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3RYV
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BU of 3ryv by Molmil
Carbonic Anhydrase complexed with N-ethyl-4-sulfamoylbenzamide
分子名称: Carbonic anhydrase 2, N-ethyl-4-sulfamoylbenzamide, ZINC ION
著者Snyder, P.W, Bai, S, Heroux, A, Whitesides, G.W.
登録日2011-05-11
公開日2011-08-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Fluoroalkyl and alkyl chains have similar hydrophobicities in binding to the "hydrophobic wall" of carbonic anhydrase.
J.Am.Chem.Soc., 133, 2011
3RZ5
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BU of 3rz5 by Molmil
Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase
分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, N-pentyl-4-sulfamoylbenzamide, ...
著者Snyder, P.W, Bai, S, Heroux, A, Whitesides, G.W.
登録日2011-05-11
公開日2011-08-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Fluoroalkyl and alkyl chains have similar hydrophobicities in binding to the "hydrophobic wall" of carbonic anhydrase.
J.Am.Chem.Soc., 133, 2011
3RYZ
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BU of 3ryz by Molmil
Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase
分子名称: Carbonic anhydrase 2, N-(2,2,3,3,4,4,4-heptafluorobutyl)-4-sulfamoylbenzamide, ZINC ION
著者Snyder, P.W, Bai, S, Heroux, A, Whitesides, G.W.
登録日2011-05-11
公開日2011-08-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Fluoroalkyl and alkyl chains have similar hydrophobicities in binding to the "hydrophobic wall" of carbonic anhydrase.
J.Am.Chem.Soc., 133, 2011
3RZ7
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BU of 3rz7 by Molmil
Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase
分子名称: 4-sulfamoyl-N-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)benzamide, Carbonic anhydrase 2, ZINC ION
著者Snyder, P.W, Bai, S, Heroux, A, Whitesides, G.W.
登録日2011-05-11
公開日2011-08-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Fluoroalkyl and alkyl chains have similar hydrophobicities in binding to the "hydrophobic wall" of carbonic anhydrase.
J.Am.Chem.Soc., 133, 2011
3RYY
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BU of 3ryy by Molmil
Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase
分子名称: Carbonic anhydrase 2, N-propyl-4-sulfamoylbenzamide, ZINC ION
著者Snyder, P.W, Bai, S, Heroux, A, Whitesides, G.W.
登録日2011-05-11
公開日2011-08-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Fluoroalkyl and alkyl chains have similar hydrophobicities in binding to the "hydrophobic wall" of carbonic anhydrase.
J.Am.Chem.Soc., 133, 2011
3RZ8
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BU of 3rz8 by Molmil
Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase
分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, N-hexyl-4-sulfamoylbenzamide, ...
著者Snyder, P.W, Bai, S, Heroux, A, Whitesides, G.W.
登録日2011-05-11
公開日2011-08-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Fluoroalkyl and alkyl chains have similar hydrophobicities in binding to the "hydrophobic wall" of carbonic anhydrase.
J.Am.Chem.Soc., 133, 2011
3RYX
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BU of 3ryx by Molmil
Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase
分子名称: Carbonic anhydrase 2, N-(2,2,3,3,3-pentafluoropropyl)-4-sulfamoylbenzamide, ZINC ION
著者Snyder, P.W, Bai, S, Heroux, A, Whitesides, G.W.
登録日2011-05-11
公開日2011-08-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Fluoroalkyl and alkyl chains have similar hydrophobicities in binding to the "hydrophobic wall" of carbonic anhydrase.
J.Am.Chem.Soc., 133, 2011
3RZ1
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BU of 3rz1 by Molmil
Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase
分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-4-sulfamoylbenzamide, ...
著者Snyder, P.W, Bai, S, Heroux, A, Whitesides, G.W.
登録日2011-05-11
公開日2011-08-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Fluoroalkyl and alkyl chains have similar hydrophobicities in binding to the "hydrophobic wall" of carbonic anhydrase.
J.Am.Chem.Soc., 133, 2011
3RYJ
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BU of 3ryj by Molmil
Carbonic Anhydrase complexed with 4-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
分子名称: 4-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide, Carbonic anhydrase 2, ZINC ION
著者Snyder, P.W, Bai, S, Heroux, A, Whitesides, G.M.
登録日2011-05-11
公開日2011-08-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Fluoroalkyl and alkyl chains have similar hydrophobicities in binding to the "hydrophobic wall" of carbonic anhydrase.
J.Am.Chem.Soc., 133, 2011
3RZ0
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BU of 3rz0 by Molmil
Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase
分子名称: Carbonic anhydrase 2, N-butyl-4-sulfamoylbenzamide, ZINC ION
著者Snyder, P.W, Bai, S, Heroux, A, Whitesides, G.W.
登録日2011-05-11
公開日2011-08-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.798 Å)
主引用文献Fluoroalkyl and alkyl chains have similar hydrophobicities in binding to the "hydrophobic wall" of carbonic anhydrase.
J.Am.Chem.Soc., 133, 2011
2FZZ
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BU of 2fzz by Molmil
Factor Xa in complex with the inhibitor 1-(3-amino-1,2-benzisoxazol-5-yl)-6-(2'-(((3r)-3-hydroxy-1-pyrrolidinyl)methyl)-4-biphenylyl)-3-(trifluoromethyl)-1,4,5,6-tetrahydro-7h-pyrazolo[3,4-c]pyridin-7-one
分子名称: 1-(3-AMINO-1,2-BENZISOXAZOL-5-YL)-6-(2'-{[(3R)-3-HYDROXYPYRROLIDIN-1-YL]METHYL}BIPHENYL-4-YL)-3-(TRIFLUOROMETHYL)-1,4,5,6-TETRAHYDRO-7H-PYRAZOLO[3,4-C]PYRIDIN-7-ONE, Coagulation factor X
著者Alexander, R.S.
登録日2006-02-10
公開日2006-06-27
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献1-[3-Aminobenzisoxazol-5'-yl]-3-trifluoromethyl-6-[2'-(3-(R)-hydroxy-N-pyrrolidinyl)methyl-[1,1']-biphen-4-yl]-1,4,5,6-tetrahydropyrazolo-[3,4-c]-pyridin-7-one (BMS-740808) a highly potent, selective, efficacious, and orally bioavailable inhibitor of blood coagulation factor Xa.
Bioorg.Med.Chem.Lett., 16, 2006
3M35
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BU of 3m35 by Molmil
Trypsin in complex with the inhibitor 1-[3-(aminomethyl)phenyl]-N-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide (DPC423)
分子名称: 1-[3-(aminomethyl)phenyl]-N-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide, CALCIUM ION, Cationic trypsin
著者Alexander, R.S.
登録日2010-03-08
公開日2010-04-21
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of 1-(2-Aminomethylphenyl)-3-trifluoromethyl-N-[3-fluoro-2'-(aminosulfonyl)[1,1'-biphenyl)]-1H-pyrazole-5-carboxyamide (DPC602), a Potent, Selective, and Orally Bioavailable Factor Xa Inhibitor
J.Med.Chem., 46, 2003
3M36
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BU of 3m36 by Molmil
Factor XA in complex with the inhibitor 1-[3-(aminomethyl)phenyl]-N-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide (DPC423)
分子名称: 1-[3-(aminomethyl)phenyl]-N-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide, CALCIUM ION, Coagulation factor X
著者Alexander, R.S.
登録日2010-03-08
公開日2010-04-21
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Discovery of 1-(2-Aminomethylphenyl)-3-trifluoromethyl-N-[3-fluoro-2'-(aminosulfonyl)[1,1'-biphenyl)]-1H-pyrazole-5-carboxyamide (DPC602), a Potent, Selective, and Orally Bioavailable Factor Xa Inhibitor
J.Med.Chem., 46, 2003
3M37
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BU of 3m37 by Molmil
Factor XA in complex with the inhibitor 1-[2-(aminomethyl)phenyl]-N-(3-fluoro-2'-sulfamoylbiphenyl-4-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide (DPC602)
分子名称: 1-[2-(aminomethyl)phenyl]-N-(3-fluoro-2'-sulfamoylbiphenyl-4-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide, CALCIUM ION, Coagulation factor X
著者Alexander, R.S.
登録日2010-03-08
公開日2010-04-21
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of 1-(2-Aminomethylphenyl)-3-trifluoromethyl-N-[3-fluoro-2'-(aminosulfonyl)[1,1'-biphenyl)]-1H-pyrazole-5-carboxyamide (DPC602), a Potent, Selective, and Orally Bioavailable Factor Xa Inhibitor.
J.Med.Chem., 46, 2003
8JSL
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BU of 8jsl by Molmil
The structure of EBOV L-VP35-RNA complex
分子名称: Polymerase cofactor VP35, RNA-directed RNA polymerase L, The leader sequence of EBOV, ...
著者Qi, P, Yi, S.
登録日2023-06-20
公開日2023-09-27
最終更新日2023-11-01
実験手法ELECTRON MICROSCOPY (2.95 Å)
主引用文献Molecular mechanism of de novo replication by the Ebola virus polymerase.
Nature, 622, 2023
8JSN
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BU of 8jsn by Molmil
The structure of EBOV L-VP35-RNA complex (conformation 2)
分子名称: Polymerase cofactor VP35, RNA-directed RNA polymerase L, The leader sequence of EBOV genome, ...
著者Qi, P, Yi, S.
登録日2023-06-20
公開日2023-09-27
最終更新日2023-11-01
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Molecular mechanism of de novo replication by the Ebola virus polymerase.
Nature, 622, 2023
8JSM
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BU of 8jsm by Molmil
The structure of EBOV L-VP35-RNA complex (conformation 1)
分子名称: Polymerase cofactor VP35, RNA-directed RNA polymerase L, The leader sequence of EBOV genome., ...
著者Qi, P, Yi, S.
登録日2023-06-20
公開日2023-09-27
最終更新日2023-11-01
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Molecular mechanism of de novo replication by the Ebola virus polymerase.
Nature, 622, 2023
1Z6E
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BU of 1z6e by Molmil
Factor XA in complex with the inhibitor 1-(3'-amino-1,2-benzisoxazol-5'-yl)-n-(4-(2'-((dimethylamino)methyl)-1h-imidazol-1-yl)-2-fluorophenyl)-3-(trifluoromethyl)-1h-pyrazole-5-carboxamide (razaxaban; DPC906; BMS-561389)
分子名称: 1-(3-AMINO-1,2-BENZISOXAZOL-5-YL)-N-(4-{2-[(DIMETHYLAMINO)METHYL]-1H-IMIDAZOL-1-YL}-2-FLUOROPHENYL)-3-(TRIFLUOROMETHYL) -1H-PYRAZOLE-5-CARBOXAMIDE, Coagulation factor X
著者Alexander, R.S.
登録日2005-03-22
公開日2006-03-28
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of 1-(3'-aminobenzisoxazol-5'-yl)-3-trifluoromethyl-N-[2-fluoro-4-[(2'-dimethylaminomethyl)imidazol-1-yl]phenyl]-1H-pyrazole-5-carboxyamide hydrochloride (razaxaban), a highly potent, selective, and orally bioavailable factor Xa inhibitor.
J.Med.Chem., 48, 2005
7CLV
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BU of 7clv by Molmil
Solution structure of mitochondrial Tim23 channel in complex with a signaling peptide
分子名称: COX4 isoform 1, TIM23 isoform 1
著者Zhou, S, Ruan, M.S, Li, Y.Y, Yang, J, Richter, C, Schwalbe, H, Shen, B, Wang, J.F.
登録日2020-07-22
公開日2020-12-30
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution structure of the voltage-gated Tim23 channel in complex with a mitochondrial presequence peptide.
Cell Res., 31, 2021
7XPQ
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BU of 7xpq by Molmil
Crystal Structure of UDP-Glc/GlcNAc 4-Epimerase with NAD/UDP-GlcNAc
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, UDP-glucose 4-epimerase, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE
著者Chen, Y.H, Wang, X.C, Zhang, C.R.
登録日2022-05-05
公開日2023-05-17
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献A maize epimerase modulates cell wall synthesis and glycosylation during stomatal morphogenesis.
Nat Commun, 14, 2023
7XPO
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BU of 7xpo by Molmil
Crystal Structure of UDP-Glc/GlcNAc 4-Epimerase with NAD/UDP-Glc
分子名称: GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, UDP-glucose 4-epimerase, ...
著者Chen, Y.H, Wang, X.C, Zhang, C.R.
登録日2022-05-05
公開日2023-05-17
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献A maize epimerase modulates cell wall synthesis and glycosylation during stomatal morphogenesis.
Nat Commun, 14, 2023
7XPP
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BU of 7xpp by Molmil
Crystal Structure of UDP-Glc/GlcNAc 4-Epimerase with NAD
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, UDP-glucose 4-epimerase
著者Chen, Y.H, Wang, X.C, Zhang, C.R.
登録日2022-05-05
公開日2023-05-24
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A maize epimerase modulates cell wall synthesis and glycosylation during stomatal morphogenesis.
Nat Commun, 14, 2023

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