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4LKO
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BU of 4lko by Molmil
Crystal structure of human DPP-IV in complex with BMS-744891
分子名称: 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyethyl)-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one, Dipeptidyl peptidase 4
著者Klei, H.E.
登録日2013-07-08
公開日2013-09-04
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Optimization of Activity, Selectivity, and Liability Profiles in 5-Oxopyrrolopyridine DPP4 Inhibitors Leading to Clinical Candidate (Sa)-2-(3-(Aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-5H-pyrrolo[3,4-b]pyridin-6(7H)-yl)-N,N-dimethylacetamide (BMS-767778).
J.Med.Chem., 56, 2013
7UKW
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BU of 7ukw by Molmil
EGFR(T790M/V948R) in complex with Lazertinib (YH25448)
分子名称: Epidermal growth factor receptor, N-[5-{[(4P)-4-{4-[(dimethylamino)methyl]-3-phenyl-1H-pyrazol-1-yl}pyrimidin-2-yl]amino}-4-methoxy-2-(morpholin-4-yl)phenyl]propanamide
著者Pham, C.D, Heppner, D.E.
登録日2022-04-02
公開日2022-11-23
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural Basis for Inhibition of Mutant EGFR with Lazertinib (YH25448).
Acs Med.Chem.Lett., 13, 2022
3PP3
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BU of 3pp3 by Molmil
Epitope characterization and crystal structure of GA101 provide insights into the molecular basis for the type I / type II distinction of anti- CD20 antibodies
分子名称: GA101 Fab heavy chain, GA101 Fab light chain
著者Hopfner, K.-P, Lammens, A.
登録日2010-11-24
公開日2011-04-13
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.508 Å)
主引用文献Epitope characterization and crystal structure of GA101 provide insights into the molecular basis for type I/II distinction of CD20 antibodies.
Blood, 118, 2011
7UKV
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BU of 7ukv by Molmil
Wild type EGFR in complex with Lazertinib (YH25448)
分子名称: Epidermal growth factor receptor, N-[5-{[(4P)-4-{4-[(dimethylamino)methyl]-3-phenyl-1H-pyrazol-1-yl}pyrimidin-2-yl]amino}-4-methoxy-2-(morpholin-4-yl)phenyl]propanamide
著者Beyett, T.S, Pham, C, Eck, M.J, Heppner, D.E.
登録日2022-04-02
公開日2022-11-23
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Basis for Inhibition of Mutant EGFR with Lazertinib (YH25448).
Acs Med.Chem.Lett., 13, 2022
7WUG
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BU of 7wug by Molmil
GID subcomplex: Gid12 bound Substrate Receptor Scaffolding module
分子名称: Glucose-induced degradation protein 8, HLJ1_G0042170.mRNA.1.CDS.1, Vacuolar import and degradation protein 24, ...
著者Qiao, S, Cheng, J.D, Schulman, B.A.
登録日2022-02-08
公開日2022-06-08
最終更新日2025-06-18
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Cryo-EM structures of Gid12-bound GID E3 reveal steric blockade as a mechanism inhibiting substrate ubiquitylation.
Nat Commun, 13, 2022
2XBY
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BU of 2xby by Molmil
Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor
分子名称: (3R,4R)-1-METHYLCARBAMOYLMETHYL-PYRROLIDINE-3,4-DICARBOXYLIC ACID 3-[(4-CHLORO-PHENYL)-AMIDE] 4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE}, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ...
著者Banner, D.W, Benz, J, Schlatter, D, Thomi, S, Haap, W.
登録日2010-04-15
公開日2010-08-04
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Discovery of a Factor Xa Inhibitor (3R,4R)-1-(2,2-Difluoro-Ethyl)-Pyrrolidine-3,4-Dicarboxylic Acid 3-[(5-Chloro-Pyridin-2-Yl)-Amide] 4-{[2-Fluoro-4-(2-Oxo-2H-Pyridin-1-Yl)-Phenyl]-Amide} as a Clinical Candidate.
Bioorg.Med.Chem., 20, 2010
2XBX
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BU of 2xbx by Molmil
Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor
分子名称: (3R,4R)-1-METHANESULFONYL-PYRROLIDINE-3,4-DICARBOXYLIC ACID 3-[(4-CHLORO-PHENYL)-AMIDE] 4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE}, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ...
著者Banner, D.W, Benz, J, Schlatter, D, Haap, W.
登録日2010-04-15
公開日2010-08-04
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Discovery of a Factor Xa Inhibitor (3R,4R)-1-(2,2-Difluoro-Ethyl)-Pyrrolidine-3,4-Dicarboxylic Acid 3-[(5-Chloro-Pyridin-2-Yl)-Amide] 4-{[2-Fluoro-4-(2-Oxo-2H-Pyridin-1-Yl)-Phenyl]-Amide} as a Clinical Candidate.
Bioorg.Med.Chem., 20, 2010
2XBW
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BU of 2xbw by Molmil
Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor
分子名称: (3R,4R)-1-SULFAMOYL-PYRROLIDINE-3,4-DICARBOXYLIC ACID 3-[(4-CHLORO-PHENYL)-AMIDE] 4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE}, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ...
著者Banner, D.W, Benz, J, Schlatter, D, Thomi, S, Haap, W.
登録日2010-04-15
公開日2010-08-04
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Discovery of a Factor Xa Inhibitor (3R,4R)-1-(2,2-Difluoro-Ethyl)-Pyrrolidine-3,4-Dicarboxylic Acid 3-[(5-Chloro-Pyridin-2-Yl)-Amide] 4-{[2-Fluoro-4-(2-Oxo-2H-Pyridin-1-Yl)-Phenyl]-Amide} as a Clinical Candidate.
Bioorg.Med.Chem., 20, 2010
2XC5
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BU of 2xc5 by Molmil
Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor
分子名称: (3R,4R)-1-METHANESULFONYL-PYRROLIDINE-3,4-DICARBOXYLIC ACID 3-[(4-CHLORO-3-FLUORO-PHENYL)-AMIDE] 4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE}, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ...
著者Banner, D.W, Benz, J, Schlatter, D, Anselm, L, Haap, W.
登録日2010-04-16
公開日2010-08-04
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of a Factor Xa Inhibitor (3R,4R)-1-(2,2-Difluoro-Ethyl)-Pyrrolidine-3,4-Dicarboxylic Acid 3-[(5-Chloro-Pyridin-2-Yl)-Amide] 4-{[2-Fluoro-4-(2-Oxo-2H-Pyridin-1-Yl)-Phenyl]-Amide} as a Clinical Candidate.
Bioorg.Med.Chem., 20, 2010
1FDB
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BU of 1fdb by Molmil
CRYSTAL STRUCTURES OF OXIDIZED AND REDUCED AZOTOBACTER VINELANDII FERREDOXIN AT PH 8 AND PH 6
分子名称: FE3-S4 CLUSTER, FERREDOXIN, IRON/SULFUR CLUSTER
著者Stout, C.D.
登録日1993-06-29
公開日1993-10-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structures of oxidized and reduced Azotobacter vinelandii ferredoxin at pH 8 and 6.
J.Biol.Chem., 268, 1993
1FDA
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BU of 1fda by Molmil
CRYSTAL STRUCTURES OF OXIDIZED AND REDUCED AZOTOBACTER VINELANDII FERREDOXIN AT PH 8 AND PH 6
分子名称: FE3-S4 CLUSTER, FERREDOXIN, IRON/SULFUR CLUSTER
著者Stout, C.D.
登録日1993-06-29
公開日1993-10-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structures of oxidized and reduced Azotobacter vinelandii ferredoxin at pH 8 and 6.
J.Biol.Chem., 268, 1993
3TGL
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BU of 3tgl by Molmil
STRUCTURE AND MOLECULAR MODEL REFINEMENT OF RHIZOMUCOR MIEHEI TRIACYLGLYCERIDE LIPASE: A CASE STUDY OF THE USE OF SIMULATED ANNEALING IN PARTIAL MODEL REFINEMENT
分子名称: TRIACYL-GLYCEROL ACYLHYDROLASE
著者Brady, L, Brzozowski, A.M, Derewenda, Z.S, Dodson, E.J, Dodson, G.G, Tolley, S.P, Turkenburg, J.P, Christiansen, L, Huge-Jensen, B, Norskov, L, Thim, L.
登録日1991-07-29
公開日1993-07-15
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献STRUCTURE AND MOLECULAR-MODEL REFINEMENT OF RHIZOMUCOR-MIEHEI TRIACYLGLYCERIDE LIPASE - A CASE-STUDY OF THE USE OF SIMULATED ANNEALING IN PARTIAL MODEL REFINEMENT.
Acta Crystallogr.,Sect.B, 48, 1992
3PP4
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BU of 3pp4 by Molmil
Epitope characterization and crystal structure of GA101 provide insights into the molecular basis for the type I / type II distinction of anti- CD20 antibodies
分子名称: B-lymphocyte antigen CD20, CHLORIDE ION, GA101 Fab heavy chain, ...
著者Hopfner, K.-P, Lammens, A.
登録日2010-11-24
公開日2011-04-13
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Epitope characterization and crystal structure of GA101 provide insights into the molecular basis for type I/II distinction of CD20 antibodies.
Blood, 118, 2011
4TKY
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BU of 4tky by Molmil
The complex structure of E. coli DsbA bound to a peptide at the DsbA/DsbB interface
分子名称: PRO-PHE-ALA-THR-CYS-ASP-SER, Thiol:disulfide interchange protein DsbA
著者Premkumar, L, Martin, J.L.
登録日2014-05-28
公開日2015-01-14
最終更新日2024-12-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Peptide Inhibitors of the Escherichia coli DsbA Oxidative Machinery Essential for Bacterial Virulence.
J.Med.Chem., 58, 2015
1A7G
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BU of 1a7g by Molmil
THE CRYSTAL STRUCTURE OF THE E2 DNA-BINDING DOMAIN FROM HUMAN PAPILLOMAVIRUS AT 2.4 ANGSTROMS
分子名称: REGULATORY PROTEIN E2, SULFATE ION
著者Bussiere, D.E, Giranda, V.L.
登録日1998-03-13
公開日1999-04-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of the E2 DNA-binding domain from human papillomavirus serotype 31 at 2.4 A.
Acta Crystallogr.,Sect.D, 54, 1998
4BQD
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BU of 4bqd by Molmil
KD1 of human TFPI in complex with a synthetic peptide
分子名称: GLYCEROL, PEPTIDE, TISSUE FACTOR PATHWAY INHIBITOR (LIPOPROTEIN-ASSOCIATED COAGULATION INHIBITOR) VARIANT
著者Griessner, A, Brandstetter, H.
登録日2013-05-30
公開日2013-12-04
最終更新日2025-04-09
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Small Peptides Blocking Inhibition of Factor Xa and Tissue Factor-Factor Viia by Tissue Factor Pathway Inhibitor (Tfpi)
J.Biol.Chem., 289, 2014
5OWC
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BU of 5owc by Molmil
Indole-2 carboxamides as selective secreted phospholipase A2 type X (sPLA2-X) inhibitors
分子名称: 3-[3-[2-aminocarbonyl-6-(trifluoromethyloxy)indol-1-yl]phenyl]propanoic acid, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Sandmark, J.S, Roth, R.G, Knerr, L, Bodin, C, Pettersen, D.
登録日2017-08-31
公開日2018-08-01
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Discovery of a Series of Indole-2 Carboxamides as Selective Secreted Phospholipase A2Type X (sPLA2-X) Inhibitors.
Acs Med.Chem.Lett., 9, 2018
5OW8
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Indole-2 carboxamides as selective secreted phospholipase A2 type X (sPLA2-X) inhibitors
分子名称: 1-[3-(trifluoromethyl)phenyl]indole-2-carboxamide, CALCIUM ION, CHLORIDE ION, ...
著者Sandmark, J.S, Roth, R.G, Knerr, L, Bodin, C, Pettersen, D.
登録日2017-08-31
公開日2018-08-01
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of a Series of Indole-2 Carboxamides as Selective Secreted Phospholipase A2Type X (sPLA2-X) Inhibitors.
Acs Med.Chem.Lett., 9, 2018
2LUY
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BU of 2luy by Molmil
Solution structure of the tandem zinc finger domain of fission yeast Stc1
分子名称: Meiotic chromosome segregation protein P8B7.28c, ZINC ION
著者He, C, Shi, Y, Bayne, E, Wu, J.
登録日2012-06-22
公開日2013-05-08
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structural analysis of Stc1 provides insights into the coupling of RNAi and chromatin modification.
Proc.Natl.Acad.Sci.USA, 110, 2013
1AT9
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BU of 1at9 by Molmil
STRUCTURE OF BACTERIORHODOPSIN AT 3.0 ANGSTROM DETERMINED BY ELECTRON CRYSTALLOGRAPHY
分子名称: BACTERIORHODOPSIN, RETINAL
著者Kimura, Y, Vassylyev, D.G, Miyazawa, A, Kidera, A, Matsushima, M, Mitsuoka, K, Murata, K, Hirai, T, Fujiyoshi, Y.
登録日1997-08-20
公開日1998-09-16
最終更新日2024-10-16
実験手法ELECTRON CRYSTALLOGRAPHY (2.8 Å)
主引用文献Surface of bacteriorhodopsin revealed by high-resolution electron crystallography.
Nature, 389, 1997
1FD2
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BU of 1fd2 by Molmil
SITE-DIRECTED MUTAGENESIS OF AZOTOBACTER VINELANDII FERREDOXIN I. (FE-S) CLUSTER-DRIVEN PROTEIN REARRANGEMENT
分子名称: FE3-S4 CLUSTER, FERREDOXIN, IRON/SULFUR CLUSTER
著者Stout, C.D.
登録日1988-12-08
公開日1989-10-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Site-directed mutagenesis of Azotobacter vinelandii ferredoxin I: [Fe-S] cluster-driven protein rearrangement.
Proc.Natl.Acad.Sci.USA, 87, 1990
1FDD
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BU of 1fdd by Molmil
AZOTOBACTER VINELANDII FERREDOXIN I: ASPARTATE 15 FACILITATES PROTON TRANSFER TO THE REDUCED [3FE-4S] CLUSTER
分子名称: FE3-S4 CLUSTER, FERREDOXIN, IRON/SULFUR CLUSTER
著者Stout, C.D.
登録日1993-01-17
公開日1993-10-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Azotobacter vinelandii ferredoxin I. Aspartate 15 facilitates proton transfer to the reduced [3Fe-4S] cluster.
J.Biol.Chem., 268, 1993
4JH0
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BU of 4jh0 by Molmil
Crystal structure of dipeptidyl-peptidase 4 (CD26, adenosine deaminase complexing protein 2) (DPP-IV-WT) complex with bms-767778 AKA 2-(3-(aminomethyl)-4-(2,4- dichlorophenyl)-2-methyl-5-oxo-5,7-dihydro-6h-pyrrolo[3,4- b]pyridin-6-yl)-n,n-dimethylacetamide
分子名称: 2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-N,N-dimethylacetamide, Dipeptidyl peptidase 4
著者Klei, H.E.
登録日2013-03-04
公開日2013-09-04
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Optimization of Activity, Selectivity, and Liability Profiles in 5-Oxopyrrolopyridine DPP4 Inhibitors Leading to Clinical Candidate (Sa)-2-(3-(Aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-5H-pyrrolo[3,4-b]pyridin-6(7H)-yl)-N,N-dimethylacetamide (BMS-767778).
J.Med.Chem., 56, 2013
3DPA
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BU of 3dpa by Molmil
CRYSTAL STRUCTURE OF CHAPERONE PROTEIN PAPD REVEALS AN IMMUNOGLOBULIN FOLD
分子名称: CHAPERONE PROTEIN PAPD
著者Holmgren, A, Branden, C.-I.
登録日1991-10-09
公開日1991-10-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of chaperone protein PapD reveals an immunoglobulin fold.
Nature, 342, 1989
2XC4
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Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor
分子名称: (3R,4R)-N-(4-CHLOROPHENYL)-N'-[2-FLUORO-4-(2-OXOPYRIDIN-1(2H)-YL)PHENYL]-1-(2,2,2-TRIFLUOROETHYL)PYRROLIDINE-3,4-DICARBOXAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ...
著者Banner, D.W, Benz, J, Schlatter, D, Thomi, S, Haap, W.
登録日2010-04-16
公開日2010-08-04
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Discovery of a Factor Xa Inhibitor (3R,4R)-1-(2,2-Difluoro-Ethyl)-Pyrrolidine-3,4-Dicarboxylic Acid 3-[(5-Chloro-Pyridin-2-Yl)-Amide] 4-{[2-Fluoro-4-(2-Oxo-2H-Pyridin-1-Yl)-Phenyl]-Amide} as a Clinical Candidate.
Bioorg.Med.Chem., 20, 2010

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