1DLG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1dlg by Molmil](/molmil-images/mine/1dlg) | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fup by Molmil](/molmil-images/mine/8fup) | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fxn by Molmil](/molmil-images/mine/8fxn) | 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
|
|
5O7E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5o7e by Molmil](/molmil-images/mine/5o7e) | |
7ZOC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7zoc by Molmil](/molmil-images/mine/7zoc) | |
1NAW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1naw by Molmil](/molmil-images/mine/1naw) | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1eyn by Molmil](/molmil-images/mine/1eyn) | 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
|
|
7UGF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ugf by Molmil](/molmil-images/mine/7ugf) | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ug1 by Molmil](/molmil-images/mine/7ug1) | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ug5 by Molmil](/molmil-images/mine/7ug5) | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7uge by Molmil](/molmil-images/mine/7uge) | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ugi by Molmil](/molmil-images/mine/7ugi) | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ugl by Molmil](/molmil-images/mine/7ugl) | 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
|
|
7AHJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ahj by Molmil](/molmil-images/mine/7ahj) | 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
|
|
1G6T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1g6t by Molmil](/molmil-images/mine/1g6t) | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1g6s by Molmil](/molmil-images/mine/1g6s) | 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
|
|
8FOW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fow by Molmil](/molmil-images/mine/8fow) | Ternary complex of CDK2 with small molecule ligands TW8672 and Dinaciclib | Descriptor: | 1,2-ETHANEDIOL, 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-nitrobenzoic acid, 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium, ... | Authors: | Schonbrunn, E, Sun, L. | Deposit date: | 2023-01-03 | Release date: | 2023-05-31 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Development of allosteric and selective CDK2 inhibitors for contraception with negative cooperativity to cyclin binding. Nat Commun, 14, 2023
|
|
8FP5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fp5 by Molmil](/molmil-images/mine/8fp5) | CDK2 liganded with ATP and Mg2+ | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Cyclin-dependent kinase 2, ... | Authors: | Schonbrunn, E, Sun, L. | Deposit date: | 2023-01-04 | Release date: | 2023-05-31 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Development of allosteric and selective CDK2 inhibitors for contraception with negative cooperativity to cyclin binding. Nat Commun, 14, 2023
|
|
8FP0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fp0 by Molmil](/molmil-images/mine/8fp0) | |
1E0D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1e0d by Molmil](/molmil-images/mine/1e0d) | UDP-N-Acetylmuramoyl-L-Alanine:D-Glutamate Ligase | Descriptor: | SULFATE ION, UDP-N-ACETYLMURAMOYLALANINE--D-GLUTAMATE LIGASE | Authors: | Fanchon, E, Bertrand, J, Chantalat, L, Dideberg, O. | Deposit date: | 2000-03-24 | Release date: | 2000-06-09 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | "Open" Structures of Murd: Domain Movements and Structural Similarities with Folylpolyglutamate Synthetase. J.Mol.Biol., 301, 2000
|
|
8FVS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fvs by Molmil](/molmil-images/mine/8fvs) | Bromodomain of CBP liganded with CCS1477int | Descriptor: | 1,2-ETHANEDIOL, Histone acetyltransferase, MAGNESIUM ION, ... | Authors: | Schonbrunn, E, Bikowitz, M. | Deposit date: | 2023-01-19 | Release date: | 2024-01-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Group 3 medulloblastoma transcriptional networks collapse under domain specific EP300/CBP inhibition. Nat Commun, 15, 2024
|
|
8FV2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fv2 by Molmil](/molmil-images/mine/8fv2) | Bromodomain of CBP liganded with CCS-1477 | Descriptor: | (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, CREB-binding protein, ... | Authors: | Schonbrunn, E, Bikowitz, M. | Deposit date: | 2023-01-18 | Release date: | 2024-02-07 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Group 3 medulloblastoma transcriptional networks collapse under domain specific EP300/CBP inhibition. Nat Commun, 15, 2024
|
|
8FVF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fvf by Molmil](/molmil-images/mine/8fvf) | Bromodomain of EP300 liganded with CCS-1477 | Descriptor: | (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, Histone acetyltransferase p300, ... | Authors: | Schonbrunn, E, Bikowitz, M. | Deposit date: | 2023-01-18 | Release date: | 2024-02-07 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Group 3 medulloblastoma transcriptional networks collapse under domain specific EP300/CBP inhibition. Nat Commun, 15, 2024
|
|
8FXE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fxe by Molmil](/molmil-images/mine/8fxe) | Bromodomain of CBP liganded with iCBP6 | Descriptor: | (6S)-1-(3-tert-butylphenyl)-6-{(5P)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1s,4R)-4-methoxycyclohexyl]-1H-benzimidazol-2-yl}piperidin-2-one, 1,2-ETHANEDIOL, CREB-binding protein | Authors: | Schonbrunn, E, Bikowitz, M. | Deposit date: | 2023-01-24 | Release date: | 2024-02-07 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Group 3 medulloblastoma transcriptional networks collapse under domain specific EP300/CBP inhibition. Nat Commun, 15, 2024
|
|
8FVK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fvk by Molmil](/molmil-images/mine/8fvk) | First bromodomain of BRD4 liganded with CCS-1477 | Descriptor: | (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, Bromodomain-containing protein 4 | Authors: | Schonbrunn, E, Bikowitz, M. | Deposit date: | 2023-01-19 | Release date: | 2024-02-07 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Group 3 medulloblastoma transcriptional networks collapse under domain specific EP300/CBP inhibition. Nat Commun, 15, 2024
|
|