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5M0B
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BU of 5m0b by Molmil
Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with a short-chained N-(2-aminoethyl)isoquinoline-5-sulfonamide) Fasudil-derivative (Ligand 03)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, METHANOL, N-(2-AMINOETHYL)ISOQUINOLINE-5-SULFONAMIDE, ...
Authors:Wienen-Schmidt, B, Heine, A, Klebe, G.
Deposit date:2016-10-04
Release date:2018-06-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.506 Å)
Cite:Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with different Fasudil-derivatives
To Be Published
4HJ9
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BU of 4hj9 by Molmil
Crystal Structure of Schizosaccharomyces pombe Pot1pC bound to ssDNA (CGGTTACGGT)
Descriptor: DNA (5'-D(*CP*GP*GP*TP*TP*AP*CP*GP*GP*T)-3'), Protection of telomeres protein 1
Authors:Dickey, T.H, Wuttke, D.S.
Deposit date:2012-10-12
Release date:2012-12-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Nonspecific Recognition Is Achieved in Pot1pC through the Use of Multiple Binding Modes.
Structure, 21, 2013
8FTN
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BU of 8ftn by Molmil
E. coli ArnA dehydrogenase domain mutant - N492A
Descriptor: Bifunctional UDP-4-amino-4-deoxy-L-arabinose formyltransferase/UDP-glucuronic acid oxidase ArnA, SULFATE ION
Authors:Sousa, M.C, Mitchell, M.E.
Deposit date:2023-01-12
Release date:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Targeting the Conformational Change in ArnA Dehydrogenase for Selective Inhibition of Polymyxin Resistance.
Biochemistry, 62, 2023
4HIO
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BU of 4hio by Molmil
Crystal Structure of Schizosaccharomyces pombe Pot1pC bound to ssDNA (GGTAACGGT)
Descriptor: DNA (5'-D(*GP*GP*TP*AP*AP*CP*GP*GP*T)-3'), Protection of telomeres protein 1
Authors:Dickey, T.H, McKercher, M.A, Wuttke, D.S.
Deposit date:2012-10-11
Release date:2012-12-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.753 Å)
Cite:Nonspecific Recognition Is Achieved in Pot1pC through the Use of Multiple Binding Modes.
Structure, 21, 2013
4QEI
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BU of 4qei by Molmil
Two distinct conformational states of GlyRS captured in crystal lattice
Descriptor: ADENOSINE MONOPHOSPHATE, Glycine--tRNA ligase, tRNA-Gly-CCC-2-2
Authors:Xie, W, Qin, X, Deng, X, Zhang, Q, Li, Q.
Deposit date:2014-05-16
Release date:2015-05-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.875 Å)
Cite:Large Conformational Changes of Insertion 3 in Human Glycyl-tRNA Synthetase (hGlyRS) during Catalysis
J.Biol.Chem., 291, 2016
3LGU
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BU of 3lgu by Molmil
Y162A mutant of the DegS-deltaPDZ protease
Descriptor: Protease degS
Authors:Sohn, J, Grant, R.A, Sauer, R.T.
Deposit date:2010-01-21
Release date:2010-08-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Allostery is an intrinsic property of the protease domain of DegS: implications for enzyme function and evolution.
J.Biol.Chem., 285, 2010
6PAE
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BU of 6pae by Molmil
Dickeya chrysanthemi complex with L-Asp at pH 5.6
Descriptor: 1,2-ETHANEDIOL, ASPARTIC ACID, GLYCEROL, ...
Authors:Lubkowski, J, Wlodawer, A.
Deposit date:2019-06-11
Release date:2019-09-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Geometric considerations support the double-displacement catalytic mechanism of l-asparaginase.
Protein Sci., 28, 2019
4HIM
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BU of 4him by Molmil
Crystal Structure of Schizosaccharomyces pombe Pot1pC bound to ssDNA (GGATACGGT)
Descriptor: DNA (5'-D(*GP*GP*AP*TP*AP*CP*GP*GP*T)-3'), Protection of telomeres protein 1
Authors:Dickey, T.H, Wuttke, D.S.
Deposit date:2012-10-11
Release date:2012-12-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Nonspecific Recognition Is Achieved in Pot1pC through the Use of Multiple Binding Modes.
Structure, 21, 2013
1M6H
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BU of 1m6h by Molmil
Human glutathione-dependent formaldehyde dehydrogenase
Descriptor: Glutathione-dependent formaldehyde dehydrogenase, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Sanghani, P.C, Robinson, H, Bosron, W.F, Hurley, T.D.
Deposit date:2002-07-16
Release date:2002-07-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Human glutathione-dependent formaldehyde dehydrogenase. Structures of apo, binary, and inhibitory ternary complexes.
Biochemistry, 41, 2002
1DV1
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BU of 1dv1 by Molmil
STRUCTURE OF BIOTIN CARBOXYLASE (APO)
Descriptor: BIOTIN CARBOXYLASE, PHOSPHATE ION
Authors:Thoden, J.B, Blanchard, C.Z, Holden, H.M, Waldrop, G.L.
Deposit date:2000-01-19
Release date:2000-06-09
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Movement of the biotin carboxylase B-domain as a result of ATP binding.
J.Biol.Chem., 275, 2000
6PAC
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BU of 6pac by Molmil
E. coli L-asparaginase II in complex with L-Asp at pH 5.6
Descriptor: ASPARTIC ACID, IMIDAZOLE, L-asparaginase 2
Authors:Lubkowski, J, Wlodawer, A.
Deposit date:2019-06-11
Release date:2019-09-04
Last modified:2019-10-02
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Geometric considerations support the double-displacement catalytic mechanism of l-asparaginase.
Protein Sci., 28, 2019
1MA0
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BU of 1ma0 by Molmil
Ternary complex of Human glutathione-dependent formaldehyde dehydrogenase with NAD+ and dodecanoic acid
Descriptor: Glutathione-dependent formaldehyde dehydrogenase, LAURIC ACID, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Sanghani, P.C, Robinson, H, Bosron, W.F, Hurley, T.D.
Deposit date:2002-07-30
Release date:2002-08-02
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Human glutathione-dependent formaldehyde dehydrogenase. Structures of apo, binary, and inhibitory ternary complexes.
Biochemistry, 41, 2002
8FVF
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BU of 8fvf by Molmil
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
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BU of 8fxe by Molmil
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
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
7P8W
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BU of 7p8w by Molmil
Human erythrocyte catalase cryoEM
Descriptor: Catalase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Chen, S, Li, J, Vinothkumar, K.R, Henderson, R.
Deposit date:2021-07-23
Release date:2021-08-25
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (2.2 Å)
Cite:Interaction of human erythrocyte catalase with air-water interface in cryoEM.
Microscopy (Oxf), 71, 2022
8FVK
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BU of 8fvk by Molmil
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
8FXA
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BU of 8fxa by Molmil
Bromodomain of CBP liganded with iCBP4
Descriptor: (6S)-1-[3,5-bis(trifluoromethyl)phenyl]-6-{(5M)-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 (1.65 Å)
Cite:Group 3 medulloblastoma transcriptional networks collapse under domain specific EP300/CBP inhibition.
Nat Commun, 15, 2024
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
8FXO
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BU of 8fxo by Molmil
Bromodomain of CBP liganded with iCBP8
Descriptor: (6S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-{(5M)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1s,4R)-4-methoxycyclohexyl]-1H-benzimidazol-2-yl}piperidin-2-one, CREB-binding protein
Authors:Schonbrunn, E, Bikowitz, M.
Deposit date:2023-01-25
Release date:2024-02-07
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Group 3 medulloblastoma transcriptional networks collapse under domain specific EP300/CBP inhibition.
Nat Commun, 15, 2024
1WN5
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BU of 1wn5 by Molmil
Crystal Structure of Blasticidin S Deaminase (BSD) Complexed with Cacodylic Acid
Descriptor: Blasticidin-S deaminase, CACODYLATE ION, ZINC ION
Authors:Kumasaka, T, Yamamoto, M, Furuichi, M, Nakasako, M, Kimura, M, Yamaguchi, I, Ueki, T.
Deposit date:2004-07-27
Release date:2005-10-25
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of blasticidin S deaminase (BSD): implications for dynamic properties of catalytic zinc
J.Biol.Chem., 282, 2007
7P2L
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BU of 7p2l by Molmil
thermostabilised 7TM domain of human mGlu5 receptor bound to photoswitchable ligand alloswitch-1
Descriptor: 2-chloranyl-~{N}-[2-methoxy-4-[(~{E})-pyridin-2-yldiazenyl]phenyl]benzamide, Metabotropic glutamate receptor 5,Endolysin,Metabotropic glutamate receptor 5
Authors:Huang, C.Y, Vinothkumar, K.R, Lebon, G.
Deposit date:2021-07-06
Release date:2021-09-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Agonists and allosteric modulators promote signaling from different metabotropic glutamate receptor 5 conformations.
Cell Rep, 36, 2021
3LGY
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BU of 3lgy by Molmil
R178A mutant of the DegS-deltaPDZ protease
Descriptor: CHLORIDE ION, MAGNESIUM ION, Protease degS
Authors:Sohn, J, Grant, R.A, Sauer, R.T.
Deposit date:2010-01-21
Release date:2010-08-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Allostery is an intrinsic property of the protease domain of DegS: implications for enzyme function and evolution.
J.Biol.Chem., 285, 2010
7P0Y
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BU of 7p0y by Molmil
Crystal Structure of mtbMGL K74A (Substrate Analog Complex)
Descriptor: 1-[butyl(fluoranyl)phosphoryl]oxyhexadecane, Monoacylglycerol lipase
Authors:Grininger, C, Aschauer, P, Pavkov-Keller, T, Oberer, M.
Deposit date:2021-06-30
Release date:2021-09-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural Changes in the Cap of Rv0183/mtbMGL Modulate the Shape of the Binding Pocket.
Biomolecules, 11, 2021
5IHX
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BU of 5ihx by Molmil
Crystal Structure of a C-terminally truncated Aspergillus nidulans mitochondrial tyrosyl-tRNA synthetase
Descriptor: TYROSINE, Tyrosine--tRNA ligase, mitochondrial
Authors:Lamech, L.T, Lambowitz, A.M.
Deposit date:2016-02-29
Release date:2016-04-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.298 Å)
Cite:Crystal Structure of a C-terminally truncated Aspergillus nidulans mitochondrial tyrosyl-tRNA synthetase
To be published

225946

數據於2024-10-09公開中

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