 3C-like proteinase, DIMETHYL SULFOXIDE | | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-11 | | Release date: | 2023-11-08 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
|
|
7GD1
 | | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with BAR-COM-0f94fc3d-58 (Mpro-x10856) | | Descriptor: | (2R)-2-amino-2-(5-bromo-2-methoxyphenyl)-N-(4-methylpyridin-3-yl)acetamide, 3C-like proteinase, DIMETHYL SULFOXIDE | | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-11 | | Release date: | 2023-11-08 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
|
|
6H2B
 | | Structure of the Macrobrachium rosenbergii Nodavirus | | Descriptor: | CALCIUM ION, Capsid protein | | Authors: | Ho, K.H, Gabrielsen, M, Beh, P.L, Kueh, C.L, Thong, Q.X, Streetley, J, Tan, W.S, Bhella, D. | | Deposit date: | 2018-07-13 | | Release date: | 2018-10-31 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.28 Å) | | Cite: | Structure of the Macrobrachium rosenbergii nodavirus: A new genus within the Nodaviridae?
PLoS Biol., 16, 2018
|
|
6CIA
 | | Crystal structure of aldo-keto reductase from Klebsiella pneumoniae in complex with NADPH. | | Descriptor: | Aldo/keto reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Lipowska, J, Leung, E.S, Shabalin, I.G, Grabowski, M, Almo, S.C, Satchell, K.J, Joachimiak, A, Lewinski, K, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2018-02-23 | | Release date: | 2018-03-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of of aldo-keto reductase from Klebsiella pneumoniae in complex with NADPH.
to be published
|
|
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
|
|
1GVN
 | | Crystal Structure of the Plasmid Maintenance System epsilon/zeta: Meachnism of toxin inactivation and toxin function | | Descriptor: | EPSILON, SULFATE ION, ZETA | | Authors: | Meinhart, A, Alonso, J.C, Straeter, N, Saenger, W. | | Deposit date: | 2002-02-19 | | Release date: | 2003-01-29 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal Structure of the Plasmid Maintenance System Epsilon /Zeta : Functional Mechanism of Toxin Zeta and Inactivation by Epsilon 2 Zeta 2 Complex Formation
Proc.Natl.Acad.Sci.USA, 100, 2003
|
|
6CQD
 | | Crystal structure of HPK1 in complex with ATP analogue (AMPPNP) | | Descriptor: | MAGNESIUM ION, Mitogen-activated protein kinase kinase kinase kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Wu, P, Lehoux, I, Franke, Y, Mortara, K, Wang, W. | | Deposit date: | 2018-03-14 | | Release date: | 2018-12-19 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Hematopoietic Progenitor Kinase-1 Structure in a Domain-Swapped Dimer.
Structure, 27, 2019
|
|
1GI0
 | | A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE | | Descriptor: | 2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, BETA-TRYPSIN, CALCIUM ION, ... | | Authors: | Katz, B.A, Elrod, K, Luong, C, Rice, M, Mackman, R.L, Sprengeler, P.A, Spencer, J, Hatayte, J, Janc, J, Link, J, Litvak, J, Rai, R, Rice, K, Sideris, S, Verner, E, Young, W. | | Deposit date: | 2001-01-22 | | Release date: | 2002-01-22 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site.
J.Mol.Biol., 307, 2001
|
|
1GJW
 | | Thermotoga maritima maltosyltransferase complex with maltose | | Descriptor: | MALTODEXTRIN GLYCOSYLTRANSFERASE, PHOSPHATE ION, alpha-D-glucopyranose, ... | | Authors: | Roujeinikova, A, Raasch, C, Burke, J, Baker, P.J, Liebl, W, Rice, D.W. | | Deposit date: | 2001-08-03 | | Release date: | 2001-09-06 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Crystal Structure of Thermotoga Maritima Maltosyltransferase and its Implications for the Molecular Basis of the Novel Transfer Specificity
J.Mol.Biol., 312, 2001
|
|
1G7P
 | | CRYSTAL STRUCTURE OF MHC CLASS I H-2KB HEAVY CHAIN COMPLEXED WITH BETA-2 MICROGLOBULIN AND YEAST ALPHA-GLUCOSIDASE | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-GLUCOSIDASE P1, ... | | Authors: | Apostolopoulos, V, Yu, M, Corper, A.L, Li, W, McKenzie, I.F, Teyton, L, Wilson, I.A. | | Deposit date: | 2000-11-13 | | Release date: | 2002-07-17 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of a non-canonical high affinity peptide complexed with MHC class I: a novel use of alternative anchors.
J.Mol.Biol., 318, 2002
|
|
6CCR
 | | Selenomethionyl derivative of a GID4 fragment | | Descriptor: | Glucose-induced degradation protein 4 homolog, UNKNOWN ATOM OR ION | | Authors: | Dong, C, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-02-07 | | Release date: | 2018-04-04 | | Last modified: | 2018-04-25 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Molecular basis of GID4-mediated recognition of degrons for the Pro/N-end rule pathway.
Nat. Chem. Biol., 14, 2018
|
|
6CF6
 | | RNF146 TBM-Tankyrase ARC2-3 complex | | Descriptor: | RNF146, Tankyrase-1 | | Authors: | Da Rosa, P.A, Xu, W. | | Deposit date: | 2018-02-13 | | Release date: | 2018-04-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Structural basis for tankyrase-RNF146 interaction reveals noncanonical tankyrase-binding motifs.
Protein Sci., 27, 2018
|
|
1G1N
 | | NICKED DECAMER DNA WITH PEG6 TETHER, NMR, 30 STRUCTURES | | Descriptor: | 5'-D(*GP*TP*CP*GP*C)-3', 5'-D(P*GP*CP*GP*AP*CP*AP*AP*CP*GP*C)-3', 5'-D(P*GP*CP*GP*TP*T)-3', ... | | Authors: | Bocian, W, Kozerski, L, Mazurek, A.P, Kawecki, R. | | Deposit date: | 2000-10-13 | | Release date: | 2001-03-14 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | A nicked duplex decamer DNA with a PEG(6) tether.
Nucleic Acids Res., 29, 2001
|
|
1KM3
 | |
6CU7
 | | Alpha Synuclein fibril formed by full length protein - Rod Polymorph | | Descriptor: | Alpha-synuclein | | Authors: | Li, B, Hatami, A, Ge, P, Murray, K.A, Sheth, P, Zhang, M, Nair, G, Sawaya, M.R, Zhu, C, Broad, M, Shin, W.S, Ye, S, John, V, Eisenberg, D.S, Zhou, Z.H, Jiang, L. | | Deposit date: | 2018-03-23 | | Release date: | 2018-09-12 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Cryo-EM of full-length alpha-synuclein reveals fibril polymorphs with a common structural kernel.
Nat Commun, 9, 2018
|
|
1GHZ
 | | A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE | | Descriptor: | 2-(2-OXO-1,2-DIHYDRO-PYRIDIN-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, BETA-TRYPSIN, CALCIUM ION, ... | | Authors: | Katz, B.A, Elrod, K, Luong, C, Rice, M, Mackman, R.L, Sprengeler, P.A, Spencer, J, Hatayte, J, Janc, J, Link, J, Litvak, J, Rai, R, Rice, K, Sideris, S, Verner, E, Young, W. | | Deposit date: | 2001-01-22 | | Release date: | 2002-01-22 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site.
J.Mol.Biol., 307, 2001
|
|
1GI5
 | | A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE | | Descriptor: | 2-(2-HYDROXY-5-METHOXY-PHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, BETA-TRYPSIN, CALCIUM ION, ... | | Authors: | Katz, B.A, Elrod, K, Luong, C, Rice, M, Mackman, R.L, Sprengeler, P.A, Spencer, J, Hatayte, J, Janc, J, Link, J, Litvak, J, Rai, R, Rice, K, Sideris, S, Verner, E, Young, W. | | Deposit date: | 2001-01-22 | | Release date: | 2002-01-22 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site.
J.Mol.Biol., 307, 2001
|
|
6BMD
 | |
6BHH
 | | Crystal structure of SETDB1 with a modified H3 peptide | | Descriptor: | Histone H3.1, Histone-lysine N-methyltransferase SETDB1, SULFATE ION, ... | | Authors: | Qin, S, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-10-30 | | Release date: | 2017-11-22 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | H3K14ac is linked to methylation of H3K9 by the triple Tudor domain of SETDB1.
Nat Commun, 8, 2017
|
|
6BHE
 | | Crystal structure of SETDB1 with a modified H3 peptide | | Descriptor: | Histone H3.1, Histone-lysine N-methyltransferase SETDB1, UNKNOWN ATOM OR ION | | Authors: | Qin, S, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-10-30 | | Release date: | 2017-12-06 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | H3K14ac is linked to methylation of H3K9 by the triple Tudor domain of SETDB1.
Nat Commun, 8, 2017
|
|
1KFQ
 | | Crystal Structure of Exocytosis-Sensitive Phosphoprotein, pp63/parafusin (Phosphoglucomutse) from Paramecium. OPEN FORM | | Descriptor: | CALCIUM ION, phosphoglucomutase 1 | | Authors: | Mueller, S, Diederichs, K, Breed, J, Kissmehl, R, Hauser, K, Plattner, H, Welte, W. | | Deposit date: | 2001-11-22 | | Release date: | 2002-01-16 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure analysis of the exocytosis-sensitive phosphoprotein, pp63/parafusin (phosphoglucomutase), from Paramecium reveals significant conformational variability.
J.Mol.Biol., 315, 2002
|
|
6BIG
 | | Crystal structure of cobalt-substituted Synechocystis ACO | | Descriptor: | Apocarotenoid-15,15'-oxygenase, CHLORIDE ION, COBALT (II) ION | | Authors: | Sui, X, Shi, W, Kiser, P.D. | | Deposit date: | 2017-11-02 | | Release date: | 2018-07-04 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Preparation and characterization of metal-substituted carotenoid cleavage oxygenases.
J. Biol. Inorg. Chem., 23, 2018
|
|
6BL2
 | | Novel Modes of Inhibition of Wild-Type IDH1: Direct Covalent Modification of His315 with Cmpd15 | | Descriptor: | 3-[(6aS,7S,9S,10aS)-9-cyano-7-methyl-8-oxo-2-(phenylamino)-6,6a,7,8,9,10-hexahydrobenzo[h]quinazolin-10a(5H)-yl]benzoic acid, CALCIUM ION, ISOCITRIC ACID, ... | | Authors: | Jakob, C.G, Qiu, W. | | Deposit date: | 2017-11-09 | | Release date: | 2018-07-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Novel Modes of Inhibition of Wild-Type Isocitrate Dehydrogenase 1 (IDH1): Direct Covalent Modification of His315.
J. Med. Chem., 61, 2018
|
|
1GQF
 | |
1KJT
 | | Crystal Structure of the GABA(A) Receptor Associated Protein, GABARAP | | Descriptor: | GABARAP, NICKEL (II) ION, SODIUM ION | | Authors: | Bavro, V.N, Sola, M, Bracher, A, Kneussel, M, Betz, H, Weissenhorn, W. | | Deposit date: | 2001-12-05 | | Release date: | 2002-04-24 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the GABA(A)-receptor-associated protein, GABARAP.
EMBO Rep., 3, 2002
|
|
