1XX9
 
 | | Crystal Structure of the FXIa Catalytic Domain in Complex with EcotinM84R | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XI, Ecotin | | Authors: | Jin, L, Pandey, P, Babine, R.E, Gorga, J.C, Seidl, K.J, Gelfand, E, Weaver, D.T, Abdel-Meguid, S.S, Strickler, J.E. | | Deposit date: | 2004-11-04 | | Release date: | 2004-11-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structures of the FXIa Catalytic Domain in Complex with Ecotin Mutants Reveal Substrate-like Interactions
J.Biol.Chem., 280, 2005
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1XXF
 | | Crystal Structure of the FXIa Catalytic Domain in Complex with Ecotin Mutant (EcotinP) | | Descriptor: | Coagulation factor XI, Ecotin, SODIUM ION | | Authors: | Jin, L, Pandey, P, Babine, R.E, Gorga, J.C, Seidl, K.J, Gelfand, E, Weaver, D.T, Abdel-Meguid, S.S, Strickler, J.E. | | Deposit date: | 2004-11-04 | | Release date: | 2004-11-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal Structures of the FXIa Catalytic Domain in Complex with Ecotin Mutants Reveal Substrate-like Interactions
J.Biol.Chem., 280, 2005
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5ME9
 | | Crystal structure of yeast Cdt1 (N terminal and middle domain), form 1. | | Descriptor: | Cell division cycle protein CDT1, GLYCEROL, SULFATE ION | | Authors: | Pye, V.E, Frigola, J, Diffley, J.F.X, Cherepanov, P. | | Deposit date: | 2016-11-14 | | Release date: | 2017-05-17 | | Last modified: | 2017-07-05 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Cdt1 stabilizes an open MCM ring for helicase loading.
Nat Commun, 8, 2017
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1XXD
 | | Crystal Structure of the FXIa Catalytic Domain in Complex with mutated Ecotin | | Descriptor: | Coagulation factor XI, Ecotin | | Authors: | Jin, L, Pandey, P, Babine, R.E, Gorga, J.C, Seidl, K.J, Gelfand, E, Weaver, D.T, Abdel-Meguid, S.S, Strickler, J.E. | | Deposit date: | 2004-11-04 | | Release date: | 2004-11-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | Crystal Structures of the FXIa Catalytic Domain in Complex with Ecotin Mutants Reveal Substrate-like Interactions
J.Biol.Chem., 280, 2005
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3TOF
 | | HIV-1 Protease - Epoxydic Inhibitor Complex (pH 6 - Orthorombic Crystal form P212121) | | Descriptor: | (S)-N-((1R,2S)-1-((2R,3R)-3-benzyloxiran-2-yl)-1-hydroxy-3-phenylpropan-2-yl)-3-methyl-2-(2-phenoxyacetamido)butanamide, ACETATE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Geremia, S, Olajuyigbe, F.M, Ajele, J.O, Demitri, N, Randaccio, L, Wuerges, J, Benedetti, L, Campaner, P, Berti, F. | | Deposit date: | 2011-09-05 | | Release date: | 2012-08-15 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Developing HIV-1 Protease Inhibitors through Stereospecific Reactions in Protein Crystals.
Molecules, 21, 2016
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1AWW
 | | SH3 DOMAIN FROM BRUTON'S TYROSINE KINASE, NMR, 42 STRUCTURES | | Descriptor: | BRUTON'S TYROSINE KINASE | | Authors: | Hansson, H, Mattsson, P.T, Allard, P, Haapaniemi, P, Vihinen, M, Smith, C.I.E, Hard, T. | | Deposit date: | 1997-10-06 | | Release date: | 1998-04-08 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the SH3 domain from Bruton's tyrosine kinase.
Biochemistry, 37, 1998
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5MEC
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5MEA
 | | Crystal structure of yeast Cdt1 (N terminal and middle domain), form 2. | | Descriptor: | Cell division cycle protein CDT1, GLYCEROL, SULFATE ION | | Authors: | Pye, V.E, Frigola, J, Diffley, J.F.X, Cherepanov, P. | | Deposit date: | 2016-11-14 | | Release date: | 2017-05-17 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.152 Å) | | Cite: | Cdt1 stabilizes an open MCM ring for helicase loading.
Nat Commun, 8, 2017
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5MEB
 | | Crystal structure of yeast Cdt1 C-terminal domain | | Descriptor: | Cell division cycle protein CDT1, SULFATE ION | | Authors: | Pye, V.E, Frigola, J, Diffley, J.F.X, Cherepanov, P. | | Deposit date: | 2016-11-14 | | Release date: | 2017-05-17 | | Last modified: | 2017-07-05 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Cdt1 stabilizes an open MCM ring for helicase loading.
Nat Commun, 8, 2017
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1AWX
 | | SH3 DOMAIN FROM BRUTON'S TYROSINE KINASE, NMR, MINIMIZED AVERAGE STRUCTURE | | Descriptor: | BRUTON'S TYROSINE KINASE | | Authors: | Hansson, H, Mattsson, P.T, Allard, P, Haapaniemi, P, Vihinen, M, Smith, C.I.E, Hard, T. | | Deposit date: | 1997-10-06 | | Release date: | 1998-04-08 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the SH3 domain from Bruton's tyrosine kinase.
Biochemistry, 37, 1998
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1ZHP
 | | Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with Benzamidine (S434A-T475A-K505 Mutant) | | Descriptor: | BENZAMIDINE, GLUTATHIONE, coagulation factor XI | | Authors: | Jin, L, Pandey, P, Babine, R.E, Weaver, D.T, Abdel-Meguid, S.S, Strickler, J.E. | | Deposit date: | 2005-04-26 | | Release date: | 2005-09-20 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Mutation of surface residues to promote crystallization of activated factor XI as a complex with benzamidine: an essential step for the iterative structure-based design of factor XI inhibitors.
Acta Crystallogr.,Sect.D, 61, 2005
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1ZHR
 | | Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with Benzamidine (S434A-T475A-C482S-K437A Mutant) | | Descriptor: | BENZAMIDINE, coagulation factor XI | | Authors: | Jin, L, Pandey, P, Babine, R.E, Weaver, D.T, Abdel-Meguid, S.S, Strickler, J.E. | | Deposit date: | 2005-04-26 | | Release date: | 2005-09-20 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Mutation of surface residues to promote crystallization of activated factor XI as a complex with benzamidine: an essential step for the iterative structure-based design of factor XI inhibitors.
Acta Crystallogr.,Sect.D, 61, 2005
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1ZHM
 | | Crystal Structure of the Catalytic Domain of the Coagulation Factor XIa in Complex with Benzamidine (S434A-T475A-K437 Mutant) | | Descriptor: | BENZAMIDINE, GLUTATHIONE, coagulation factor XI | | Authors: | Jin, L, Pandey, P, Babine, R.E, Weaver, D.T, Abdel-Meguid, S.S, Strickler, J.E. | | Deposit date: | 2005-04-26 | | Release date: | 2005-09-20 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Mutation of surface residues to promote crystallization of activated factor XI as a complex with benzamidine: an essential step for the iterative structure-based design of factor XI inhibitors.
Acta Crystallogr.,Sect.D, 61, 2005
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6FMB
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5FRM
 | | Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI XZ384 (compound 4a) | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-azanylidene-N-[[2,4-bis(fluoranyl)phenyl]methyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide, 5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP *TP*CP*GP*CP*A)-3', ... | | Authors: | Maskell, D.P, Pye, V.E, Cherepanov, P. | | Deposit date: | 2015-12-18 | | Release date: | 2016-02-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | HIV-1 Integrase Strand Transfer Inhibitors with Reduced Susceptibility to Drug Resistant Mutant Integrases.
Acs Chem.Biol., 11, 2016
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1U59
 | | Crystal Structure of the ZAP-70 Kinase Domain in Complex with Staurosporine | | Descriptor: | STAUROSPORINE, Tyrosine-protein kinase ZAP-70 | | Authors: | Jin, L, Pluskey, S, Petrella, E.C, Cantin, S.M, Gorga, J.C, Rynkiewicz, M.J, Pandey, P, Strickler, J.E, Babine, R.E, Weaver, D.T, Seidl, K.J. | | Deposit date: | 2004-07-27 | | Release date: | 2004-08-17 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The Three-dimensional Structure of the ZAP-70 Kinase Domain in Complex with Staurosporine: IMPLICATIONS FOR THE DESIGN OF SELECTIVE INHIBITORS
J.Biol.Chem., 279, 2004
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5M9U
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5FRO
 | | Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI XZ446 (compound 4f) | | Descriptor: | 4-azanyl-N-[[2,4-bis(fluoranyl)phenyl]methyl]-1-oxidanyl-2-oxidanylidene-6-[2-(phenylsulfonyl)ethyl]-1,8-naphthyridine-3-carboxamide, 5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP *TP*CP*GP*CP*A)-3', 5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP *AP*CP*A)-3', ... | | Authors: | Maskell, D.P, Pye, V.E, Cherepanov, P. | | Deposit date: | 2015-12-18 | | Release date: | 2016-02-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.67 Å) | | Cite: | HIV-1 Integrase Strand Transfer Inhibitors with Reduced Susceptibility to Drug Resistant Mutant Integrases.
Acs Chem.Biol., 11, 2016
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5FRN
 | | Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI XZ419 (compound 4c) | | Descriptor: | 4-azanyl-N-[[2,4-bis(fluoranyl)phenyl]methyl]-1-oxidanyl-2-oxidanylidene-6-(5-oxidanylpentyl)-1,8-naphthyridine-3-carboxamide, 5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP *TP*CP*GP*CP*A)-3', 5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP *AP*CP*A)-3', ... | | Authors: | Maskell, D.P, Pye, V.E, Cherepanov, P. | | Deposit date: | 2015-12-18 | | Release date: | 2016-02-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | HIV-1 Integrase Strand Transfer Inhibitors with Reduced Susceptibility to Drug Resistant Mutant Integrases.
Acs Chem.Biol., 11, 2016
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7Z1Z
 | | MVV strand transfer complex (STC) intasome in complex with LEDGF/p75 at 3.5 A resolution | | Descriptor: | DNA (37-MER), DNA (5'-D(*GP*CP*TP*GP*CP*GP*AP*GP*AP*TP*CP*CP*GP*CP*TP*CP*CP*GP*GP*TP*G)-3'), DNA (5'-D(P*TP*TP*GP*AP*TP*TP*AP*GP*GP*GP*TP*G)-3'), ... | | Authors: | Pye, V.E, Ballandras-Colas, A, Cherepanov, P. | | Deposit date: | 2022-02-25 | | Release date: | 2022-05-11 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Multivalent interactions essential for lentiviral integrase function.
Nat Commun, 13, 2022
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4N2X
 | | Crystal Structure of DL-2-haloacid dehalogenase | | Descriptor: | DL-2-haloacid dehalogenase, GLYCEROL | | Authors: | Siwek, A, Omi, R, Hirotsu, K, Jitsumori, K, Esaki, N, Kurihara, T, Paneth, P. | | Deposit date: | 2013-10-06 | | Release date: | 2013-11-27 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Binding modes of DL-2-haloacid dehalogenase revealed by crystallography, modeling and isotope effects studies.
Arch.Biochem.Biophys., 540, 2013
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2A1E
 | | High resolution structure of HIV-1 PR with TS-126 | | Descriptor: | ACETATE ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Demitri, N, Geremia, S, Randaccio, L, Wuerges, J, Benedetti, F, Berti, F, Dinon, F, Campaner, P, Tell, G. | | Deposit date: | 2005-06-20 | | Release date: | 2006-02-21 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | A potent HIV protease inhibitor identified in an epimeric mixture by high-resolution protein crystallography.
Chemmedchem, 1, 2006
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5GNZ
 | | The M3 mutant structure of Bgl6 | | Descriptor: | Beta-glucosidase, GLYCEROL, beta-D-glucopyranose | | Authors: | Xie, W, Pang, P, Cao, L.C, Liu, Y.H, Wang, Z. | | Deposit date: | 2016-07-25 | | Release date: | 2017-04-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structures of a glucose-tolerant beta-glucosidase provide insights into its mechanism.
J. Struct. Biol., 198, 2017
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5CZ2
 | | Crystal structure of a two-domain fragment of MMTV integrase | | Descriptor: | MAGNESIUM ION, Pol polyprotein, ZINC ION | | Authors: | Cook, N, Ballandras-Colas, A, Engelman, A, Cherepanov, P. | | Deposit date: | 2015-07-31 | | Release date: | 2016-02-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | Cryo-EM reveals a novel octameric integrase structure for betaretroviral intasome function.
Nature, 530, 2016
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5GNY
 | | The structure of WT Bgl6 | | Descriptor: | Beta-glucosidase, beta-D-glucopyranose | | Authors: | Xie, W, Pang, P, Cao, L.C, Liu, Y.H, Wang, Z. | | Deposit date: | 2016-07-25 | | Release date: | 2017-04-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.105 Å) | | Cite: | Structures of a glucose-tolerant beta-glucosidase provide insights into its mechanism.
J. Struct. Biol., 198, 2017
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