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2R94
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BU of 2r94 by Molmil
Crystal Structure of KD(P)GA from T.tenax
Descriptor: 2-Keto-3-deoxy-(6-phospho-)gluconate aldolase, PYRUVIC ACID
Authors:Pauluhn, A, Pohl, E.
Deposit date:2007-09-12
Release date:2008-03-18
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure and stereochemical studies of KD(P)G aldolase from Thermoproteus tenax.
Proteins, 72, 2008
2W0F
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BU of 2w0f by Molmil
Potassium Channel KcsA-Fab Complex with Tetraoctylammonium
Descriptor: ANTIBODY FAB FRAGMENT HEAVY CHAIN, ANTIBODY FAB FRAGMENT LIGHT CHAIN, COBALT (II) ION, ...
Authors:Lenaeus, M.J, Focia, P.J, Wagner, T, Gross, A.
Deposit date:2008-08-14
Release date:2009-11-17
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of Kcsa in Complex with Symmetrical Quaternary Ammonium Compounds Reveal a Hydrophobic Binding Site.
Biochemistry, 53, 2014
3FWQ
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BU of 3fwq by Molmil
Inactive conformation of human protein kinase CK2 catalytic subunit
Descriptor: CHLORIDE ION, Casein kinase II subunit alpha, GLYCEROL, ...
Authors:Niefind, K, Raaf, J, Issinger, O.G.
Deposit date:2009-01-19
Release date:2009-02-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:First inactive conformation of CK2 alpha, the catalytic subunit of protein kinase CK2
J.Mol.Biol., 386, 2009
3LMX
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BU of 3lmx by Molmil
Tyrosine 447 of Protocatechuate 34,-Dioxygenase Controls Efficient Progress Through Catalysis
Descriptor: 3,4-DIHYDROXYBENZOIC ACID, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
Authors:Purpero, V.M, Lipscomb, J.D, Shi, K.
Deposit date:2010-02-01
Release date:2011-02-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Tyrosine 447 of Protocatechuate 34,-Dioxygenase Controls Efficient Progress Through Catalysis
To be Published
3LKT
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BU of 3lkt by Molmil
Tyrosine 447 of Protocatechuate 3,4-Dioxygenase Controls Efficient Progress Through Catalysis
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
Authors:Lipscomb, J.D, Purpero, V.M.
Deposit date:2010-01-27
Release date:2011-02-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Tyrosine 447 of Protocatechuate 3,4-Dioxygenase Controls Efficient Progress Through Catalysis
To be Published
3LN1
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BU of 3ln1 by Molmil
Structure of celecoxib bound at the COX-2 active site
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE, ...
Authors:Kiefer, J.R, Kurumbail, R.G, Stallings, W.C, Pawlitz, J.L.
Deposit date:2010-02-01
Release date:2010-10-27
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The novel benzopyran class of selective cyclooxygenase-2 inhibitors. Part 2: The second clinical candidate having a shorter and favorable human half-life.
Bioorg.Med.Chem.Lett., 20, 2010
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)
Descriptor: 1-[3-(aminomethyl)phenyl]-N-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide, CALCIUM ION, Cationic trypsin
Authors:Alexander, R.S.
Deposit date:2010-03-08
Release date:2010-04-21
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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)
Descriptor: 1-[3-(aminomethyl)phenyl]-N-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide, CALCIUM ION, Coagulation factor X
Authors:Alexander, R.S.
Deposit date:2010-03-08
Release date:2010-04-21
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite: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)
Descriptor: 1-[2-(aminomethyl)phenyl]-N-(3-fluoro-2'-sulfamoylbiphenyl-4-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide, CALCIUM ION, Coagulation factor X
Authors:Alexander, R.S.
Deposit date:2010-03-08
Release date:2010-04-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
1UA0
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BU of 1ua0 by Molmil
Aminofluorene DNA adduct at the pre-insertion site of a DNA polymerase
Descriptor: 2-AMINOFLUORENE, DNA polymerase I, DNA primer strand, ...
Authors:Hsu, G.W, Kiefer, J.R, Becherel, O.J, Fuchs, R.P.P, Beese, L.S.
Deposit date:2004-08-11
Release date:2004-09-28
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Observing translesion synthesis of an aromatic amine DNA adduct by a high-fidelity DNA polymerase
J.Biol.Chem., 279, 2004
3LN0
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BU of 3ln0 by Molmil
Structure of compound 5c-S bound at the active site of COX-2
Descriptor: (2S)-6,8-dichloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kiefer, J.R, Kurumbail, R.G, Stallings, W.C, Pawlitz, J.L.
Deposit date:2010-02-01
Release date:2010-10-27
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The novel benzopyran class of selective cyclooxygenase-2 inhibitors. Part 2: The second clinical candidate having a shorter and favorable human half-life.
Bioorg.Med.Chem.Lett., 20, 2010
1SPR
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BU of 1spr by Molmil
BINDING OF A HIGH AFFINITY PHOSPHOTYROSYL PEPTIDE TO THE SRC SH2 DOMAIN: CRYSTAL STRUCTURES OF THE COMPLEXED AND PEPTIDE-FREE FORMS
Descriptor: PHOSPHATE ION, SRC TYROSINE KINASE SH2 DOMAIN
Authors:Waksman, G, Kuriyan, J.
Deposit date:1993-03-05
Release date:1994-05-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Binding of a high affinity phosphotyrosyl peptide to the Src SH2 domain: crystal structures of the complexed and peptide-free forms.
Cell(Cambridge,Mass.), 72, 1993
1M30
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BU of 1m30 by Molmil
Solution structure of N-terminal SH3 domain from oncogene protein c-Crk
Descriptor: Proto-oncogene C-crk
Authors:Schumann, F.H, Varadan, R, Tayakuniyil, P.P, Hall, J.B, Camarero, J.A, Fushman, D.
Deposit date:2002-06-26
Release date:2003-08-05
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Changing protein backbone topology: Structural and dynamic consequences of the backbone cyclization in SH3 domain
To be Published
1M3C
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BU of 1m3c by Molmil
Solution structure of a circular form of the N-terminal SH3 domain (E132C, E133G, R191G mutant) from oncogene protein c-Crk
Descriptor: Proto-oncogene C-crk
Authors:Schumann, F.H, Varadan, R, Tayakuniyil, P.P, Hall, J.B, Camarero, J.A, Fushman, D.
Deposit date:2002-06-27
Release date:2003-08-05
Last modified:2024-11-06
Method:SOLUTION NMR
Cite:Changing protein backbone topology: Structural and dynamic consequences of the backbone cyclization in SH3 domain
To be Published
1M3B
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BU of 1m3b by Molmil
Solution structure of a circular form of the N-terminal SH3 domain (A134C, E135G, R191G mutant) from oncogene protein c-Crk.
Descriptor: Proto-oncogene C-crk
Authors:Schumann, F.H, Varadan, R, Tayakuniyil, P.P, Hall, J.B, Camarero, J.A, Fushman, D.
Deposit date:2002-06-27
Release date:2003-08-05
Last modified:2024-10-30
Method:SOLUTION NMR
Cite:Changing protein backbone topology: Structural and dynamic consequences of the backbone cyclization in SH3 domain
To be Published
1M3A
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BU of 1m3a by Molmil
Solution structure of a circular form of the truncated N-terminal SH3 domain from oncogene protein c-Crk.
Descriptor: Proto-oncogene C-crk
Authors:Schumann, F.H, Varadan, R, Tayakuniyil, P.P, Hall, J.B, Camarero, J.A, Fushman, D.
Deposit date:2002-06-27
Release date:2003-08-05
Last modified:2024-10-09
Method:SOLUTION NMR
Cite:Changing protein backbone topology: Structural and dynamic consequences of the backbone cyclization in SH3 domain
To be Published
1SPS
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BU of 1sps by Molmil
BINDING OF A HIGH AFFINITY PHOSPHOTYROSYL PEPTIDE TO THE SRC SH2 DOMAIN: CRYSTAL STRUCTURES OF THE COMPLEXED AND PEPTIDE-FREE FORMS
Descriptor: PEPTIDE YEEI, SRC SH2 DOMAIN
Authors:Waksman, G, Kuriyan, J.
Deposit date:1993-03-05
Release date:1994-05-31
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Binding of a high affinity phosphotyrosyl peptide to the Src SH2 domain: crystal structures of the complexed and peptide-free forms.
Cell(Cambridge,Mass.), 72, 1993
4J99
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BU of 4j99 by Molmil
Crystal Structure of FGF Receptor 2 (FGFR2) Kinase Domain Harboring the Gain-of-Function K659T Mutation.
Descriptor: Fibroblast growth factor receptor 2, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ...
Authors:Chen, H, Mohammadi, M.
Deposit date:2013-02-15
Release date:2013-08-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8474 Å)
Cite:Cracking the Molecular Origin of Intrinsic Tyrosine Kinase Activity through Analysis of Pathogenic Gain-of-Function Mutations.
Cell Rep, 4, 2013
1AV8
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BU of 1av8 by Molmil
RIBONUCLEOTIDE REDUCTASE R2 SUBUNIT FROM E. COLI
Descriptor: MU-OXO-DIIRON, RIBONUCLEOTIDE REDUCTASE R2
Authors:Han, S, Arvai, A, Tainer, J.A.
Deposit date:1997-09-30
Release date:1998-10-28
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Characterization of Y122F R2 of Escherichia coli ribonucleotide reductase by time-resolved physical biochemical methods and X-ray crystallography.
Biochemistry, 37, 1998
4J95
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BU of 4j95 by Molmil
Crystal Structure of FGF Receptor 2 (FGFR2) Kinase Domain Harboring the Pathogenic K659N Mutation Responsible for an Unclassified Craniosynostosis Syndrome in Space Group C2.
Descriptor: Fibroblast growth factor receptor 2, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, SULFATE ION
Authors:Chen, H, Mohammadi, M.
Deposit date:2013-02-15
Release date:2013-08-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3767 Å)
Cite:Cracking the Molecular Origin of Intrinsic Tyrosine Kinase Activity through Analysis of Pathogenic Gain-of-Function Mutations.
Cell Rep, 4, 2013
4J97
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BU of 4j97 by Molmil
Crystal Structure of FGF Receptor 2 (FGFR2) Kinase Domain Harboring the Pathogenic Gain-of-Function K659E Mutation Identified in Endometrial Cancer.
Descriptor: Fibroblast growth factor receptor 2, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, SULFATE ION
Authors:Chen, H, Mohammadi, M.
Deposit date:2013-02-15
Release date:2013-08-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5482 Å)
Cite:Cracking the Molecular Origin of Intrinsic Tyrosine Kinase Activity through Analysis of Pathogenic Gain-of-Function Mutations.
Cell Rep, 4, 2013
4J96
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BU of 4j96 by Molmil
Crystal Structure of FGF Receptor 2 (FGFR2) Kinase Domain Harboring the Pathogenic Gain-of-Function K659M Mutation Identified in Cervical Cancer.
Descriptor: CITRATE ANION, Fibroblast growth factor receptor 2, MAGNESIUM ION, ...
Authors:Chen, H, Mohammadi, M.
Deposit date:2013-02-15
Release date:2013-08-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2972 Å)
Cite:Cracking the Molecular Origin of Intrinsic Tyrosine Kinase Activity through Analysis of Pathogenic Gain-of-Function Mutations.
Cell Rep, 4, 2013
2GAI
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BU of 2gai by Molmil
Structure of Full Length Topoisomerase I from Thermotoga maritima in triclinic crystal form
Descriptor: DNA topoisomerase I
Authors:Hansen, G.
Deposit date:2006-03-08
Release date:2006-04-25
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of Full Length Topoisomerase I from Thermotoga maritima
J.Mol.Biol., 358, 2006
4J98
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BU of 4j98 by Molmil
Crystal Structure of FGF Receptor 2 (FGFR2) Kinase Domain Harboring the Gain-of-Function K659Q Mutation.
Descriptor: Fibroblast growth factor receptor 2, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, SULFATE ION
Authors:Huang, Z, Chen, H, Mohammadi, M.
Deposit date:2013-02-15
Release date:2013-08-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3067 Å)
Cite:Cracking the Molecular Origin of Intrinsic Tyrosine Kinase Activity through Analysis of Pathogenic Gain-of-Function Mutations.
Cell Rep, 4, 2013
2GAJ
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BU of 2gaj by Molmil
Structure of Full Length Topoisomerase I from Thermotoga maritima in monoclinic crystal form
Descriptor: DNA topoisomerase I
Authors:Hansen, G.
Deposit date:2006-03-09
Release date:2006-04-25
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structure of Full Length Topoisomerase I from Thermotoga maritima
J.Mol.Biol., 358, 2006

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