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PDB: 201 件

1BIW
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BU of 1biw by Molmil
DESIGN AND SYNTHESIS OF CONFORMATIONALLY-CONSTRAINED MMP INHIBITORS
分子名称: CALCIUM ION, N1-HYDROXY-2-(3-HYDROXY-PROPYL)-3-ISOBUTYL-N4-[1-(2-METHOXY-ETHYL)-2-OXO-AZEPAN-3-YL]-SUCCINAMIDE, PROTEIN (STROMELYSIN-1 COMPLEX), ...
著者Natchus, M.G, Cheng, M, Wahl, C.T, Pikul, S, Almstead, N.G, Bradley, R.S, Taiwo, Y.O, Mieling, G.E, Dunaway, C.M, Snider, C.E, McIver, J.M, Barnett, B.L, McPhail, S.J, Anastasio, M.B, De, B.
登録日1998-06-19
公開日1999-07-16
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Design and synthesis of conformationally-constrained MMP inhibitors.
Bioorg.Med.Chem.Lett., 8, 1998
4J61
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Crystal structure of Ribonuclease A soaked in 40% Cyclopentanone: One of twelve in MSCS set
分子名称: Ribonuclease pancreatic, SULFATE ION, cyclopentanone
著者Kearney, B.M, Dechene, M, Swartz, P.D, Mattos, C.
登録日2013-02-11
公開日2014-01-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献DRoP: A program for analysis of water structure on protein surfaces
to be published
4J66
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Crystal structure of Ribonuclease A soaked in 25% Dimethyl sulfoxide: One of twelve in MSCS set
分子名称: DIMETHYL SULFOXIDE, Ribonuclease pancreatic, SULFATE ION
著者Kearney, B.M, Dechene, M, Swartz, P.D, Mattos, C.
登録日2013-02-11
公開日2014-01-22
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.039 Å)
主引用文献DRoP: A program for analysis of water structure on protein surfaces
to be published
4J5Z
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BU of 4j5z by Molmil
Crystal structure of Ribonuclease A in aqueous solution: One of twelve in MSCS set
分子名称: Ribonuclease pancreatic, SULFATE ION
著者Kearney, B.M, Dechene, M, Swartz, P.D, Mattos, C.
登録日2013-02-11
公開日2014-01-22
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.802 Å)
主引用文献DRoP: A program for analysis of water structure on protein surfaces
to be published
4J65
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BU of 4j65 by Molmil
Crystal structure of Ribonuclease A soaked in 40% Dimethylformamide: One of twelve in MSCS set
分子名称: DIMETHYLFORMAMIDE, Ribonuclease pancreatic, SULFATE ION
著者Kearney, B.M, Dechene, M, Swartz, P.D, Mattos, C.
登録日2013-02-11
公開日2014-01-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.958 Å)
主引用文献DRoP: A program for analysis of water structure on protein surfaces
to be published
4J67
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Crystal structure of Ribonuclease A soaked in 50% 1,6-Hexanediol: One of twelve in MSCS set
分子名称: HEXANE-1,6-DIOL, Ribonuclease pancreatic, SULFATE ION
著者Kearney, B.M, Dechene, M, Swartz, P.D, Mattos, C.
登録日2013-02-11
公開日2014-01-22
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献DRoP: A program for analysis of water structure on protein surfaces
to be published
4J6A
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BU of 4j6a by Molmil
Crystal structure of Ribonuclease A soaked in 40% 2,2,2-Trifluoroethanol: One of twelve in MSCS set
分子名称: Ribonuclease pancreatic, SULFATE ION, TRIFLUOROETHANOL
著者Kearney, B.M, Dechene, M, Swartz, P.D, Mattos, C.
登録日2013-02-11
公開日2014-01-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献DRoP: A program for analysis of water structure on protein surfaces
to be published
4J62
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Crystal structure of Ribonuclease A soaked in 40% Cyclohexanol: One of twelve in MSCS set
分子名称: CYCLOHEXANOL, Ribonuclease pancreatic, SULFATE ION
著者Kearney, B.M, Dechene, M, Swartz, P.D, Mattos, C.
登録日2013-02-11
公開日2014-01-22
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.039 Å)
主引用文献DRoP: A program for analysis of water structure on protein surfaces
to be published
4J69
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BU of 4j69 by Molmil
Crystal structure of Ribonuclease A soaked in 50% S,R,S-bisfuranol: One of twelve in MSCS set
分子名称: (3S,3aR,6aS)-hexahydrofuro[2,3-b]furan-3-ol, Ribonuclease pancreatic, SULFATE ION
著者Kearney, B.M, Dechene, M, Swartz, P.D, Mattos, C.
登録日2013-02-11
公開日2014-01-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.892 Å)
主引用文献DRoP: A program for analysis of water structure on protein surfaces
to be published
4J60
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BU of 4j60 by Molmil
Crystal structure of Ribonuclease A soaked in 25% Cyclopentanol: One of twelve in MSCS set
分子名称: Ribonuclease pancreatic, SULFATE ION, cyclopentanol
著者Kearney, B.M, Dechene, M, Swartz, P.D, Mattos, C.
登録日2013-02-11
公開日2014-01-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献DRoP: A program for analysis of water structure on protein surfaces
to be published
4J64
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BU of 4j64 by Molmil
Crystal structure of Ribonuclease A soaked in 40% Dioxane: One of twelve in MSCS set
分子名称: 1,4-DIETHYLENE DIOXIDE, Ribonuclease pancreatic, SULFATE ION
著者Kearney, B.M, Dechene, M, Swartz, P.D, Mattos, C.
登録日2013-02-11
公開日2014-01-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.781 Å)
主引用文献DRoP: A program for analysis of water structure on protein surfaces
to be published
4J68
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BU of 4j68 by Molmil
Crystal structure of Ribonuclease A soaked in 40% Isopropanol: One of twelve in MSCS set
分子名称: ISOPROPYL ALCOHOL, Ribonuclease pancreatic, SULFATE ION
著者Kearney, B.M, Dechene, M, Swartz, P.D, Mattos, C.
登録日2013-02-11
公開日2014-01-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.779 Å)
主引用文献DRoP: A program for analysis of water structure on protein surfaces
to be published
4J63
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BU of 4j63 by Molmil
Crystal structure of Ribonuclease A soaked in 40% Cyclohexanone: One of twelve in MSCS set
分子名称: CYCLOHEXANONE, Ribonuclease pancreatic, SULFATE ION
著者Kearney, B.M, Dechene, M, Swartz, P.D, Mattos, C.
登録日2013-02-11
公開日2014-01-22
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.039 Å)
主引用文献DRoP: A program for analysis of water structure on protein surfaces
to be published
1QQQ
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BU of 1qqq by Molmil
CRYSTAL STRUCTURE ANALYSIS OF SER254 MUTANT OF ESCHERICHIA COLI THYMIDYLATE SYNTHASE
分子名称: SULFATE ION, THYMIDYLATE SYNTHASE
著者Fantz, C, Shaw, D, Jennings, W, Forsthoefel, A, Kitchens, M, Phan, J, Minor, W, Lebioda, L, Berger, F.G, Spencer, H.T.
登録日1999-06-07
公開日1999-06-14
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Drug-resistant variants of Escherichia coli thymidylate synthase: effects of substitutions at Pro-254.
Mol.Pharmacol., 57, 2000
8PCD
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BU of 8pcd by Molmil
Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid, 150 ms
分子名称: BORATE ION, Beta-lactamase, SULFATE ION
著者Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C.
登録日2023-06-11
公開日2024-06-26
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification.
Commun Chem, 7, 2024
8PCM
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BU of 8pcm by Molmil
Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid and subsequent glycerol-boric acid-ester formation, 80 ms
分子名称: BORATE ION, Beta-lactamase, SULFATE ION, ...
著者Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C.
登録日2023-06-11
公開日2024-06-26
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification.
Commun Chem, 7, 2024
8PCR
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BU of 8pcr by Molmil
Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid and subsequent glycerol-boric acid-ester formation, 750 ms
分子名称: BORATE ION, Beta-lactamase, SULFATE ION, ...
著者Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C.
登録日2023-06-11
公開日2024-06-26
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification.
Commun Chem, 7, 2024
8PCE
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BU of 8pce by Molmil
Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid, 250 ms
分子名称: BORATE ION, Beta-lactamase, SULFATE ION
著者Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C.
登録日2023-06-11
公開日2024-06-26
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification.
Commun Chem, 7, 2024
8PCT
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BU of 8pct by Molmil
Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid and subsequent glycerol-boric acid-ester formation, 2500 ms
分子名称: BORATE ION, Beta-lactamase, SULFATE ION, ...
著者Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C.
登録日2023-06-11
公開日2024-06-26
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification.
Commun Chem, 7, 2024
8PCA
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BU of 8pca by Molmil
Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid, 50 ms
分子名称: Beta-lactamase, SULFATE ION
著者Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C.
登録日2023-06-11
公開日2024-06-26
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification.
Commun Chem, 7, 2024
8PCP
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BU of 8pcp by Molmil
Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid and subsequent glycerol-boric acid-ester formation, 250 ms
分子名称: BORATE ION, Beta-lactamase, SULFATE ION, ...
著者Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C.
登録日2023-06-11
公開日2024-06-26
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification.
Commun Chem, 7, 2024
8PCI
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BU of 8pci by Molmil
Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid, 5000 ms
分子名称: BORATE ION, Beta-lactamase, SULFATE ION
著者Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C.
登録日2023-06-11
公開日2024-06-26
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification.
Commun Chem, 7, 2024
8PCF
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BU of 8pcf by Molmil
Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid, 500 ms
分子名称: BORATE ION, Beta-lactamase, SULFATE ION
著者Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C.
登録日2023-06-11
公開日2024-06-26
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification.
Commun Chem, 7, 2024
8PCS
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BU of 8pcs by Molmil
Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid and subsequent glycerol-boric acid-ester formation, 1250 ms
分子名称: BORATE ION, Beta-lactamase, SULFATE ION, ...
著者Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C.
登録日2023-06-11
公開日2024-06-26
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification.
Commun Chem, 7, 2024
8PCK
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BU of 8pck by Molmil
Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid and subsequent glycerol-boric acid-ester formation, 0 ms
分子名称: BORATE ION, Beta-lactamase, SULFATE ION
著者Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C.
登録日2023-06-11
公開日2024-06-26
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification.
Commun Chem, 7, 2024

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