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3OQK
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BU of 3oqk by Molmil
Crystal Structure Analysis of Renin-indole-piperazin inhibitor complexes
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-phenoxy-1-phenyl-3-(piperazin-1-ylcarbonyl)-1H-indole, GLYCEROL, ...
著者Bocskei, Z.
登録日2010-09-03
公開日2010-10-27
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery and optimization of a new class of potent and non-chiral indole-3-carboxamide-based renin inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
5AGV
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BU of 5agv by Molmil
The sliding clamp of Mycobacterium tuberculosis in complex with a natural product.
分子名称: (R,R)-2,3-BUTANEDIOL, CALCIUM ION, CYCLOHEXYL GRISELIMYCIN, ...
著者Lukat, P, Kling, A, Heinz, D.W, Mueller, R.
登録日2015-02-03
公開日2015-06-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Antibiotics. Targeting Dnan for Tuberculosis Therapy Using Novel Griselimycins.
Science, 348, 2015
5AGU
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BU of 5agu by Molmil
The sliding clamp of Mycobacterium tuberculosis in complex with a natural product.
分子名称: (R,R)-2,3-BUTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA POLYMERASE III SUBUNIT BETA, ...
著者Lukat, P, Kling, A, Heinz, D.W, Mueller, R.
登録日2015-02-03
公開日2015-06-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.173 Å)
主引用文献Antibiotics. Targeting Dnan for Tuberculosis Therapy Using Novel Griselimycins.
Science, 348, 2015
5AH4
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BU of 5ah4 by Molmil
The sliding clamp of Mycobacterium smegmatis in complex with a natural product.
分子名称: CYCLOHEXYL GRISELIMYCIN, DNA POLYMERASE III SUBUNIT BETA, SODIUM ION
著者Lukat, P, Kling, A, Heinz, D.W, Mueller, R.
登録日2015-02-04
公開日2015-06-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.313 Å)
主引用文献Antibiotics. Targeting Dnan for Tuberculosis Therapy Using Novel Griselimycins.
Science, 348, 2015
5AH2
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BU of 5ah2 by Molmil
The sliding clamp of Mycobacterium smegmatis in complex with a natural product.
分子名称: DNA POLYMERASE III SUBUNIT BETA, GRISELIMYCIN, SODIUM ION
著者Lukat, P, Kling, A, Heinz, D.W, Mueller, R.
登録日2015-02-04
公開日2015-06-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.129 Å)
主引用文献Antibiotics. Targeting Dnan for Tuberculosis Therapy Using Novel Griselimycins.
Science, 348, 2015
1I73
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BU of 1i73 by Molmil
COMPLEX OF PRO-LEU-L-TRP PHOSPHONATE WITH THE CATALITIC DOMAIN OF MATRIX METALLO PROTEINASE-8 (MET80 FORM)
分子名称: CALCIUM ION, NEUTROPHIL COLLAGENASE, THREE RESIDUE PEPTIDE INHIBITOR, ...
著者Gavuzzo, E, Pochetti, G, Mazza, F, Gallina, C, Gorini, B, D'Alessio, S, Pieper, M, Tschesche, H, Tucker, P.A.
登録日2001-03-07
公開日2001-03-21
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Two crystal structures of human neutrophil collagenase, one complexed with a primed- and the other with an unprimed-side inhibitor: implications for drug design.
J.Med.Chem., 43, 2000
1I76
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BU of 1i76 by Molmil
COMPLEX OF 2-(BIPHENYL-4-SULFONYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID (D-TIC DERIVATIVE) WITH T CATALITIC DOMAIN OF MATRIX METALLO PROTEINASE-8 (MET80 FORM)
分子名称: 2-(BIPHENYL-4-SULFONYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID, CALCIUM ION, NEUTROPHIL COLLAGENASE, ...
著者Gavuzzo, E, Pochetti, G, Mazza, F, Gallina, C, Gorini, B, D'Alessio, S, Pieper, M, Tschesche, H, Tucker, P.A.
登録日2001-03-08
公開日2001-03-21
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Two crystal structures of human neutrophil collagenase, one complexed with a primed- and the other with an unprimed-side inhibitor: implications for drug design.
J.Med.Chem., 43, 2000
2OY2
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BU of 2oy2 by Molmil
Human MMP-8 in complex with peptide IAG
分子名称: CALCIUM ION, ILE-ALA-GLY peptide, Neutrophil collagenase, ...
著者Calderone, V, Bertini, I, Fragai, M, Luchinat, C, Maletta, M, Yeo, K.J.
登録日2007-02-21
公開日2007-03-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Snapshots of the reaction mechanism of matrix metalloproteinases.
ANGEW.CHEM.INT.ED.ENGL., 45, 2006
2OY4
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BU of 2oy4 by Molmil
Uninhibited human MMP-8
分子名称: CALCIUM ION, Neutrophil collagenase, ZINC ION
著者Calderone, V, Bertini, I, Fragai, M, Luchinat, C, Maletta, M, Yeo, K.J.
登録日2007-02-21
公開日2007-03-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Snapshots of the reaction mechanism of matrix metalloproteinases.
ANGEW.CHEM.INT.ED.ENGL., 45, 2006
2XYJ
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BU of 2xyj by Molmil
Novel Sulfonylthiadiazoles with an Unusual Binding Mode as Partial Dual Peroxisome Proliferator-Activated Receptor (PPAR) gamma-delta Agonists with High Potency and In-vivo Efficacy
分子名称: 5-CHLORO-2-METHOXY-N-[2-[4-[(5-PROPAN-2-YL-1,3,4-THIADIAZOL-2-YL)SULFAMOYL]PHENYL]ETHYL]BENZAMIDE, PENTAETHYLENE GLYCOL, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR DELTA
著者Marquette, J.-P, Mathieu, M.
登録日2010-11-18
公開日2011-02-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Sulfonylthiadiazoles with an Unusual Binding Mode as Partial Dual Peroxisome Proliferator-Activated Receptor (Ppar) Gamma / Delta Agonists with High Potency and in-Vivo Efficacy
Chemmedchem, 6, 2011
2XYW
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BU of 2xyw by Molmil
Novel Sulfonylthiadiazoles with an Unusual Binding Mode as Partial Dual Peroxisome Proliferator-Activated Receptor (PPAR) gamma-delta Agonists with High Potency and In-vivo Efficacy
分子名称: 3-CHLORO-6-FLUORO-N-[2-[4-[(5-PROPAN-2-YL-1,3,4-THIADIAZOL-2-YL)SULFAMOYL]PHENYL]ETHYL]-1-BENZOTHIOPHENE-2-CARBOXAMIDE, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR DELTA, octyl beta-D-glucopyranoside
著者Marquette, J.-P, Mathieu, M.
登録日2010-11-19
公開日2011-02-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.14 Å)
主引用文献Sulfonylthiadiazoles with an Unusual Binding Mode as Partial Dual Peroxisome Proliferator-Activated Receptor (Ppar) Gamma / Delta Agonists with High Potency and in-Vivo Efficacy
Chemmedchem, 6, 2011
2XYX
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BU of 2xyx by Molmil
Novel Sulfonylthiadiazoles with an Unusual Binding Mode as Partial Dual Peroxisome Proliferator-Activated Receptor (PPAR) gamma-delta Agonists with High Potency and In-vivo Efficacy
分子名称: 4-[2-[[3-CHLORO-5-(TRIFLUOROMETHYL)PYRIDIN-2-YL]AMINO]ETHYL]-N-(5-PROPAN-2-YL-1,3,4-THIADIAZOL-2-YL)BENZENESULFONAMIDE, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR DELTA, octyl beta-D-glucopyranoside
著者Marquette, J.-P, Mathieu, M.
登録日2010-11-19
公開日2011-02-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Sulfonylthiadiazoles with an Unusual Binding Mode as Partial Dual Peroxisome Proliferator-Activated Receptor (Ppar) Gamma / Delta Agonists with High Potency and in-Vivo Efficacy
Chemmedchem, 6, 2011
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