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1VJI
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BU of 1vji by Molmil
Gene Product of At1g76680 from Arabidopsis thaliana
Descriptor: 12-oxophytodienoate reductase (OPR1), FLAVIN MONONUCLEOTIDE
Authors:Wesenberg, G.E, Smith, D.W, Phillips Jr, G.N, Johnson, K.A, Bingman, C.A, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2004-02-24
Release date:2004-03-16
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.003 Å)
Cite:X-ray structure of Arabidopsis At1g77680, 12-oxophytodienoate reductase isoform 1.
Proteins, 61, 2005
4P3C
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BU of 4p3c by Molmil
MT1-MMP:Fab complex (Form I)
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, ...
Authors:Rozenberg, H, Udi, Y, Sagi, I.
Deposit date:2014-03-06
Release date:2014-12-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.943 Å)
Cite:Inhibition mechanism of membrane metalloprotease by an exosite-swiveling conformational antibody.
Structure, 23, 2015
4P75
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BU of 4p75 by Molmil
PheRS in complex with compound 4a
Descriptor: 3-(3-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit
Authors:Ferguson, A.D.
Deposit date:2014-03-25
Release date:2014-06-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability.
J.Biol.Chem., 289, 2014
4PH1
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BU of 4ph1 by Molmil
C-terminal domain of capsid protein from bovine leukemia virus
Descriptor: BLV capsid
Authors:Trajtenberg, F, Obal, G, Pritsch, O, Buschiazzo, A.
Deposit date:2014-05-03
Release date:2015-06-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:STRUCTURAL VIROLOGY. Conformational plasticity of a native retroviral capsid revealed by x-ray crystallography.
Science, 349, 2015
4PH3
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BU of 4ph3 by Molmil
N-terminal domain of the capsid protein from bovine leukaemia virus (with no beta-hairpin)
Descriptor: BLV capsid, GLYCEROL, IODIDE ION
Authors:Trajtenberg, F, Obal, G, Pritsch, O, Buschiazzo, A.
Deposit date:2014-05-03
Release date:2015-06-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:STRUCTURAL VIROLOGY. Conformational plasticity of a native retroviral capsid revealed by x-ray crystallography.
Science, 349, 2015
4TRK
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BU of 4trk by Molmil
Structure of C. elegans HIM-3
Descriptor: C. elegans HIM-3
Authors:Rosenberg, S.C, Corbett, K.D.
Deposit date:2014-06-17
Release date:2014-11-19
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.751 Å)
Cite:The Chromosome Axis Controls Meiotic Events through a Hierarchical Assembly of HORMA Domain Proteins.
Dev.Cell, 31, 2014
4TVJ
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BU of 4tvj by Molmil
HUMAN ARTD2 (PARP2) - CATALYTIC DOMAIN IN COMPLEX WITH OLAPARIB
Descriptor: 4-(3-{[4-(cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorobenzyl)phthalazin-1(2H)-one, GLYCEROL, Poly [ADP-ribose] polymerase 2
Authors:Karlberg, T, Thorsell, A.G, Ekblad, T, Pinto, A.F, Schuler, H.
Deposit date:2014-06-27
Release date:2015-07-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Basis for Potency and Promiscuity in Poly(ADP-ribose) Polymerase (PARP) and Tankyrase Inhibitors.
J. Med. Chem., 60, 2017
4TZQ
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BU of 4tzq by Molmil
Structure of C. elegans HTP-1 bound to HTP-3 motif-1
Descriptor: Protein HTP-1, Protein HTP-3
Authors:Rosenberg, S.C, Corbett, K.D.
Deposit date:2014-07-10
Release date:2014-11-19
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Chromosome Axis Controls Meiotic Events through a Hierarchical Assembly of HORMA Domain Proteins.
Dev.Cell, 31, 2014
4TZL
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BU of 4tzl by Molmil
Structure of C. elegans HTP-2 bound to HIM-3 closure motif, P21 form
Descriptor: C. elegans HIM-3 closure motif, Protein HTP-2
Authors:Rosenberg, S.C, Corbett, K.D.
Deposit date:2014-07-10
Release date:2014-11-19
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.537 Å)
Cite:The Chromosome Axis Controls Meiotic Events through a Hierarchical Assembly of HORMA Domain Proteins.
Dev.Cell, 31, 2014
4TZS
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BU of 4tzs by Molmil
Structure of C. elegans HTP-2 bound to HIM-3 closure motif, P212121 form
Descriptor: C. elegans HIM-3 closure motif, Protein HTP-2
Authors:Rosenberg, S.C, Corbett, K.D.
Deposit date:2014-07-10
Release date:2014-11-19
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:The Chromosome Axis Controls Meiotic Events through a Hierarchical Assembly of HORMA Domain Proteins.
Dev.Cell, 31, 2014
4TZO
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BU of 4tzo by Molmil
Structure of C. elegans HTP-1 bound to HIM-3 closure motif
Descriptor: C. elegans HIM-3 closure motif, Protein HTP-1
Authors:Rosenberg, S.C, Corbett, K.D.
Deposit date:2014-07-10
Release date:2014-11-19
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The Chromosome Axis Controls Meiotic Events through a Hierarchical Assembly of HORMA Domain Proteins.
Dev.Cell, 31, 2014
6A6T
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BU of 6a6t by Molmil
Crystal structure of the modified fructosyl peptide oxidase from Aspergillus nidulans with R61G mutation
Descriptor: (4S,5S)-1,2-DITHIANE-4,5-DIOL, FLAVIN-ADENINE DINUCLEOTIDE, Fructosyl amine: oxygen oxidoreductase, ...
Authors:Ogawa, N, Maruyama, Y, Itoh, T, Hashimoto, W, Murata, K.
Deposit date:2018-06-29
Release date:2019-05-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:Creation of haemoglobin A1c direct oxidase from fructosyl peptide oxidase by combined structure-based site specific mutagenesis and random mutagenesis.
Sci Rep, 9, 2019
6A6V
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BU of 6a6v by Molmil
Crystal structure of the modified fructosyl peptide oxidase from Aspergillus nidulans with 7 additional mutations, in complex with FSA
Descriptor: 1-S-(carboxymethyl)-1-thio-beta-D-fructopyranose, FLAVIN-ADENINE DINUCLEOTIDE, Fructosyl amine: oxygen oxidoreductase
Authors:Ogawa, N, Maruyama, Y, Itoh, T, Hashimoto, W, Murata, K.
Deposit date:2018-06-29
Release date:2019-05-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Creation of haemoglobin A1c direct oxidase from fructosyl peptide oxidase by combined structure-based site specific mutagenesis and random mutagenesis.
Sci Rep, 9, 2019
6A6R
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BU of 6a6r by Molmil
Crystal structure of the modified fructosyl peptide oxidase from Aspergillus nidulans, Seleno-methionine Derivative
Descriptor: (4S,5S)-1,2-DITHIANE-4,5-DIOL, FLAVIN-ADENINE DINUCLEOTIDE, Fructosyl amine: oxygen oxidoreductase, ...
Authors:Ogawa, N, Maruyama, Y, Itoh, T, Hashimoto, W, Murata, K.
Deposit date:2018-06-29
Release date:2019-05-15
Method:X-RAY DIFFRACTION (2.609 Å)
Cite:Creation of haemoglobin A1c direct oxidase from fructosyl peptide oxidase by combined structure-based site specific mutagenesis and random mutagenesis.
Sci Rep, 9, 2019
6Z45
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BU of 6z45 by Molmil
CDK9-Cyclin-T1 complex bound by compound 24
Descriptor: (1~{S},3~{R})-3-acetamido-~{N}-[5-chloranyl-4-(5,5-dimethyl-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl)pyridin-2-yl]cyclohexane-1-carboxamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cyclin-T1, ...
Authors:Ferguson, A, Collie, G.W.
Deposit date:2020-05-22
Release date:2020-12-23
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.37 Å)
Cite:Discovery of AZD4573, a Potent and Selective Inhibitor of CDK9 That Enables Short Duration of Target Engagement for the Treatment of Hematological Malignancies.
J.Med.Chem., 63, 2020
6V8K
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BU of 6v8k by Molmil
Crystal structure of the p300 acetyltransferase domain with peptide-competitive inhibitor 2
Descriptor: 1-(2-methyl-1H-indol-3-yl)-2-[(2R)-2-methylpiperidin-1-yl]ethan-1-one, COENZYME A, DIMETHYL SULFOXIDE, ...
Authors:Gardberg, A.S.
Deposit date:2019-12-11
Release date:2020-04-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Early Drug-Discovery Efforts towards the Identification of EP300/CBP Histone Acetyltransferase (HAT) Inhibitors.
Chemmedchem, 15, 2020
6V8N
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BU of 6v8n by Molmil
Crystal structure of the p300 acetyltransferase domain with AcCoA competitive inhibitor 17
Descriptor: (2R)-2-{[(2S)-2-(4-cyanophenyl)propyl]amino}-N-[5-(1-methyl-1H-pyrazol-4-yl)pyridin-2-yl]-2-phenylacetamide, CHLORIDE ION, Histone acetyltransferase p300, ...
Authors:Gardberg, A.S, Wilson, J.E.
Deposit date:2019-12-11
Release date:2020-04-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Early Drug-Discovery Efforts towards the Identification of EP300/CBP Histone Acetyltransferase (HAT) Inhibitors.
Chemmedchem, 15, 2020
6ZVQ
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BU of 6zvq by Molmil
Complex between SMAD2 MH2 domain and peptide from Ski corepressor
Descriptor: D(-)-TARTARIC ACID, GLYCEROL, Mothers against decapentaplegic homolog 2, ...
Authors:Purkiss, A.G, Kjaer, S, George, R, Hill, C.S.
Deposit date:2020-07-27
Release date:2021-06-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Mutations in SKI in Shprintzen-Goldberg syndrome lead to attenuated TGF-beta responses through SKI stabilization.
Elife, 10, 2021
7NED
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BU of 7ned by Molmil
Thiourocanate hydratase from Paenibacillus sp. Soil724D2 in complex with cofactor NAD+ and urocanate
Descriptor: (2E)-3-(1H-IMIDAZOL-4-YL)ACRYLIC ACID, 1,2-ETHANEDIOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Leisinger, F, Seebeck, F.P.
Deposit date:2021-02-03
Release date:2021-02-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:In Vitro Reconstitution of a Five-Step Pathway for Bacterial Ergothioneine Catabolism.
Acs Chem.Biol., 16, 2021
1SRX
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BU of 1srx by Molmil
THREE-DIMENSIONAL STRUCTURE OF ESCHERICHIA COLI THIOREDOXIN-S2 TO 2.8 ANGSTROMS RESOLUTION
Descriptor: THIOREDOXIN
Authors:Soderberg, B.-O.
Deposit date:1976-05-06
Release date:1976-05-19
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Three-dimensional structure of Escherichia coli thioredoxin-S2 to 2.8 A resolution.
Proc.Natl.Acad.Sci.USA, 72, 1975
6V90
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BU of 6v90 by Molmil
Crystal structure of the p300 acetyltransferase domain with AcCoA competitive inhibitor 12
Descriptor: (2R)-2-{[2-(4-cyanophenyl)ethyl]amino}-N-[5-(1-methyl-1H-pyrazol-4-yl)pyridin-2-yl]-2-phenylacetamide, CHLORIDE ION, Histone acetyltransferase p300, ...
Authors:Gardberg, A.S.
Deposit date:2019-12-12
Release date:2020-04-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Early Drug-Discovery Efforts towards the Identification of EP300/CBP Histone Acetyltransferase (HAT) Inhibitors.
Chemmedchem, 15, 2020
6V8B
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BU of 6v8b by Molmil
Crystal structure of the p300 acetyltransferase domain with AcCoA competitive inhibitor 1
Descriptor: 4-(2-{[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino}ethyl)benzene-1-sulfonamide, CHLORIDE ION, Histone acetyltransferase p300, ...
Authors:Gardberg, A.S.
Deposit date:2019-12-10
Release date:2020-04-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.13 Å)
Cite:Early Drug-Discovery Efforts towards the Identification of EP300/CBP Histone Acetyltransferase (HAT) Inhibitors.
Chemmedchem, 15, 2020
6NCX
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BU of 6ncx by Molmil
Crystal structure of GH2 beta-galacturonidase from Eisenbergiella tayi bound to galacturonate
Descriptor: Beta-galacturonidase, CHLORIDE ION, alpha-D-galactopyranuronic acid
Authors:Walton, W.G, Pellock, S.J, Redinbo, M.R.
Deposit date:2018-12-12
Release date:2019-02-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Selecting a Single Stereocenter: The Molecular Nuances That Differentiate beta-Hexuronidases in the Human Gut Microbiome.
Biochemistry, 58, 2019
6YGF
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BU of 6ygf by Molmil
NADase from Aspergillus fumigatus with trapped reaction products
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, AfNADase, ...
Authors:Stromland, O, Ziegler, M, Kallio, J.P.
Deposit date:2020-03-27
Release date:2020-12-23
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of fungal surface NADases predominantly present in pathogenic species.
Nat Commun, 12, 2021
6YGE
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BU of 6yge by Molmil
NADase from Aspergillus fumigatus
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, AfNADase, ...
Authors:Stromland, O, Ziegler, M, Kallio, J.P.
Deposit date:2020-03-27
Release date:2020-12-23
Last modified:2021-07-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of fungal surface NADases predominantly present in pathogenic species.
Nat Commun, 12, 2021

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数据于2024-10-16公开中

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