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PDB: 1641 件
1V2K
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BU of 1v2k by Molmil
Factor XA specific Inhibitor in complex with bovine trypsin variant X(triple.Glu)bT.D2
分子名称: CALCIUM ION, SULFATE ION, Trypsin, ...
著者Rauh, D, Klebe, G, Stubbs, M.T.
登録日2003-10-17
公開日2004-06-01
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Understanding protein-ligand interactions: the price of protein flexibility
J.Mol.Biol., 335, 2004
1V2Q
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BU of 1v2q by Molmil
Trypsin inhibitor in complex with bovine trypsin variant X(SSWI)bT.B4
分子名称: CALCIUM ION, METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE, SULFATE ION, ...
著者Rauh, D, Klebe, G, Stubbs, M.T.
登録日2003-10-17
公開日2004-06-01
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Understanding protein-ligand interactions: the price of protein flexibility
J.Mol.Biol., 335, 2004
1V2V
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BU of 1v2v by Molmil
Benzamidine in complex with bovine trypsin variant X(SSAI)bT.C1
分子名称: BENZAMIDINE, CALCIUM ION, SULFATE ION, ...
著者Rauh, D, Klebe, G, Stubbs, M.T.
登録日2003-10-17
公開日2004-06-01
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Understanding protein-ligand interactions: the price of protein flexibility
J.Mol.Biol., 335, 2004
1V2N
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BU of 1v2n by Molmil
Potent factor XA inhibitor in complex with bovine trypsin variant X(99/175/190)bT
分子名称: 2,7-BIS-(4-AMIDINOBENZYLIDENE)-CYCLOHEPTAN-1-ONE, CALCIUM ION, Trypsin
著者Rauh, D, Klebe, G, Stubbs, M.T.
登録日2003-10-17
公開日2004-06-01
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Understanding protein-ligand interactions: the price of protein flexibility
J.Mol.Biol., 335, 2004
1V2T
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BU of 1v2t by Molmil
Trypsin inhibitor in complex with bovine trypsin variant X(SSFI.Glu)bT.B4
分子名称: CALCIUM ION, METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE, SULFATE ION, ...
著者Rauh, D, Klebe, G, Stubbs, M.T.
登録日2003-10-17
公開日2004-06-01
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Understanding protein-ligand interactions: the price of protein flexibility
J.Mol.Biol., 335, 2004
1V2M
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BU of 1v2m by Molmil
Benzamidine in complex with bovine trypsin variant X(triple.Glu)bT.A1
分子名称: BENZAMIDINE, SULFATE ION, Trypsin
著者Rauh, D, Klebe, G, Stubbs, M.T.
登録日2003-10-17
公開日2004-06-01
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Understanding protein-ligand interactions: the price of protein flexibility
J.Mol.Biol., 335, 2004
1V2U
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BU of 1v2u by Molmil
Benzamidine in complex with bovine trypsin varinat X(SSAI)bT.D1
分子名称: BENZAMIDINE, CALCIUM ION, SULFATE ION, ...
著者Rauh, D, Klebe, G, Stubbs, M.T.
登録日2003-10-17
公開日2004-06-01
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Understanding protein-ligand interactions: the price of protein flexibility
J.Mol.Biol., 335, 2004
1V2L
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BU of 1v2l by Molmil
Benzamidine in complex with bovine trypsin variant X(triple.Glu)bT.D1
分子名称: BENZAMIDINE, CALCIUM ION, SULFATE ION, ...
著者Rauh, D, Klebe, G, Stubbs, M.T.
登録日2003-10-17
公開日2004-06-01
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Understanding protein-ligand interactions: the price of protein flexibility
J.Mol.Biol., 335, 2004
1V2P
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BU of 1v2p by Molmil
Trypsin inhibitor in complex with bovine trypsin variant X(SSYI)bT.A4
分子名称: CALCIUM ION, METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE, SULFATE ION, ...
著者Rauh, D, Klebe, G, Stubbs, M.T.
登録日2003-10-17
公開日2004-06-01
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Understanding protein-ligand interactions: the price of protein flexibility
J.Mol.Biol., 335, 2004
1V2W
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BU of 1v2w by Molmil
Trypsin inhibitor in complex with bovine trypsin variant X(SSAI)bT.B4
分子名称: CALCIUM ION, METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE, SULFATE ION, ...
著者Rauh, D, Klebe, G, Stubbs, M.T.
登録日2003-10-17
公開日2004-06-01
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Understanding protein-ligand interactions: the price of protein flexibility
J.Mol.Biol., 335, 2004
4E7R
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BU of 4e7r by Molmil
Thrombin in complex with 3-amidinophenylalanine inhibitor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[(2S)-3-[4-(2-aminoethyl)piperidin-1-yl]-2-{[(2',4'-dichlorobiphenyl-3-yl)sulfonyl]amino}-3-oxopropyl]benzenecarboximidamide, GLYCEROL, ...
著者Ruehmann, E, Heine, A, Klebe, G.
登録日2012-03-19
公開日2012-06-20
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献New 3-amidinophenylalanine-derived inhibitors of matriptase
MEDCHEMCOMM, 3, 2012
1V2R
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BU of 1v2r by Molmil
Trypsin inhibitor in complex with bovine trypsin variant X(SSRI)bT.B4
分子名称: CALCIUM ION, METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE, SULFATE ION, ...
著者Rauh, D, Klebe, G, Stubbs, M.T.
登録日2003-10-17
公開日2004-06-01
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Understanding protein-ligand interactions: the price of protein flexibility
J.Mol.Biol., 335, 2004
1V2S
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BU of 1v2s by Molmil
Benzamidine in complex with bovine trypsin variant X(SSFI.Glu)bT.D1
分子名称: BENZAMIDINE, CALCIUM ION, SULFATE ION, ...
著者Rauh, D, Klebe, G, Stubbs, M.T.
登録日2003-10-17
公開日2004-06-01
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Understanding protein-ligand interactions: the price of protein flexibility
J.Mol.Biol., 335, 2004
1V2J
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BU of 1v2j by Molmil
BENZAMIDINE IN COMPLEX WITH BOVINE TRYPSIN VARIANT X(SSRI)bT.C1
分子名称: BENZAMIDINE, CALCIUM ION, SULFATE ION, ...
著者Rauh, D, Klebe, G, Stubbs, M.T.
登録日2003-10-17
公開日2004-06-01
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Understanding protein-ligand interactions: the price of protein flexibility
J.Mol.Biol., 335, 2004
1V2O
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BU of 1v2o by Molmil
Trypsin inhibitor in complex with bovine trypsin variant X(SSYI)bT.B4
分子名称: CALCIUM ION, METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE, SULFATE ION, ...
著者Rauh, D, Klebe, G, Stubbs, M.T.
登録日2003-10-17
公開日2004-06-01
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Understanding protein-ligand interactions: the price of protein flexibility
J.Mol.Biol., 335, 2004
7NRG
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BU of 7nrg by Molmil
Crystal structure of a shortened IpgC variant in complex with (1R)-2-amino-1-(4-fluorophenyl)ethanol
分子名称: (1R)-2-amino-1-(4-fluorophenyl)ethanol, CHLORIDE ION, Chaperone protein IpgC, ...
著者Gardonyi, M, Heine, A, Klebe, G.
登録日2021-03-03
公開日2022-03-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Crystal structure of a shortened IpgC variant in complex with (1R)-2-amino-1-(4-fluorophenyl)ethanol
To Be Published
7O04
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BU of 7o04 by Molmil
Crystal structure of a shortened IpgC variant in complex with [(2-chloro-5-nitrophenyl)methyl](methyl)amine
分子名称: 1-(2-chloro-5-nitrophenyl)-N-methylmethanamine, CHLORIDE ION, Chaperone protein IpgC, ...
著者Gardonyi, M, Heine, A, Klebe, G.
登録日2021-03-25
公開日2022-04-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Crystal structure of a shortened IpgC variant in complex with [(2-chloro-5-nitrophenyl)methyl](methyl)amine
To be published
7O6S
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BU of 7o6s by Molmil
Crystal structure of a shortened IpgC variant in complex with N-(2H-1,3-benzodioxol-5-ylmethyl)cyclopentanamine
分子名称: CHLORIDE ION, Chaperone protein IpgC, DI(HYDROXYETHYL)ETHER, ...
著者Gardonyi, M, Heine, A, Klebe, G.
登録日2021-04-12
公開日2022-04-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Crystal structure of a shortened IpgC variant in complex with N-(2H-1,3-benzodioxol-5-ylmethyl)cyclopentanamine
To be published
7P42
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BU of 7p42 by Molmil
Crystal structure of IpgC in complex with a follow-up compound based on J2
分子名称: 2-(4,6-dimethylpyrimidin-2-yl)-3H-isoindol-1-imine, CHLORIDE ION, Chaperone protein IpgC, ...
著者Gardonyi, M, Heine, A, Klebe, G.
登録日2021-07-09
公開日2022-07-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of IpgC in complex with a follow-up compound based on J2
To be published
7OWV
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BU of 7owv by Molmil
Crystal structure of IpgC in complex with a follow-up compound based on J20
分子名称: 3-(4-chlorophenyl)-5-methylsulfanyl-1~{H}-pyrazole-4-carbonitrile, CHLORIDE ION, Chaperone protein IpgC, ...
著者Gardonyi, M, Heine, A, Klebe, G.
登録日2021-06-19
公開日2022-07-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Crystal structure of IpgC in complex with a follow-up compound based on J20
To be published
7PE0
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BU of 7pe0 by Molmil
Crystal structure of IpgC in complex with J52
分子名称: 2-(1H-imidazol-1-yl)-N-(trans-4-methylcyclohexyl)acetamide, CHLORIDE ION, Chaperone protein IpgC, ...
著者Gardonyi, M, Heine, A, Klebe, G.
登録日2021-08-09
公開日2022-08-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of IpgC in complex with J52
To be published
7PEF
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BU of 7pef by Molmil
Crystal structure of IpgC in complex with DMSO
分子名称: CHLORIDE ION, Chaperone protein IpgC, DIMETHYL SULFOXIDE, ...
著者Gardonyi, M, Heine, A, Klebe, G.
登録日2021-08-10
公開日2022-08-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Crystal structure of IpgC in complex with DMSO
To be published
1ENU
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BU of 1enu by Molmil
A new target for shigellosis: Rational design and crystallographic studies of inhibitors of tRNA-guanine transglycosylase
分子名称: 4-AMINOPHTHALHYDRAZIDE, TRNA-GUANINE TRANSGLYCOSYLASE, ZINC ION
著者Gradler, U, Gerber, H.D, Goodenough-Lashua, D.M, Garcia, G.A, Ficner, R, Reuter, K, Stubbs, M.T, Klebe, G.
登録日2000-03-21
公開日2000-04-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献A new target for shigellosis: rational design and crystallographic studies of inhibitors of tRNA-guanine transglycosylase.
J.Mol.Biol., 306, 2001
1EFZ
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BU of 1efz by Molmil
MUTAGENESIS AND CRYSTALLOGRAPHIC STUDIES OF ZYMOMONAS MOBILIS TRNA-GUANINE TRANSGLYCOSYLASE TO ELUCIDATE THE ROLE OF SERINE 103 FOR ENZYMATIC ACTIVITY
分子名称: 7-DEAZA-7-AMINOMETHYL-GUANINE, TRNA-GUANINE TRANSGLYCOSYLASE, ZINC ION
著者Gradler, U, Ficner, R, Garcia, G.A, Stubbs, M.T, Klebe, G, Reuter, K.
登録日2000-02-11
公開日2000-03-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Mutagenesis and crystallographic studies of Zymomonas mobilis tRNA-guanine transglycosylase to elucidate the role of serine 103 for enzymatic activity.
FEBS Lett., 454, 1999
3UTU
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BU of 3utu by Molmil
High affinity inhibitor of human thrombin
分子名称: (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2S)-2-[(3-chloro-4-methoxybenzene)sulfonamido]-3-{[(4-cyanophenyl)methyl]carbamoyl}propanoyl]pyrrolidine-2-carboxamide, Hirudin variant-1, SODIUM ION, ...
著者Baum, B, Steinmetzer, T, Heine, A, Klebe, G.
登録日2011-11-26
公開日2012-08-29
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Beyond heparinization: design of highly potent thrombin inhibitors suitable for surface coupling
Chemmedchem, 7, 2012

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件を2024-06-12に公開中

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