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7AHJ
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BU of 7ahj by Molmil
Crystal structure of PPARgamma V290M mutant ligand binding domain in complex with farglitazar
Descriptor: 2-(2-BENZOYL-PHENYLAMINO)-3-{4-[2-(5-METHYL-2-PHENYL-OXAZOL-4-YL)-ETHOXY]-PHENYL}-PROPIONIC ACID, Peroxisome proliferator-activated receptor gamma
Authors:Schoenmakers, E, Schwabe, B.T.W, Fairall, L, Chatterjee, K, Schwabe, J.W.R.
Deposit date:2020-09-24
Release date:2020-10-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of PPARgamma V290M mutant ligand binding domain in complex with farglitazar
To Be Published
5O7E
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BU of 5o7e by Molmil
Crystal structure of the peptidase domain of collagenase H from Clostridium histolyticum in complex with N-aryl mercaptoacetamide-based inhibitor
Descriptor: CALCIUM ION, ColH protein, ZINC ION, ...
Authors:Schoenauer, E, Brandstetter, H.
Deposit date:2017-06-08
Release date:2018-01-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Discovery of a Potent Inhibitor Class with High Selectivity toward Clostridial Collagenases.
J. Am. Chem. Soc., 139, 2017
1NAW
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BU of 1naw by Molmil
ENOLPYRUVYL TRANSFERASE
Descriptor: CYCLOHEXYLAMMONIUM ION, UDP-N-ACETYLGLUCOSAMINE 1-CARBOXYVINYL-TRANSFERASE
Authors:Schoenbrunn, E, Sack, S, Eschenburg, S, Perrakis, A, Krekel, F, Amrhein, N, Mandelkow, E.
Deposit date:1996-07-23
Release date:1997-07-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of UDP-N-acetylglucosamine enolpyruvyltransferase, the target of the antibiotic fosfomycin.
Structure, 4, 1996
1EYN
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BU of 1eyn by Molmil
Structure of mura liganded with the extrinsic fluorescence probe ANS
Descriptor: 8-ANILINO-1-NAPHTHALENE SULFONATE, GLYCEROL, UDP-N-ACETYLGLUCOSAMINE 1-CARBOXYVINYLTRANSFERASE
Authors:Schonbrunn, E, Eschenburg, S, Luger, K, Kabsch, W, Amrhein, N.
Deposit date:2000-05-07
Release date:2000-06-09
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis for the interaction of the fluorescence probe 8-anilino-1-naphthalene sulfonate (ANS) with the antibiotic target MurA.
Proc.Natl.Acad.Sci.USA, 97, 2000
1DLG
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BU of 1dlg by Molmil
CRYSTAL STRUCTURE OF THE C115S ENTEROBACTER CLOACAE MURA IN THE UN-LIGANDED STATE
Descriptor: CYCLOHEXYLAMMONIUM ION, PHOSPHATE ION, UDP-N-ACETYLGLUCOSAMINE ENOLPYRUVYL TRANSFERASE MURA
Authors:Schonbrunn, E, Eschenburg, S, Krekel, F, Luger, K, Amrhein, N.
Deposit date:1999-12-09
Release date:2000-04-12
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Role of the loop containing residue 115 in the induced-fit mechanism of the bacterial cell wall biosynthetic enzyme MurA.
Biochemistry, 39, 2000
8FUP
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BU of 8fup by Molmil
Bromodomain of CBP liganded with BMS-536924 and CCS-1477
Descriptor: (3M)-4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-3-[4-methyl-6-(morpholin-4-yl)-1H-benzimidazol-2-yl]pyridin-2(1H)-one, (6S)-1-[3,4-bis(fluoranyl)phenyl]-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]piperidin-2-one, 1,2-ETHANEDIOL, ...
Authors:Schonbrunn, E, Bikowitz, M.
Deposit date:2023-01-18
Release date:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis of CBP and EP300 interaction with kinase inhibitors
To Be Published
8FXN
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BU of 8fxn by Molmil
Bromodomain of CBP liganded with iCBP7
Descriptor: 1,2-ETHANEDIOL, CREB-binding protein, tert-butyl {(1R,4s)-4-[(5M)-2-[(2S)-1-(3-tert-butylphenyl)-6-oxopiperidin-2-yl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-1-yl]cyclohexyl}carbamate
Authors:Schonbrunn, E, Bikowitz, M.
Deposit date:2023-01-25
Release date:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Group 3 medulloblastoma transcriptional networks are sensitive to EP300/CBP bromodomain inhibition
To be published
7UGF
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BU of 7ugf by Molmil
First bromodomain of BRD4 liganded with BMS-536924
Descriptor: (3M)-4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-3-[4-methyl-6-(morpholin-4-yl)-1H-benzimidazol-2-yl]pyridin-2(1H)-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4
Authors:Schonbrunn, E, Bikowitz, M.
Deposit date:2022-03-24
Release date:2023-04-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural basis of CBP and EP300 interaction with kinase inhibitors
To Be Published
7UG1
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BU of 7ug1 by Molmil
CDK2 liganded with para chloro ANS
Descriptor: 1,2-ETHANEDIOL, 8-(4-chloroanilino)naphthalene-1-sulfonic acid, Cyclin-dependent kinase 2, ...
Authors:Schonbrunn, E, Martin, M.
Deposit date:2022-03-23
Release date:2023-04-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Allosteric inhibitors of CDK2
To Be Published
7UG5
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BU of 7ug5 by Molmil
Second bromodomain of BRD3 liganded with BMS-536924
Descriptor: (3M)-4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-3-[4-methyl-6-(morpholin-4-yl)-1H-benzimidazol-2-yl]pyridin-2(1H)-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 3
Authors:Schonbrunn, E, Bikowitz, M.
Deposit date:2022-03-23
Release date:2023-04-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis of CBP and EP300 interaction with kinase inhibitors
To Be Published
7UGE
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BU of 7uge by Molmil
Bromodomain of CBP liganded with BMS-536924
Descriptor: (3M)-4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-3-[4-methyl-6-(morpholin-4-yl)-1H-benzimidazol-2-yl]pyridin-2(1H)-one, 1,2-ETHANEDIOL, Histone acetyltransferase
Authors:Schonbrunn, E, Bikowitz, M.
Deposit date:2022-03-24
Release date:2023-04-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.004 Å)
Cite:Structural basis of CBP and EP300 interaction with kinase inhibitors
To Be Published
7UGI
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BU of 7ugi by Molmil
Bromodomain of EP300 liganded with BMS-536924
Descriptor: (3M)-4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-3-[4-methyl-6-(morpholin-4-yl)-1H-benzimidazol-2-yl]pyridin-2(1H)-one, 1,2-ETHANEDIOL, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ...
Authors:Schonbrunn, E, Bikowitz, M.
Deposit date:2022-03-24
Release date:2023-04-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis of CBP and EP300 interaction with kinase inhibitors
To Be Published
7UGL
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BU of 7ugl by Molmil
Bromodomain of CBP liganded with BMS-536924 and SGC-CBP30
Descriptor: (3M)-4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-3-[4-methyl-6-(morpholin-4-yl)-1H-benzimidazol-2-yl]pyridin-2(1H)-one, 2-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(morpholin-4-yl)propyl]-1H-benzimidazole, Histone acetyltransferase
Authors:Schonbrunn, E, Bikowitz, M.
Deposit date:2022-03-24
Release date:2023-04-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural basis of CBP and EP300 interaction with kinase inhibitors
To Be Published
1G6T
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BU of 1g6t by Molmil
STRUCTURE OF EPSP SYNTHASE LIGANDED WITH SHIKIMATE-3-PHOSPHATE
Descriptor: EPSP SYNTHASE, FORMIC ACID, PHOSPHATE ION, ...
Authors:Schonbrunn, E, Eschenburg, S, Shuttleworth, W, Schloss, J.V, Amrhein, N, Evans, J.N.S, Kabsch, W.
Deposit date:2000-11-07
Release date:2001-02-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Interaction of the herbicide glyphosate with its target enzyme 5-enolpyruvylshikimate 3-phosphate synthase in atomic detail.
Proc.Natl.Acad.Sci.USA, 98, 2001
1G6S
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BU of 1g6s by Molmil
STRUCTURE OF EPSP SYNTHASE LIGANDED WITH SHIKIMATE-3-PHOSPHATE AND GLYPHOSATE
Descriptor: EPSP SYNTHASE, FORMIC ACID, GLYPHOSATE, ...
Authors:Schonbrunn, E, Eschenburg, S, Shuttleworth, W, Schloss, J.V, Amrhein, N, Evans, J.N.S, Kabsch, W.
Deposit date:2000-11-07
Release date:2001-02-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Interaction of the herbicide glyphosate with its target enzyme 5-enolpyruvylshikimate 3-phosphate synthase in atomic detail.
Proc.Natl.Acad.Sci.USA, 98, 2001
3JZP
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BU of 3jzp by Molmil
Human MDMX liganded with a 12mer peptide inhibitor (pDI6W)
Descriptor: POTASSIUM ION, Protein Mdm4, pDI6W peptide (12mer)
Authors:Schonbrunn, E, Phan, J.
Deposit date:2009-09-24
Release date:2009-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Structure-based design of high affinity peptides inhibiting the interaction of p53 with MDM2 and MDMX.
J.Biol.Chem., 285, 2010
3R9O
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BU of 3r9o by Molmil
CDK2 in complex with inhibitor RC-2-143
Descriptor: 4-amino-N-(3,5-difluorophenyl)-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide, Cyclin-dependent kinase 2
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2011-03-25
Release date:2012-10-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
3RK9
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BU of 3rk9 by Molmil
CDK2 in complex with inhibitor RC-2-74
Descriptor: Cyclin-dependent kinase 2, [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2011-04-17
Release date:2012-10-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
3R8L
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BU of 3r8l by Molmil
CDK2 in complex with inhibitor L3-4
Descriptor: (5R)-5-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide, Cyclin-dependent kinase 2
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2011-03-24
Release date:2012-08-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
3R8P
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BU of 3r8p by Molmil
CDK2 in complex with inhibitor NSK-MC1-6
Descriptor: (5R)-5-propyl-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide, Cyclin-dependent kinase 2
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2011-03-24
Release date:2012-08-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
3RMF
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BU of 3rmf by Molmil
CDK2 in complex with inhibitor RC-2-33
Descriptor: 4-{[4-amino-5-(naphthalen-2-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide, Cyclin-dependent kinase 2
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2011-04-20
Release date:2012-10-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
3R9N
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BU of 3r9n by Molmil
CDK2 in complex with inhibitor RC-2-21
Descriptor: Cyclin-dependent kinase 2, [4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl](3-nitrophenyl)methanone
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2011-03-25
Release date:2012-10-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
3ROY
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BU of 3roy by Molmil
CDK2 in complex with inhibitor KVR-1-154
Descriptor: 1,2-ETHANEDIOL, 4-(hexylamino)-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide, Cyclin-dependent kinase 2
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2011-04-26
Release date:2012-08-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
3RK7
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BU of 3rk7 by Molmil
CDK2 in complex with inhibitor RC-2-71
Descriptor: 1,2-ETHANEDIOL, 4-{[4-amino-5-(pyridin-3-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzamide, Cyclin-dependent kinase 2
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2011-04-17
Release date:2012-10-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
3R7E
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BU of 3r7e by Molmil
CDK2 in complex with inhibitor KVR-1-67
Descriptor: 1,2-ETHANEDIOL, 5-nitro-2-[(pyrazin-2-ylmethyl)amino]benzamide, Cyclin-dependent kinase 2
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2011-03-22
Release date:2012-08-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published

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