1COV
 
 | | COXSACKIEVIRUS B3 COAT PROTEIN | | Descriptor: | COXSACKIEVIRUS COAT PROTEIN, MYRISTIC ACID, PALMITIC ACID | | Authors: | Muckelbauer, J.K, Rossmann, M.G. | | Deposit date: | 1994-10-19 | | Release date: | 1996-03-08 | | Last modified: | 2023-04-19 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structure determination of coxsackievirus B3 to 3.5 A resolution.
Acta Crystallogr.,Sect.D, 51, 1995
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3V45
 | | Crystal Structure of de novo designed serine hydrolase OSH55, Northeast Structural Genomics Consortium Target OR130 | | Descriptor: | CHLORIDE ION, SODIUM ION, Serine hydrolase OSH55 | | Authors: | Kuzin, A, Su, M, Seetharaman, J, Maglaqui, M, Xiao, R, Kohan, E, Rajagopalan, S, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2011-12-14 | | Release date: | 2012-01-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Design of activated serine-containing catalytic triads with atomic-level accuracy.
Nat.Chem.Biol., 10, 2014
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5GMP
 | | Crystal structure of EGFR 696-1022 T790M in complex with XTF-262 | | Descriptor: | Epidermal growth factor receptor, N-[3-[2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-5-methyl-7-oxidanylidene-pyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide | | Authors: | Yan, X.E, Yun, C.H. | | Deposit date: | 2016-07-14 | | Release date: | 2017-06-28 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.797 Å) | | Cite: | A structure-guided optimization of pyrido[2,3-d]pyrimidin-7-ones as selective inhibitors of EGFR(L858R/T790M) mutant with improved pharmacokinetic properties.
Eur J Med Chem, 126, 2017
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6NLR
 | | Crystal structure of the putative histidinol phosphatase hisK from Listeria monocytogenes with trinuclear metals determined by PIXE revealing sulphate ion in active site. Based on PIXE analysis and original date from 3DCP | | Descriptor: | CALCIUM ION, COBALT (II) ION, FE (III) ION, ... | | Authors: | Snell, E.H, Garman, E.F, Lowe, E.D. | | Deposit date: | 2019-01-09 | | Release date: | 2019-12-25 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | High-Throughput PIXE as an Essential Quantitative Assay for Accurate Metalloprotein Structural Analysis: Development and Application.
J.Am.Chem.Soc., 142, 2020
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3VA7
 | | Crystal structure of the Kluyveromyces lactis Urea Carboxylase | | Descriptor: | 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL, GLYCEROL, KLLA0E08119p, ... | | Authors: | Fan, C, Xiang, S. | | Deposit date: | 2011-12-29 | | Release date: | 2012-02-01 | | Last modified: | 2013-07-17 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of urea carboxylase provides insights into the carboxyltransfer reaction
J.Biol.Chem., 287, 2012
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7L0N
 | | Circulating SARS-CoV-2 spike N439K variants maintain fitness while evading antibody-mediated immunity | | Descriptor: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | | Authors: | Snell, G, Czudnochowski, N, Dillen, J, Nix, J.C, Croll, T.I, Corti, D. | | Deposit date: | 2020-12-11 | | Release date: | 2021-02-17 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | Circulating SARS-CoV-2 spike N439K variants maintain fitness while evading antibody-mediated immunity.
Cell, 184, 2021
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7VRE
 | | The crystal structure of EGFR T790M/C797S with the inhibitor HCD2892 | | Descriptor: | 5-chloranyl-N-[5-chloranyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-(1-ethylsulfonylindol-3-yl)pyrimidin-2-amine, Epidermal growth factor receptor | | Authors: | Zhu, S.J. | | Deposit date: | 2021-10-22 | | Release date: | 2022-06-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.507 Å) | | Cite: | Conformational Constrained 4-(1-Sulfonyl-3-indol)yl-2-phenylaminopyrimidine Derivatives as New Fourth-Generation Epidermal Growth Factor Receptor Inhibitors Targeting T790M/C797S Mutations.
J.Med.Chem., 65, 2022
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7VRA
 | | The crystal structure of EGFR T790M/C797S with the inhibitor HC5476 | | Descriptor: | 25-chloro-11-(ethylsulfonyl)-44-morpholino-11H-5,12-dioxa-3-aza-1(3,6)-indola-2(4,2)-pyrimidina-4(1,3)-benzenacyclododecaphane, Epidermal growth factor receptor | | Authors: | Zhu, S.J. | | Deposit date: | 2021-10-22 | | Release date: | 2022-06-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Conformational Constrained 4-(1-Sulfonyl-3-indol)yl-2-phenylaminopyrimidine Derivatives as New Fourth-Generation Epidermal Growth Factor Receptor Inhibitors Targeting T790M/C797S Mutations.
J.Med.Chem., 65, 2022
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1VCQ
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1VCP
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3BK9
 | | H55A mutant of tryptophan 2,3-dioxygenase from Xanthomonas campestris | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, TRYPTOPHAN, Tryptophan 2,3-dioxygenase | | Authors: | Bruckmann, C, Mowat, C.G. | | Deposit date: | 2007-12-06 | | Release date: | 2008-09-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Histidine 55 of tryptophan 2,3-dioxygenase is not an active site base but regulates catalysis by controlling substrate binding
Biochemistry, 47, 2008
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2YGW
 | | Crystal structure of human MCD | | Descriptor: | 1,2-ETHANEDIOL, MALONYL-COA DECARBOXYLASE, MITOCHONDRIAL, ... | | Authors: | Vollmar, M, Puranik, S, Krojer, T, Savitsky, P, Allerston, C, Yue, W.W, Chaikuad, A, von Delft, F, Gileadi, O, Kavanagh, K, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Oppermann, U. | | Deposit date: | 2011-04-21 | | Release date: | 2012-02-15 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal Structures of Malonyl-Coenzyme a Decarboxylase Provide Insights Into its Catalytic Mechanism and Disease-Causing Mutations.
Structure, 21, 2013
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7ER2
 | | Crystal structure of EGFR 696-1022 T790M/C797S in complex with LS_2_40 | | Descriptor: | 5-chloranyl-N2-[3-chloranyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-N4-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine, Epidermal growth factor receptor | | Authors: | Zhu, S.J, Yun, C.H. | | Deposit date: | 2021-05-05 | | Release date: | 2022-04-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.662 Å) | | Cite: | Optimization of Brigatinib as New Wild-Type Sparing Inhibitors of EGFR T790M/C797S Mutants.
Acs Med.Chem.Lett., 13, 2022
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7X2H
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7XD2
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4TUW
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4TV0
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8GK7
 | | MsbA bound to cerastecin C | | Descriptor: | 2-[(4-butylbenzene-1-sulfonyl)amino]-5-[(3-{4-[(4-butylbenzene-1-sulfonyl)amino]-3-carboxyanilino}-3-oxopropyl)carbamoyl]benzoic acid, Lipid A export ATP-binding/permease protein MsbA, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Chen, Y, Klein, D. | | Deposit date: | 2023-03-17 | | Release date: | 2024-04-24 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.32 Å) | | Cite: | Cerastecins inhibit membrane lipooligosaccharide transport in drug-resistant Acinetobacter baumannii.
Nat Microbiol, 9, 2024
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4JVV
 | | Crystal structure of the evolved variant of the computationally designed serine hydrolase, OSH55.4_H1, covalently bound with diisopropyl fluorophosphate (DFP), Northeast Structural Genomics Consortium (NESG) Target OR273 | | Descriptor: | evolved variant of the computationally designed serine hydrolase | | Authors: | Kuzin, A, Lew, S, Rajagopalan, S, Seetharaman, J, Tong, S, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2013-03-26 | | Release date: | 2013-04-24 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.288 Å) | | Cite: | Design of activated serine-containing catalytic triads with atomic-level accuracy.
Nat.Chem.Biol., 10, 2014
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8H08
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8H07
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4JCA
 | | Crystal Structure of the apo form of the evolved variant of the computationally designed serine hydrolase, OSH55.4_H1. Northeast Structural Genomics Consortium (NESG) Target OR273 | | Descriptor: | CITRIC ACID, RUBIDIUM ION, serine hydrolase | | Authors: | Kuzin, A.P, Lew, S, Rajagopalan, S, Seetharaman, J, Tong, S, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2013-02-21 | | Release date: | 2013-03-20 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.411 Å) | | Cite: | Design of activated serine-containing catalytic triads with atomic-level accuracy.
Nat.Chem.Biol., 10, 2014
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4JLL
 | | Crystal Structure of the evolved variant of the computationally designed serine hydrolase, OSH55.4_H1 covalently bound with FP-alkyne, Northeast Structural Genomics Consortium (NESG) Target OR273 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Kuzin, A, Lew, S, Rajagopalan, S, Seetharaman, J, Tong, S, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2013-03-12 | | Release date: | 2013-04-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Design of activated serine-containing catalytic triads with atomic-level accuracy.
Nat.Chem.Biol., 10, 2014
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1GQ2
 | | Malic Enzyme from Pigeon Liver | | Descriptor: | CHLORIDE ION, MALIC ENZYME, MANGANESE (II) ION, ... | | Authors: | Yang, Z, Zhang, H, Liang, T. | | Deposit date: | 2001-11-19 | | Release date: | 2002-05-23 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural Studies of the Pigeon Cytosolic Nadp+ -Dependent Malic Enzyme
Protein Sci., 11, 2002
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1FVO
 | | CRYSTAL STRUCTURE OF HUMAN ORNITHINE TRANSCARBAMYLASE COMPLEXED WITH CARBAMOYL PHOSPHATE | | Descriptor: | ORNITHINE TRANSCARBAMYLASE, PHOSPHORIC ACID MONO(FORMAMIDE)ESTER | | Authors: | Shi, D, Morizono, H, Yu, X, Allewell, N.M, Tuchman, M. | | Deposit date: | 2000-09-20 | | Release date: | 2001-04-04 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Human ornithine transcarbamylase: crystallographic insights into substrate recognition and conformational changes.
Biochem.J., 354, 2001
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