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PDB: 1323 件

2GRF
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Crystal structure of Scapharca inaequivalvis HBI, M37V mutant in the absence of ligand
分子名称: Globin-1, PROTOPORPHYRIN IX CONTAINING FE
著者Knapp, J.E, Pahl, R, Srajer, V, Royer Jr, W.E.
登録日2006-04-24
公開日2006-05-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Allosteric action in real time: Time-resolved crystallographic studies of a cooperative dimeric hemoglobin.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2R3W
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I84V HIV-1 protease in complex with a amino decorated pyrrolidine-based inhibitor
分子名称: CHLORIDE ION, N,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(4-AMINO-N-BENZYLBENZENESULFONAMIDE), Protease
著者Boettcher, J, Blum, A, Heine, A, Diederich, W.E, Klebe, G.
登録日2007-08-30
公開日2008-09-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Structural and Kinetic Analysis of Pyrrolidine-Based Inhibitors of the Drug-Resistant Ile84Val Mutant of HIV-1 Protease
J.Mol.Biol., 383, 2008
2R4W
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Ligand Migration and Binding in The Dimeric Hemoglobin of Scapharca Inaequivalvis: M37F with CO bound
分子名称: CARBON MONOXIDE, Globin-1, PROTOPORPHYRIN IX CONTAINING FE
著者Knapp, J.E, Royer Jr, W.E, Nienhaus, K, Palladino, P, Nienhaus, G.U.
登録日2007-09-02
公開日2007-11-27
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Ligand Migration and Binding in the Dimeric Hemoglobin of Scapharca inaequivalvis
Biochemistry, 46, 2007
2QNN
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HIV-1 protease in complex with a multiple decorated pyrrolidine-based inhibitor
分子名称: 4,4'-[(3S,4S)-pyrrolidine-3,4-diylbis({[4-(trifluoromethyl)benzyl]imino}sulfonyl)]dibenzamide, CHLORIDE ION, GLYCEROL, ...
著者Boettcher, J, Blum, A, Heine, A, Diederich, W.E, Klebe, G.
登録日2007-07-19
公開日2008-04-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Structure-Guided Design of C2-Symmetric HIV-1 Protease Inhibitors Based on a Pyrrolidine Scaffold.
J.Med.Chem., 51, 2008
1II3
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BU of 1ii3 by Molmil
Structure of S. nuclease quintuple mutant V23I/V66L/I72L/I92L/V99L
分子名称: STAPHYLOCOCCAL NUCLEASE
著者Chen, J, Lu, Z, Sakon, J, Stites, W.E.
登録日2001-04-20
公開日2003-06-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Proteins with simplified hydrophobic cores compared to other packing mutants.
Biophys.Chem., 110, 2004
2R38
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I84V HIV-1 protease mutant in complex with a carbamoyl decorated pyrrolidine-based inhibitor
分子名称: 4,4'-{(3S,4S)-PYRROLIDINE-3,4-DIYLBIS[(BENZYLIMINO)SULFONYL]}DIBENZAMIDE, CHLORIDE ION, Protease
著者Boettcher, J, Blum, A, Heine, A, Diederich, W.E, Klebe, G.
登録日2007-08-29
公開日2008-09-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Structural and Kinetic Analysis of Pyrrolidine-Based Inhibitors of the Drug-Resistant Ile84Val Mutant of HIV-1 Protease
J.Mol.Biol., 383, 2008
1NWN
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BU of 1nwn by Molmil
Crystals of CO-HbI in which the structure was converted to its unligated state, and then converted back to its original CO-ligated state.
分子名称: CARBON MONOXIDE, PROTOPORPHYRIN IX CONTAINING FE, globin I
著者Knapp, J.E, Royer JR, W.E.
登録日2003-02-06
公開日2003-08-26
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Ligand-linked structural transitions in crystals of a cooperative dimeric hemoglobin.
Biochemistry, 42, 2003
2R4Y
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Ligand Migration and Binding in The Dimeric Hemoglobin of Scapharca Inaequivalvis: H69V/I114M unliganded
分子名称: Globin-1, PROTOPORPHYRIN IX CONTAINING FE
著者Knapp, J.E, Royer Jr, W.E, Nienhaus, K, Palladino, P, Nienhaus, G.U.
登録日2007-09-02
公開日2007-11-27
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Ligand Migration and Binding in the Dimeric Hemoglobin of Scapharca inaequivalvis
Biochemistry, 46, 2007
2R4X
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Ligand Migration and Binding in The Dimeric Hemoglobin of Scapharca Inaequivalvis: H69V/I114M co complex
分子名称: CARBON MONOXIDE, Globin-1, PROTOPORPHYRIN IX CONTAINING FE
著者Knapp, J.E, Royer Jr, W.E, Nienhaus, K, Palladino, P, Nienhaus, G.U.
登録日2007-09-02
公開日2007-11-27
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Ligand Migration and Binding in the Dimeric Hemoglobin of Scapharca inaequivalvis
Biochemistry, 46, 2007
2SNM
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BU of 2snm by Molmil
IN A STAPHYLOCOCCAL NUCLEASE MUTANT THE SIDE-CHAIN of A LYSINE REPLACING VALINE 66 IS FULLY BURIED IN THE HYDROPHOBIC CORE
分子名称: CALCIUM ION, STAPHYLOCOCCAL NUCLEASE, THYMIDINE-3',5'-DIPHOSPHATE
著者Stites, W.E, Gittis, A.G, Lattman, E.E, Shortle, D.
登録日1991-04-03
公開日1993-01-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献In a staphylococcal nuclease mutant the side-chain of a lysine replacing valine 66 is fully buried in the hydrophobic core.
J.Mol.Biol., 221, 1991
1J6X
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CRYSTAL STRUCTURE OF HELICOBACTER PYLORI LUXS
分子名称: AUTOINDUCER-2 PRODUCTION PROTEIN LUXS, METHIONINE, ZINC ION
著者Lewis, H.A, Furlong, E.B, Bergseid, M.G, Sanderson, W.E, Buchanan, S.G.
登録日2001-05-14
公開日2001-06-08
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献A structural genomics approach to the study of quorum sensing: crystal structures of three LuxS orthologs.
Structure, 9, 2001
2R4Z
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Ligand Migration and Binding in The Dimeric Hemoglobin of Scapharca Inaequivalvis: Structure of I25W with CO
分子名称: CARBON MONOXIDE, Globin-1, PHOSPHATE ION, ...
著者Knapp, J.E, Royer Jr, W.E, Nienhaus, K, Palladino, P, Nienhaus, G.U.
登録日2007-09-02
公開日2007-11-27
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Ligand Migration and Binding in the Dimeric Hemoglobin of Scapharca inaequivalvis
Biochemistry, 46, 2007
1J6V
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BU of 1j6v by Molmil
CRYSTAL STRUCTURE OF D. RADIODURANS LUXS, C2
分子名称: AUTOINDUCER-2 PRODUCTION PROTEIN LUXS, ZINC ION
著者Lewis, H.A, Furlong, E.B, Bergseid, M.G, Sanderson, W.E, Buchanan, S.G.
登録日2001-05-14
公開日2001-06-08
最終更新日2017-10-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A structural genomics approach to the study of quorum sensing: crystal structures of three LuxS orthologs.
Structure, 9, 2001
1J6W
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BU of 1j6w by Molmil
CRYSTAL STRUCTURE OF HAEMOPHILUS INFLUENZAE LUXS
分子名称: AUTOINDUCER-2 PRODUCTION PROTEIN LUXS, METHIONINE, ZINC ION
著者Lewis, H.A, Furlong, E.B, Bergseid, M.G, Sanderson, W.E, Buchanan, S.G.
登録日2001-05-14
公開日2001-06-08
最終更新日2017-10-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A structural genomics approach to the study of quorum sensing: crystal structures of three LuxS orthologs.
Structure, 9, 2001
1AQV
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BU of 1aqv by Molmil
GLUTATHIONE S-TRANSFERASE IN COMPLEX WITH P-BROMOBENZYLGLUTATHIONE
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE S-TRANSFERASE, N-[(4S)-4-ammonio-4-carboxybutanoyl]-S-(4-bromobenzyl)-L-cysteinylglycine
著者Prade, L, Huber, R, Manoharan, T.H, Fahl, W.E, Reuter, W.
登録日1997-08-01
公開日1997-12-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Structures of class pi glutathione S-transferase from human placenta in complex with substrate, transition-state analogue and inhibitor.
Structure, 5, 1997
1AZB
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BU of 1azb by Molmil
STRUCTURE OF APO-AZURIN FROM ALCALIGENES DENITRIFICANS AT 1.8 ANGSTROMS RESOLUTION
分子名称: AZURIN, COPPER (II) ION, SULFATE ION
著者Baker, E.N, Shepard, W.E.B.
登録日1992-12-16
公開日1993-10-31
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of apo-azurin from Alcaligenes denitrificans at 1.8 A resolution.
Acta Crystallogr.,Sect.D, 49, 1993
1AO7
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BU of 1ao7 by Molmil
COMPLEX BETWEEN HUMAN T-CELL RECEPTOR, VIRAL PEPTIDE (TAX), AND HLA-A 0201
分子名称: BETA-2 MICROGLOBULIN, ETHYL MERCURY ION, HLA-A 0201, ...
著者Garboczi, D.N, Ghosh, P, Utz, U, Fan, Q.R, Biddison, W.E, Wiley, D.C.
登録日1997-07-21
公開日1997-09-17
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of the complex between human T-cell receptor, viral peptide and HLA-A2.
Nature, 384, 1996
1N17
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BU of 1n17 by Molmil
Structure and Dynamics of Thioguanine-modified Duplex DNA
分子名称: 5'-D(*GP*CP*TP*AP*AP*GP*(S6G)P*AP*AP*AP*GP*CP*C)-3', 5'-D(*GP*GP*CP*TP*TP*TP*CP*CP*TP*TP*AP*GP*C)-3'
著者Somerville, L, Krynetski, E.Y, Krynetskaia, N.F, Beger, R.D, Zhang, W, Marhefka, C.A, Evans, W.E, Kriwacki, R.W.
登録日2002-10-16
公開日2002-10-23
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structure and dynamics of thioguanine-modified duplex DNA
J.Biol.Chem., 278, 2003
7NGJ
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BU of 7ngj by Molmil
Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound
分子名称: 4-methyl-~{N}-(phenylmethyl)piperidine-1-carboxamide, HTH-type transcriptional regulator EthR
著者Tomlinson, C.W.E, Tatum, N.J, Pohl, E.
登録日2021-02-09
公開日2022-02-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Systematic exploration of the hydrophobic capacity of the EthR binding site for lead compound optimization
To Be Published
7NGD
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BU of 7ngd by Molmil
Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound
分子名称: 4-methyl-~{N}-(4-phenylbutyl)piperidine-1-carboxamide, HTH-type transcriptional regulator EthR
著者Tomlinson, C.W.E, Tatum, N.J, Pohl, E.
登録日2021-02-09
公開日2022-02-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Systematic exploration of the hydrophobic capacity of the EthR binding site for lead compound optimization
To Be Published
7NGO
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BU of 7ngo by Molmil
Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound
分子名称: HTH-type transcriptional regulator EthR, ~{N}-(furan-2-ylmethyl)-4-methyl-piperidine-1-carboxamide
著者Tomlinson, C.W.E, Tatum, N.J, Pohl, E.
登録日2021-02-09
公開日2022-02-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Systematic exploration of the hydrophobic capacity of the EthR binding site for lead compound optimization
To Be Published
7NGX
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BU of 7ngx by Molmil
Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound
分子名称: 4-methyl-~{N}-undecyl-pyridine-1-carboxamide, HTH-type transcriptional regulator EthR
著者Tomlinson, C.W.E, Tatum, N.J, Pohl, E.
登録日2021-02-09
公開日2022-02-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Systematic exploration of the hydrophobic capacity of the EthR binding site for lead compound optimization
To Be Published
7NGK
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BU of 7ngk by Molmil
Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound
分子名称: HTH-type transcriptional regulator EthR, SULFATE ION, ~{N}-cyclohexyl-4-methyl-piperidine-1-carboxamide
著者Tomlinson, C.W.E, Tatum, N.J, Pohl, E.
登録日2021-02-09
公開日2022-02-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Systematic exploration of the hydrophobic capacity of the EthR binding site for lead compound optimization
To Be Published
7NGT
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BU of 7ngt by Molmil
Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound
分子名称: HTH-type transcriptional regulator EthR, SULFATE ION, ~{N}-butyl-4-methyl-piperidine-1-carboxamide
著者Tomlinson, C.W.E, Tatum, N.J, Pohl, E.
登録日2021-02-09
公開日2022-02-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Systematic exploration of the hydrophobic capacity of the EthR binding site for lead compound optimization
To Be Published
7NGU
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BU of 7ngu by Molmil
Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound
分子名称: HTH-type transcriptional regulator EthR, SULFATE ION, ~{N}-(4-methoxyphenyl)-4-methyl-piperidine-1-carboxamide
著者Tomlinson, C.W.E, Tatum, N.J, Pohl, E.
登録日2021-02-09
公開日2022-02-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Systematic exploration of the hydrophobic capacity of the EthR binding site for lead compound optimization
To Be Published

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