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7NWE
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BU of 7nwe by Molmil
CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC BRANCHED-CHAIN AMINOTRANSFERASE (BCAT1) IN COMPLEX WITH PLP AND INHIBITOR COMPOUND 10
Descriptor: 4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-5-methyl-2-(2-methylphenoxy)benzenecarbonitrile, Branched-chain-amino-acid aminotransferase, cytosolic, ...
Authors:Hillig, R.C.
Deposit date:2021-03-16
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:BAY-069, a Novel (Trifluoromethyl)pyrimidinedione-Based BCAT1/2 Inhibitor and Chemical Probe.
J.Med.Chem., 65, 2022
7NY9
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BU of 7ny9 by Molmil
CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC BRANCHED-CHAIN AMINOTRANSFERASE (BCAT1) IN COMPLEX WITH PLP AND SMALL MOLECULE INHIBITOR COMPOUND 38
Descriptor: 3-[2,6-bis(oxidanylidene)-4-(trifluoromethyl)-5~{H}-pyrimidin-1-yl]-~{N}-methyl-2-pyridin-2-yl-imidazo[1,2-a]pyridine-7-carboxamide, Branched-chain-amino-acid aminotransferase, cytosolic, ...
Authors:Hillig, R.C.
Deposit date:2021-03-22
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:BAY-069, a Novel (Trifluoromethyl)pyrimidinedione-Based BCAT1/2 Inhibitor and Chemical Probe.
J.Med.Chem., 65, 2022
7NWB
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BU of 7nwb by Molmil
CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC BRANCHED-CHAIN AMINOTRANSFERASE (BCAT1) IN COMPLEX WITH PLP AND INHIBITOR COMPOUND 1
Descriptor: 4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile, Branched-chain-amino-acid aminotransferase, cytosolic, ...
Authors:Hillig, R.C.
Deposit date:2021-03-16
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:BAY-069, a Novel (Trifluoromethyl)pyrimidinedione-Based BCAT1/2 Inhibitor and Chemical Probe.
J.Med.Chem., 65, 2022
7NXO
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BU of 7nxo by Molmil
CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC BRANCHED-CHAIN AMINOTRANSFERASE (BCAT1) IN COMPLEX WITH PLP AND SMALL MOLECULE INHIBITOR COMPOUND 24(5-F)
Descriptor: 4-[2,4-bis(oxidanylidene)-6-(phenylsulfonyl)-1H-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile, Branched-chain-amino-acid aminotransferase, cytosolic, ...
Authors:Hillig, R.C.
Deposit date:2021-03-19
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:BAY-069, a Novel (Trifluoromethyl)pyrimidinedione-Based BCAT1/2 Inhibitor and Chemical Probe.
J.Med.Chem., 65, 2022
7NWM
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BU of 7nwm by Molmil
CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC BRANCHED-CHAIN AMINOTRANSFERASE (BCAT1) IN COMPLEX WITH PLP AND INHIBITOR COMPOUND 12
Descriptor: 4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-5-methoxy-2-(2-methylphenoxy)benzenecarbonitrile, Branched-chain-amino-acid aminotransferase, cytosolic, ...
Authors:Hillig, R.C.
Deposit date:2021-03-17
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:BAY-069, a Novel (Trifluoromethyl)pyrimidinedione-Based BCAT1/2 Inhibitor and Chemical Probe.
J.Med.Chem., 65, 2022
7NWA
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BU of 7nwa by Molmil
CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC BRANCHED-CHAIN AMINOTRANSFERASE (BCAT1) IN COMPLEX WITH PLP AND COMPOUND A
Descriptor: 2-[[4-chloranyl-2,6-bis(fluoranyl)phenyl]methylamino]-7-oxidanylidene-5-propyl-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile, Branched-chain-amino-acid aminotransferase, cytosolic, ...
Authors:Hillig, R.C.
Deposit date:2021-03-16
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:BAY-069, a Novel (Trifluoromethyl)pyrimidinedione-Based BCAT1/2 Inhibitor and Chemical Probe.
J.Med.Chem., 65, 2022
7NYA
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BU of 7nya by Molmil
CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC BRANCHED-CHAIN AMINOTRANSFERASE (BCAT1) IN COMPLEX WITH PLP AND SMALL MOLECULE INHIBITOR BAY-069 (COMPOUND 36)
Descriptor: 3-[4-chloranyl-3-(2-methylphenoxy)naphthalen-1-yl]-6-(trifluoromethyl)-5~{H}-pyrimidine-2,4-dione, Branched-chain-amino-acid aminotransferase, cytosolic, ...
Authors:Hillig, R.C.
Deposit date:2021-03-22
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:BAY-069, a Novel (Trifluoromethyl)pyrimidinedione-Based BCAT1/2 Inhibitor and Chemical Probe.
J.Med.Chem., 65, 2022
7NXN
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BU of 7nxn by Molmil
CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC BRANCHED-CHAIN AMINOTRANSFERASE (BCAT1) IN COMPLEX WITH PLP AND SMALL MOLECULE INHIBITOR COMPOUND 21(5-F)
Descriptor: 4-[6-[bis(fluoranyl)-phenyl-methyl]-2,4-bis(oxidanylidene)-1~{H}-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile, Branched-chain-amino-acid aminotransferase, cytosolic, ...
Authors:Hillig, R.C.
Deposit date:2021-03-19
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:BAY-069, a Novel (Trifluoromethyl)pyrimidinedione-Based BCAT1/2 Inhibitor and Chemical Probe.
J.Med.Chem., 65, 2022
7NWC
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BU of 7nwc by Molmil
CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC BRANCHED-CHAIN AMINOTRANSFERASE (BCAT1) IN COMPLEX WITH PLP AND INHIBITOR COMPOUND 2
Descriptor: 3-(5-chloranyl-2,4-dimethoxy-phenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione, Branched-chain-amino-acid aminotransferase, cytosolic, ...
Authors:Hillig, R.C.
Deposit date:2021-03-16
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:BAY-069, a Novel (Trifluoromethyl)pyrimidinedione-Based BCAT1/2 Inhibitor and Chemical Probe.
J.Med.Chem., 65, 2022
7NY2
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BU of 7ny2 by Molmil
CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC BRANCHED-CHAIN AMINOTRANSFERASE (BCAT1) IN COMPLEX WITH PLP AND SMALL MOLECULE INHIBITOR COMPOUND 35
Descriptor: 4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-2-(2-methylphenoxy)naphthalene-1-carbonitrile, Branched-chain-amino-acid aminotransferase, cytosolic, ...
Authors:Hillig, R.C.
Deposit date:2021-03-19
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:BAY-069, a Novel (Trifluoromethyl)pyrimidinedione-Based BCAT1/2 Inhibitor and Chemical Probe.
J.Med.Chem., 65, 2022
7OV0
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BU of 7ov0 by Molmil
Orotidine 5'-monophosphate decarboxylase-domain of human UMPS in resting state at 0.95 Angstrom resolution
Descriptor: GLYCEROL, PROLINE, SULFATE ION, ...
Authors:Rindfleisch, S, Rabe von Pappenheim, F.
Deposit date:2021-06-14
Release date:2022-04-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis
Nat Catal, 5, 2022
3ZH3
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BU of 3zh3 by Molmil
crystal structure of S. pneumoniae D39 native MurA1
Descriptor: UDP-N-ACETYLGLUCOSAMINE 1-CARBOXYVINYLTRANSFERASE
Authors:Gutierrez-Fernandez, J, Hermoso, J.A.
Deposit date:2012-12-20
Release date:2013-04-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Heteroresistance to Fosfomycin is Predominant in Streptococcus Pneumoniae and Depends on Mura1 Gene.
Antimicrob.Agents Chemother., 57, 2013
3ZH4
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BU of 3zh4 by Molmil
crystal structure of S. pneumoniae Hungary 19A MurA1 in complex with citrate
Descriptor: CITRATE ANION, DI(HYDROXYETHYL)ETHER, UDP-N-ACETYLGLUCOSAMINE 1-CARBOXYVINYLTRANSFERASE
Authors:Gutierrez-Fernandez, J, Hermoso, J.A.
Deposit date:2012-12-20
Release date:2013-04-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Heteroresistance to Fosfomycin is Predominant in Streptococcus Pneumoniae and Depends on Mura1 Gene.
Antimicrob.Agents Chemother., 57, 2013
3ZGF
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BU of 3zgf by Molmil
Crystal structure of the Fucosylgalactoside alpha N- acetylgalactosaminyltransferase (GTA, cisAB mutant L266G, G268A) in complex with in complex with NPE caged UDP-Gal (P2(1)2(1)2(1) space group)
Descriptor: 1-(2-NITROPHENYL)ETHYL UDP-GALACTOSE, HISTO-BLOOD GROUP ABO SYSTEM TRANSFERASE, MANGANESE (II) ION, ...
Authors:Jorgensen, R, Batot, G.O, Hindsgaul, O, Tanaka, H, Perez, S, Imberty, A, Breton, C, Royant, A, Palcic, M.M.
Deposit date:2012-12-17
Release date:2013-01-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.701 Å)
Cite:Structures of a Human Blood Group Glycosyltransferase in Complex with a Photo-Activatable Udp-Gal Derivative Reveal Two Different Binding Conformations
Acta Crystallogr.,Sect.F, 70, 2014
6FK0
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BU of 6fk0 by Molmil
Xray structure of domain-swapped cystatin E dimer
Descriptor: Cystatin-M
Authors:Dall, E, Brandstetter, H.
Deposit date:2018-01-23
Release date:2018-07-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural and functional analysis of cystatin E reveals enzymologically relevant dimer and amyloid fibril states.
J. Biol. Chem., 293, 2018
6W9S
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BU of 6w9s by Molmil
Crystal structure of an OTU deubiquitinase from Escherichia albertii bound to ubiquitin
Descriptor: FORMIC ACID, OTU domain-containing protein EschOTU, Ubiquitin
Authors:Schubert, A.F, Pruneda, J.N, Komander, D.
Deposit date:2020-03-23
Release date:2020-07-01
Last modified:2020-08-12
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification and characterization of diverse OTU deubiquitinases in bacteria.
Embo J., 39, 2020
5FGK
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BU of 5fgk by Molmil
CDK8-CYCC IN COMPLEX WITH 8-[3-(3-Amino-1H-indazol-6-yl)-5-chloro- pyridine-4-yl]-2,8-diaza-spiro[4.5]decan-1-one
Descriptor: 1,2-ETHANEDIOL, 8-[3-(3-azanyl-2~{H}-indazol-6-yl)-5-chloranyl-pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one, Cyclin-C, ...
Authors:Musil, D, Blagg, J, Mallinger, A.
Deposit date:2015-12-20
Release date:2016-02-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Discovery of Potent, Selective, and Orally Bioavailable Small-Molecule Modulators of the Mediator Complex-Associated Kinases CDK8 and CDK19.
J.Med.Chem., 59, 2016
5HBH
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BU of 5hbh by Molmil
CDK8-CYCC IN COMPLEX WITH 5-{5-Chloro-4-[1-(2-methoxy-ethyl)-1,8-diaza-spiro[4.5]dec-8-yl]-pyridin-3-yl}-1-methyl-1,3-dihydro-benzo[c]isothiazole 2,2-dioxide
Descriptor: 1,2-ETHANEDIOL, 5-[5-chloranyl-4-[1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]pyridin-3-yl]-1-methyl-3~{H}-2,1-benzothiazole 2,2-dioxide, Cyclin-C, ...
Authors:Musil, D, Blagg, J, Mallinger, A.
Deposit date:2015-12-31
Release date:2016-02-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of Potent, Selective, and Orally Bioavailable Small-Molecule Modulators of the Mediator Complex-Associated Kinases CDK8 and CDK19.
J.Med.Chem., 59, 2016
6W9O
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BU of 6w9o by Molmil
Crystal structure of an OTU deubiquitinase from Wolbachia pipientis wMel
Descriptor: ACETATE ION, OTU domain-containing protein wMelOTU
Authors:Schubert, A.F, Pruneda, J.N, Komander, D.
Deposit date:2020-03-23
Release date:2020-07-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Identification and characterization of diverse OTU deubiquitinases in bacteria.
Embo J., 39, 2020
6W9R
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BU of 6w9r by Molmil
Crystal structure of an OTU deubiquitinase from Wolbachia pipientis wMel bound to ubiquitin
Descriptor: CITRATE ANION, OTU domain-containing protein wMelOTU, Ubiquitin
Authors:Schubert, A.F, Pruneda, J.N, Komander, D.
Deposit date:2020-03-23
Release date:2020-07-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Identification and characterization of diverse OTU deubiquitinases in bacteria.
Embo J., 39, 2020
5HBE
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BU of 5hbe by Molmil
CDK8-CYCC IN COMPLEX WITH 8-[3-Chloro-5-(1-methyl-2,2-dioxo-2, 3-dihydro-1H-2l6-benzo[c]isothiazol-5-yl)-pyridin- 4-yl]-1-oxa-3,8-diaza-spiro[4.5]decan-2-one
Descriptor: 1,2-ETHANEDIOL, 8-[3-chloranyl-5-[1-methyl-2,2-bis(oxidanylidene)-3~{H}-2,1-benzothiazol-5-yl]pyridin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one, Cyclin-C, ...
Authors:Musil, D, Blagg, J, Mallinger, A.
Deposit date:2015-12-31
Release date:2016-02-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Discovery of Potent, Selective, and Orally Bioavailable Small-Molecule Modulators of the Mediator Complex-Associated Kinases CDK8 and CDK19.
J.Med.Chem., 59, 2016
2QYF
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BU of 2qyf by Molmil
Crystal structure of the Mad2/p31(comet)/Mad2-binding peptide ternary complex
Descriptor: MAD2L1-binding protein, Mitotic spindle assembly checkpoint protein MAD2A, peptide
Authors:Tomchick, D.R, Luo, X.
Deposit date:2007-08-14
Release date:2008-01-29
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:p31comet blocks Mad2 activation through structural mimicry.
Cell(Cambridge,Mass.), 131, 2007
8B0A
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BU of 8b0a by Molmil
Cryo-EM structure of ALC1 bound to an asymmetric, site-specifically PARylated nucleosome
Descriptor: Chromodomain-helicase-DNA-binding protein 1-like, DNA (149-MER) Widom 601 sequence, Histone H2A type 1, ...
Authors:Bacic, L, Gaullier, G, Deindl, S.
Deposit date:2022-09-07
Release date:2023-09-20
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Asymmetric nucleosome PARylation at DNA breaks mediates directional nucleosome sliding by ALC1.
Nat Commun, 15, 2024
4DZO
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BU of 4dzo by Molmil
Structure of Human Mad1 C-terminal Domain Reveals Its Involvement in Kinetochore Targeting
Descriptor: Mitotic spindle assembly checkpoint protein MAD1
Authors:Luo, X, Sun, H, Tomchick, D.R.
Deposit date:2012-03-01
Release date:2012-04-11
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structure of human Mad1 C-terminal domain reveals its involvement in kinetochore targeting.
Proc.Natl.Acad.Sci.USA, 109, 2012
8BEO
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BU of 8beo by Molmil
Crystal structure of E. coli glyoxylate carboligase mutant I393A with MAP
Descriptor: (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2,3-DIMETHOXY-5-METHYL-1,4-BENZOQUINONE, ...
Authors:Shaanan, B, Binshtein, E.
Deposit date:2022-10-21
Release date:2023-11-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Crystal structure of E. coli glyoxylate carboligase mutant I393A with MAP
To Be Published

224572

數據於2024-09-04公開中

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