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4RA5
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BU of 4ra5 by Molmil
Human Protein Kinase C THETA IN COMPLEX WITH LIGAND COMPOUND 11a (6-[(1,3-Dimethyl-azetidin-3-yl)-methyl-amino]-4(R)-methyl-7-phenyl-2,10-dihydro-9-oxa-1,2,4a-triaza-phenanthren-3-one)
分子名称: (1R)-9-[(1,3-dimethylazetidin-3-yl)(methyl)amino]-1-methyl-8-phenyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one, 1,2-ETHANEDIOL, HUMAN PROTEIN KINASE C THETA, ...
著者Argiriadi, M.A, George, D.M.
登録日2014-09-09
公開日2014-10-08
最終更新日2015-02-04
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Optimized Protein Kinase C theta (PKC theta ) Inhibitors Reveal Only Modest Anti-inflammatory Efficacy in a Rodent Model of Arthritis.
J.Med.Chem., 58, 2015
4IFC
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BU of 4ifc by Molmil
Crystal Structure of ADP-bound Human PRPF4B kinase domain
分子名称: ADENOSINE-5'-DIPHOSPHATE, SULFATE ION, Serine/threonine-protein kinase PRP4 homolog
著者Mechin, I, Haas, K, Chen, X, Zhang, Y, McLean, L.
登録日2012-12-14
公開日2013-08-28
最終更新日2013-11-06
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Evaluation of Cancer Dependence and Druggability of PRP4 Kinase Using Cellular, Biochemical, and Structural Approaches.
J.Biol.Chem., 288, 2013
4IJP
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BU of 4ijp by Molmil
Crystal Structure of Human PRPF4B kinase domain in complex with 4-{5-[(2-Chloro-pyridin-4-ylmethyl)-carbamoyl]-thiophen-2-yl}-benzo[b]thiophene-2-carboxylic acid amine
分子名称: 4-(5-{[(2-chloropyridin-4-yl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide, SULFATE ION, Serine/threonine-protein kinase PRP4 homolog
著者Mechin, I, Haas, K, Chen, X, Zhang, Y, McLean, L.
登録日2012-12-22
公開日2013-08-28
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Evaluation of Cancer Dependence and Druggability of PRP4 Kinase Using Cellular, Biochemical, and Structural Approaches.
J.Biol.Chem., 288, 2013
4QQC
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BU of 4qqc by Molmil
Crystal Structure of FGF Receptor (FGFR) 4 Kinase Domain in Complex with FIIN-2, an Irreversible Tyrosine Kinase Inhibitor Capable of Overcoming FGFR Kinase Gate-Keeper Mutations
分子名称: Fibroblast growth factor receptor 4, N-(4-{[3-(3,5-dimethoxyphenyl)-7-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]methyl}phenyl)propanamide, SULFATE ION
著者Huang, Z, Mohammadi, M.
登録日2014-06-27
公開日2014-10-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Development of covalent inhibitors that can overcome resistance to first-generation FGFR kinase inhibitors.
Proc.Natl.Acad.Sci.USA, 111, 2014
4RA4
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BU of 4ra4 by Molmil
Crystal Structure of Human Protein Kinase C Alpha in Complex with Compound 28 ((R)-6-((3S,4S)-1,3-Dimethyl-piperidin-4-yl)-7-(2-fluoro-phenyl)-4-methyl-2,10-dihydro-9-oxa-1,2,4a-triaza-phenanthren-3-one)
分子名称: (1R)-9-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-8-(2-fluorophenyl)-1-methyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one, Protein kinase C
著者Argiriadi, M.A, George, D.M.
登録日2014-09-09
公開日2014-10-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献Optimized Protein Kinase C theta (PKC theta ) Inhibitors Reveal Only Modest Anti-inflammatory Efficacy in a Rodent Model of Arthritis.
J.Med.Chem., 58, 2015
4R6V
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BU of 4r6v by Molmil
Crystal Structure of FGF Receptor (FGFR) 4 Kinase Harboring the V550L Gate-Keeper Mutation in Complex with FIIN-3, an Irreversible Tyrosine Kinase Inhibitor Capable of Overcoming FGFR kinase Gate-Keeper Mutations
分子名称: Fibroblast growth factor receptor 4, N-[4-({[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino}methyl)phenyl]propanamide, SULFATE ION
著者Huang, Z, Mohammadi, M.
登録日2014-08-26
公開日2014-10-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.353 Å)
主引用文献Development of covalent inhibitors that can overcome resistance to first-generation FGFR kinase inhibitors.
Proc.Natl.Acad.Sci.USA, 111, 2014
4R3P
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BU of 4r3p by Molmil
Crystal structures of EGFR in complex with Mig6
分子名称: Epidermal growth factor receptor, peptide from ERBB receptor feedback inhibitor 1
著者Park, E, Kim, N, Yi, Z, Cho, A, Kim, K, Ficarro, S.B, Park, A, Park, W.Y, Murray, B, Meyerson, M, Beroukim, R, Marto, J.A, Cho, J, Eck, M.J.
登録日2014-08-17
公開日2015-08-12
最終更新日2015-09-16
実験手法X-RAY DIFFRACTION (2.905 Å)
主引用文献Structure and mechanism of activity-based inhibition of the EGF receptor by Mig6.
Nat.Struct.Mol.Biol., 22, 2015
4RFL
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BU of 4rfl by Molmil
Crystal structure of G1PDH with NADPH from Methanocaldococcus jannaschii
分子名称: 1,2-ETHANEDIOL, Glycerol-1-phosphate dehydrogenase [NAD(P)+], NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Carbone, V, Ronimus, R.S, Schofield, L.R, Sutherland-Smith, A.J.
登録日2014-09-26
公開日2015-07-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure and Evolution of the Archaeal Lipid Synthesis Enzyme sn-Glycerol-1-phosphate Dehydrogenase.
J.Biol.Chem., 290, 2015
4RGQ
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BU of 4rgq by Molmil
Crystal structure of the Methanocaldococcus jannaschii G1PDH with NADPH and DHAP
分子名称: 1,2-ETHANEDIOL, 1,3-DIHYDROXYACETONEPHOSPHATE, Glycerol-1-phosphate dehydrogenase, ...
著者Carbone, V, Ronimus, R.S, Schofield, L.R, Sutherland-Smith, A.J.
登録日2014-09-30
公開日2015-07-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Structure and Evolution of the Archaeal Lipid Synthesis Enzyme sn-Glycerol-1-phosphate Dehydrogenase.
J.Biol.Chem., 290, 2015
4RGV
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BU of 4rgv by Molmil
Crystal structure of the Methanocaldococcus jannaschii G1PDH
分子名称: Glycerol-1-phosphate dehydrogenase, MAGNESIUM ION, ZINC ION
著者Carbone, V, Ronimus, R.S, Schofield, L.R, Sutherland-Smith, A.J.
登録日2014-09-30
公開日2015-07-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structure and Evolution of the Archaeal Lipid Synthesis Enzyme sn-Glycerol-1-phosphate Dehydrogenase.
J.Biol.Chem., 290, 2015
4AAH
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BU of 4aah by Molmil
METHANOL DEHYDROGENASE FROM METHYLOPHILUS W3A1
分子名称: CALCIUM ION, METHANOL DEHYDROGENASE, PYRROLOQUINOLINE QUINONE
著者Mathews, F.S, Xia, Z.-X.
登録日1996-03-10
公開日1996-12-07
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Determination of the gene sequence and the three-dimensional structure at 2.4 angstroms resolution of methanol dehydrogenase from Methylophilus W3A1.
J.Mol.Biol., 259, 1996
4P6G
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BU of 4p6g by Molmil
Crystal Structure of Human Cathepsin S Bound to a Non-covalent Inhibitor.
分子名称: (3R,4S)-4-[(4-fluorobenzoyl)amino]-6-[4-(oxetan-3-yl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl methylcarbamate, Cathepsin S
著者Wang, Y, Jadhav, P.K.
登録日2014-03-24
公開日2014-10-29
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Discovery of Cathepsin S Inhibitor LY3000328 for the Treatment of Abdominal Aortic Aneurysm.
Acs Med.Chem.Lett., 5, 2014
4TLW
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BU of 4tlw by Molmil
CARDS TOXIN, FULL-LENGTH
分子名称: ADP-ribosylating toxin CARDS
著者Becker, A, GALALELDEEN, A, Taylor, A.B, Hart, P.J.
登録日2014-05-30
公開日2015-04-08
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structure of CARDS toxin, a unique ADP-ribosylating and vacuolating cytotoxin from Mycoplasma pneumoniae.
Proc.Natl.Acad.Sci.USA, 112, 2015
4YMQ
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BU of 4ymq by Molmil
X-ray co-structure of nuclear receptor ROR-GAMMAT + SRC2 peptide with a benzothiadiazole dioxide inverse agonist
分子名称: 4-{3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzyl]-2,2-dioxido-2,1,3-benzothiadiazol-1(3H)-yl}-N-[(2R)-4-hydroxybutan-2-yl]-N-methylbutanamide, GLYCEROL, Nuclear receptor ROR-gamma, ...
著者li, X.
登録日2015-03-07
公開日2015-04-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of 1,3-dihydro-2,1,3-benzothiadiazole 2,2-dioxide analogs as new RORC modulators.
Bioorg.Med.Chem.Lett., 25, 2015
4TLV
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BU of 4tlv by Molmil
CARDS TOXIN, NICKED
分子名称: ACETATE ION, ADP-ribosylating toxin CARDS, GLYCEROL, ...
著者Taylor, A.B, Pakhomova, O.N, Hart, P.J.
登録日2014-05-30
公開日2015-04-08
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of CARDS toxin, a unique ADP-ribosylating and vacuolating cytotoxin from Mycoplasma pneumoniae.
Proc.Natl.Acad.Sci.USA, 112, 2015
4MXL
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BU of 4mxl by Molmil
X-ray structure of ZnPFeBMb1
分子名称: Myoglobin, PROTOPORPHYRIN IX CONTAINING ZN
著者Chakraborty, S, Lu, Y, Petrik, I.
登録日2013-09-26
公開日2014-02-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Spectroscopic and computational study of a nonheme iron nitrosyl center in a biosynthetic model of nitric oxide reductase.
Angew.Chem.Int.Ed.Engl., 53, 2014
4ZPV
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BU of 4zpv by Molmil
Structure of MERS-Coronavirus Spike Receptor-binding Domain (England1 Strain) in Complex with Vaccine-Elicited Murine Neutralizing Antibody D12 (Crystal Form 2)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, D12 Fab Heavy chain, D12 Fab light chain, ...
著者Joyce, M.G, Mascola, J.R, Graham, B.S, Kwong, P.D.
登録日2015-05-08
公開日2015-10-21
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Evaluation of candidate vaccine approaches for MERS-CoV.
Nat Commun, 6, 2015
4ZPW
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BU of 4zpw by Molmil
Structure of unbound MERS-CoV spike receptor-binding domain (England1 strain).
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, PHOSPHATE ION, Spike glycoprotein
著者Joyce, M.G, Mascola, J.R, Graham, B.S, Kwong, P.D.
登録日2015-05-08
公開日2015-08-12
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.023 Å)
主引用文献Evaluation of candidate vaccine approaches for MERS-CoV.
Nat Commun, 6, 2015
4P6E
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BU of 4p6e by Molmil
Crystal Structure of Human Cathepsin S Bound to a Non-covalent Inhibitor
分子名称: Cathepsin S, N-[(8R)-8-(benzoylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]-4-methylpiperazine-1-carboxamide, SULFATE ION
著者Wang, Y, Jadhav, P.K, Deng, G.G.
登録日2014-03-24
公開日2014-10-29
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of Cathepsin S Inhibitor LY3000328 for the Treatment of Abdominal Aortic Aneurysm.
Acs Med.Chem.Lett., 5, 2014
4ZJV
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BU of 4zjv by Molmil
crystal structure of EGFR kinase domain in complex with Mitogen-inducible gene 6 protein
分子名称: ERBB receptor feedback inhibitor 1, Epidermal growth factor receptor
著者Eck, M.J, Park, E, Lee, B.
登録日2015-04-29
公開日2015-08-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure and mechanism of activity-based inhibition of the EGF receptor by Mig6.
Nat.Struct.Mol.Biol., 22, 2015
5WUU
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BU of 5wuu by Molmil
Complex structure of the first bromodomain of BRD4 with an inhibitor that containing a 2H-chromen-2-one ring
分子名称: Bromodomain-containing protein 4, ~{N}-methyl-~{N}-[3-[(2-oxidanylidenechromen-4-yl)amino]propyl]thiophene-2-carboxamide
著者Zhang, H, Sun, Z.Y.
登録日2016-12-21
公開日2017-04-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.724 Å)
主引用文献Discovery of novel BRD4 inhibitors by high-throughput screening, crystallography, and cell-based assays.
Bioorg. Med. Chem. Lett., 27, 2017
4NQJ
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BU of 4nqj by Molmil
Structure of coiled-coil domain
分子名称: DODECYL-BETA-D-MALTOSIDE, E3 ubiquitin-protein ligase TRIM69
著者Yang, M, Li, Y.
登録日2013-11-25
公開日2014-05-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.152 Å)
主引用文献Structural insights into the TRIM family of ubiquitin E3 ligases.
Cell Res., 24, 2014
4IIR
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BU of 4iir by Molmil
Crystal Structure of AMPPNP-bound Human PRPF4B kinase domain
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SULFATE ION, ...
著者Mechin, I, Haas, K, Chen, X, Zhang, Y, McLean, L.
登録日2012-12-20
公開日2013-08-28
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Evaluation of Cancer Dependence and Druggability of PRP4 Kinase Using Cellular, Biochemical, and Structural Approaches.
J.Biol.Chem., 288, 2013
5AEA
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BU of 5aea by Molmil
Crystal structure of human NCAM domain 1
分子名称: CITRATE ANION, NEURAL CELL ADHESION MOLECULE 1
著者Kvansakul, M, Griffiths, K, Foley, M.
登録日2015-08-27
公開日2016-04-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献I-Bodies, Human Single Domain Antibodies that Antagonize Chemokine Receptor Cxcr4.
J.Biol.Chem., 291, 2016
7OLF
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BU of 7olf by Molmil
Crystal structure of FMNH2-dependent monooxygenase from Agrobacterium tumefaciens for oxidative desulfurization of sulfoquinovose
分子名称: Methanesulfonate sulfonatase
著者Sharma, M, Davies, G.J.
登録日2021-05-19
公開日2022-02-02
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Oxidative desulfurization pathway for complete catabolism of sulfoquinovose by bacteria.
Proc.Natl.Acad.Sci.USA, 119, 2022

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