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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
5LSB
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BU of 5lsb by Molmil
Crystal structure of yeast Hsh49p in complex with Cus1p binding domain.
Descriptor: Cold sensitive U2 snRNA suppressor 1, Protein HSH49
Authors:van Roon, A.M, Obayashi, E, Sposito, B, Oubridge, C, Nagai, K.
Deposit date:2016-08-24
Release date:2017-04-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of U2 snRNP SF3b components: Hsh49p in complex with Cus1p-binding domain.
RNA, 23, 2017
5LSP
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BU of 5lsp by Molmil
107_A07 Fab in complex with fragment of the Met receptor
Descriptor: 107_A07 Fab heavy chain, 107_A07 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:DiCara, D, Chirgadze, D.Y, Pope, A, Karatt-Vellatt, A, Winter, A, van den Heuvel, J, Gherardi, E, McCafferty, J.
Deposit date:2016-09-05
Release date:2017-09-13
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.605 Å)
Cite:Characterization and structural determination of a new anti-MET function-blocking antibody with binding epitope distinct from the ligand binding domain.
Sci Rep, 7, 2017
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
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
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
4W63
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BU of 4w63 by Molmil
TORPEDO CALIFORNICA ACETYLCHOLINESTERASE IN COMPLEX WITH A TACRINE-BENZOFURAN HYBRID INHIBITOR
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ...
Authors:Pesaresi, A, Samez, S, Lamba, D.
Deposit date:2014-08-20
Release date:2015-09-09
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Novel Tacrine-Benzofuran Hybrids as Potent Multitarget-Directed Ligands for the Treatment of Alzheimer's Disease: Design, Synthesis, Biological Evaluation, and X-ray Crystallography.
J.Med.Chem., 59, 2016
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
6CMN
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BU of 6cmn by Molmil
Co-Crystal Structure of HIV-1 TAR Bound to Lab-Evolved RRM TBP6.7
Descriptor: TAR-Binding Protein 6.7, Trans-Activation Response RNA Element
Authors:Belashov, I.A, Wedekind, J.E.
Deposit date:2018-03-05
Release date:2018-06-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.796 Å)
Cite:Structure of HIV TAR in complex with a Lab-Evolved RRM provides insight into duplex RNA recognition and synthesis of a constrained peptide that impairs transcription.
Nucleic Acids Res., 46, 2018
7N96
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BU of 7n96 by Molmil
Crystal structure of D103A human Galectin-7 mutant
Descriptor: GLYCEROL, Galectin-7
Authors:Pham, N.T.H, Calmettes, C, Doucet, N.
Deposit date:2021-06-16
Release date:2023-01-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Crystal structure of D103A human Galectin-7 mutant
To Be Published
7N8G
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BU of 7n8g by Molmil
Crystal structure of R20A-R22A human Galectin-7 mutant
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ...
Authors:Pham, N.T.H, Calmettes, C, Doucet, N.
Deposit date:2021-06-14
Release date:2023-01-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of R20A human Galectin-7 mutant
To Be Published
5LHE
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BU of 5lhe by Molmil
Phosphoribosyl anthranilate isomerase from Thermococcus kodakaraensis
Descriptor: N-(5'-phosphoribosyl)anthranilate isomerase, SODIUM ION
Authors:Perveen, S, Rashid, N, Papageorgiou, A.C.
Deposit date:2016-07-11
Release date:2016-11-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of a phosphoribosyl anthranilate isomerase from the hyperthermophilic archaeon Thermococcus kodakaraensis.
Acta Crystallogr F Struct Biol Commun, 72, 2016
4W4O
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BU of 4w4o by Molmil
High-resolution crystal structure of Fc bound to its human receptor Fc-gamma-RI
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, GLYCEROL, ...
Authors:Caaveiro, J.M.M, Kiyoshi, M, Tsumoto, K.
Deposit date:2014-08-15
Release date:2015-04-29
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for binding of human IgG1 to its high-affinity human receptor Fc gamma RI
Nat Commun, 6, 2015
5LKE
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BU of 5lke by Molmil
Bovine beta-lactoglobulin complex with myristic acid, ambient pressure
Descriptor: Beta-lactoglobulin, MYRISTIC ACID
Authors:Kurpiewska, K, Lewinski, K, Garbacz, K.
Deposit date:2016-07-22
Release date:2016-08-10
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Towards understanding the effect of high pressure on food protein allergenicity: beta-lactoglobulin structural studies.
Food Chem, 270, 2019
7O2N
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BU of 7o2n by Molmil
Crystal structure of B. subtilis UGPase YngB
Descriptor: Probable UTP--glucose-1-phosphate uridylyltransferase YngB
Authors:Wu, C.
Deposit date:2021-03-30
Release date:2021-04-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural and Functional Characterisation of the Bacillus subtilis Uridylyltransferase YngB
Ph.D.Thesis, 2021
6CRK
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BU of 6crk by Molmil
Heterotrimeric G-protein in complex with an antibody fragment
Descriptor: CITRATE ANION, GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Maeda, S, Dawson, R, Kobilka, B.
Deposit date:2018-03-19
Release date:2018-10-24
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Development of an antibody fragment that stabilizes GPCR/G-protein complexes.
Nat Commun, 9, 2018
7O74
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BU of 7o74 by Molmil
Structure of cyanase from Pseudomonas lactis
Descriptor: CHLORIDE ION, Cyanate hydratase
Authors:Brag, S, Driller, J.H, Pedersen, B.P.
Deposit date:2021-04-12
Release date:2021-04-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Structure determination and analysis of unintentionally crystallized cyanase from Pseudomonas lactis
To Be Published
7OBF
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BU of 7obf by Molmil
Crystal structure of the human VH antibody domain HEL4
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, HEL4, ...
Authors:Belviso, B.D, Caliandro, R, Carrozzini, B.
Deposit date:2021-04-22
Release date:2021-05-05
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.699 Å)
Cite:Crystal structure of the human VH antibody domain HEL4
To Be Published
7O0T
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BU of 7o0t by Molmil
Crystal structure of Chloroflexus aggregans ene-reductase CaOYE holoenzyme
Descriptor: FLAVIN MONONUCLEOTIDE, MALONATE ION, NADH:flavin oxidoreductase/NADH oxidase
Authors:Robescu, M.S, Niero, M, Loprete, G, Bergantino, E, Cendron, L.
Deposit date:2021-03-26
Release date:2021-05-05
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A New Thermophilic Ene-Reductase from the Filamentous Anoxygenic Phototrophic Bacterium Chloroflexus aggregans .
Microorganisms, 9, 2021
7OC9
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BU of 7oc9 by Molmil
Structure of Bdellovibrio bacteriovorus Bd0675
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Bd0675, GLYCEROL, ...
Authors:Lovering, A.L, Valdivia-Delgado, M.
Deposit date:2021-04-26
Release date:2021-05-05
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Target highlights in CASP14: Analysis of models by structure providers.
Proteins, 89, 2021
5LOI
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BU of 5loi by Molmil
Crystal structure of Myceliophthora thermophila Rad26 (residues 373-841)
Descriptor: Rad26
Authors:Andersen, K.R.
Deposit date:2016-08-09
Release date:2017-03-29
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3.153 Å)
Cite:Insights into Rad3 kinase recruitment from the crystal structure of the DNA damage checkpoint protein Rad26.
J. Biol. Chem., 292, 2017

243083

数据于2025-10-15公开中

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