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4FZ3
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BU of 4fz3 by Molmil
Crystal structure of SIRT3 in complex with acetyl p53 peptide coupled with 4-amino-7-methylcoumarin
分子名称: NAD-dependent protein deacetylase sirtuin-3, mitochondrial, ZINC ION, ...
著者Liu, D, Wu, J, Zhang, D, Chen, K, Jiang, H, Liu, H.
登録日2012-07-06
公開日2013-03-20
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery and Mechanism Study of SIRT1 Activators that Promote the Deacetylation of Fluorophore-Labeled Substrate
J.Med.Chem., 56, 2013
3WB9
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BU of 3wb9 by Molmil
Crystal Structures of meso-diaminopimelate dehydrogenase from Symbiobacterium thermophilum
分子名称: Diaminopimelate dehydrogenase, GLYCEROL
著者Liu, W.D, Li, Z, Huang, C.H, Guo, R.T, Wu, Q.Q, Zhu, D.M.
登録日2013-05-14
公開日2014-03-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structural and mutational studies on the unusual substrate specificity of meso-diaminopimelate dehydrogenase from Symbiobacterium thermophilum.
Chembiochem, 15, 2014
3WBF
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BU of 3wbf by Molmil
Crystal Structure of meso-diaminopimelate dehydrogenase from Symbiobacterium thermophilum co-crystallized with NADP+ and DAP
分子名称: 2,6-DIAMINOPIMELIC ACID, Diaminopimelate dehydrogenase, GLYCEROL, ...
著者Liu, W.D, Li, Z, Huang, C.H, Guo, R.T, Wu, Q.Q, Zhu, D.M.
登録日2013-05-15
公開日2014-03-26
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Structural and mutational studies on the unusual substrate specificity of meso-diaminopimelate dehydrogenase from Symbiobacterium thermophilum.
Chembiochem, 15, 2014
3WBB
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BU of 3wbb by Molmil
Crystal Structures of meso-diaminopimelate dehydrogenase from Symbiobacterium thermophilum
分子名称: Diaminopimelate dehydrogenase, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Liu, W.D, Li, Z, Huang, C.H, Guo, R.T, Wu, Q.Q, Zhu, D.M.
登録日2013-05-14
公開日2014-03-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structural and mutational studies on the unusual substrate specificity of meso-diaminopimelate dehydrogenase from Symbiobacterium thermophilum.
Chembiochem, 15, 2014
7E3O
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BU of 7e3o by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody nCoV617
分子名称: Spike protein S1, nCoV617 Heigh Chain, nCoV617 Light Chain
著者Chen, S.D, Yang, M.
登録日2021-02-09
公開日2021-09-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Structural Basis of a Human Neutralizing Antibody Specific to the SARS-CoV-2 Spike Protein Receptor-Binding Domain.
Microbiol Spectr, 9, 2021
3CWG
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BU of 3cwg by Molmil
Unphosphorylated mouse STAT3 core fragment
分子名称: Signal transducer and activator of transcription 3
著者Ren, Z, Mao, X, Mertens, C, Krishnaraj, R, Qin, J, Mandal, P.K, Romanowshi, M.J, McMurray, J.S.
登録日2008-04-21
公開日2008-07-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Crystal structure of unphosphorylated STAT3 core fragment.
Biochem.Biophys.Res.Commun., 374, 2008
8W5C
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BU of 8w5c by Molmil
Crystal structure of FGFR4 kinase domain in complex with 8K
分子名称: Fibroblast growth factor receptor 4, N-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-5-methanoyl-6-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-yl-pyrrolo[3,2-b]pyridine-3-carboxamide
著者Zhang, Z.M, Huang, H.S.
登録日2023-08-26
公開日2024-07-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of 6-Formylpyridyl Urea Derivatives as Potent Reversible-Covalent Fibroblast Growth Factor Receptor 4 Inhibitors with Improved Anti-Hepatocellular Carcinoma Activity.
J.Med.Chem., 67, 2024
7DTZ
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FGFR4 complex with a covalent inhibitor
分子名称: Fibroblast growth factor receptor 4, N-[2-[[5-[[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]methoxy]pyrimidin-2-yl]amino]-3-methyl-phenyl]-2-fluoranyl-prop-2-enamide, SULFATE ION
著者Chen, X.J, Dai, S.Y, Chen, Y.H.
登録日2021-01-07
公開日2021-04-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Investigation of Covalent Warheads in the Design of 2-Aminopyrimidine-based FGFR4 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
4IMC
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BU of 4imc by Molmil
Crystal Structure of Pasteurella multocida N-Acetyl-D-Neuraminic acid lyase
分子名称: 1,2-ETHANEDIOL, N-acetylneuraminate lyase, PHOSPHATE ION
著者Fisher, A.J, Huynh, N.
登録日2013-01-02
公開日2013-11-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural Basis for Substrate Specificity and Mechanism of N-Acetyl-d-neuraminic Acid Lyase from Pasteurella multocida.
Biochemistry, 52, 2013
4IMD
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Crystal Structure of Pasteurella multocida N-Acetyl-D-Neuraminic acid lyase trapped with pyruvate covalently bound through a Schiff base to Lys164
分子名称: 1,2-ETHANEDIOL, N-acetylneuraminate lyase, PHOSPHATE ION
著者Fisher, A.J, Huynh, N.
登録日2013-01-02
公開日2013-11-06
最終更新日2013-12-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Basis for Substrate Specificity and Mechanism of N-Acetyl-d-neuraminic Acid Lyase from Pasteurella multocida.
Biochemistry, 52, 2013
5XFF
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BU of 5xff by Molmil
Crystal structure of LY2874455 in complex of FGFR4 gatekeeper mutation (V550L)
分子名称: 2-[4-[E-2-[5-[(1R)-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol, Fibroblast growth factor receptor 4
著者Wu, D, Chen, Y.
登録日2017-04-10
公開日2018-09-05
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献LY2874455 potently inhibits FGFR gatekeeper mutants and overcomes mutation-based resistance.
Chem. Commun. (Camb.), 54, 2018
4IKS
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BU of 4iks by Molmil
Crystal structure of truncated (delta 1-89) human methionine aminopeptidase Type 1 in complex with N1-(5-chloro-6-methyl-2-(pyridin-2-yl)pyrimidin-4-yl)-N2-(6-(trifluoromethyl)pyridin-2-yl)ethane-1,2-diamine
分子名称: COBALT (II) ION, GLYCEROL, Methionine aminopeptidase 1, ...
著者Addlagatta, A, Kishor, C, Arya, T.
登録日2012-12-28
公開日2013-12-11
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Identification, Biochemical and Structural Evaluation of Species-Specific Inhibitors against Type I Methionine Aminopeptidases
J.Med.Chem., 56, 2013
4IMF
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Crystal Structure of Pasteurella multocida N-Acetyl-D-Neuraminic acid lyase K164 mutant complexed with N-Acetylneuraminic acid
分子名称: 1-ETHOXY-2-(2-METHOXYETHOXY)ETHANE, 5-(acetylamino)-3,5-dideoxy-D-glycero-D-galacto-non-2-ulosonic acid, CHLORIDE ION, ...
著者Fisher, A.J, Huynh, N.
登録日2013-01-02
公開日2013-11-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Basis for Substrate Specificity and Mechanism of N-Acetyl-d-neuraminic Acid Lyase from Pasteurella multocida.
Biochemistry, 52, 2013
5EWI
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BU of 5ewi by Molmil
Crystal Structure of the Human Fab VRC38.01, an HIV-1 V1V2-Directed Neutralizing Antibody Isolated from Donor N90
分子名称: VRC38.01 Heavy Chain, VRC38.01 Light Chain
著者Gorman, J, Kwong, P.D.
登録日2015-11-20
公開日2016-11-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5996 Å)
主引用文献Virus-like Particles Identify an HIV V1V2 Apex-Binding Neutralizing Antibody that Lacks a Protruding Loop.
Immunity, 46, 2017
8INZ
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BU of 8inz by Molmil
Cryo-EM structure of human HCN3 channel in apo state
分子名称: 4-[[(2~{S},4~{a}~{R},6~{S},8~{a}~{S})-6-[(4~{S},5~{R})-4-[(2~{S})-butan-2-yl]-5,9-dimethyl-decyl]-4~{a}-methyl-2,3,4,5,6,7,8,8~{a}-octahydro-1~{H}-naphthalen-2-yl]oxy]-4-oxidanylidene-butanoic acid, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 3
著者Yu, B, Lu, Q.Y, Li, J, Zhang, J.
登録日2023-03-10
公開日2024-04-10
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (2.72 Å)
主引用文献Cryo-EM structure of human HCN3 channel and its regulation by cAMP.
J.Biol.Chem., 300, 2024
5GZA
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BU of 5gza by Molmil
protein O-mannose kinase
分子名称: 2-acetamido-2-deoxy-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-alpha-D-mannopyranose, 4-METHYL-2H-CHROMEN-2-ONE, ADENOSINE-5'-DIPHOSPHATE, ...
著者Xiao, J.
登録日2016-09-27
公開日2016-12-07
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of protein O-mannose kinase reveals a unique active site architecture
Elife, 5, 2016
1HFD
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HUMAN COMPLEMENT FACTOR D IN A P21 CRYSTAL FORM
分子名称: COMPLEMENT FACTOR D
著者Jing, H, Babu, Y.S, Moore, D, Kilpatrick, J.M, Liu, X.-Y, Volanakis, J.E, Narayana, S.V.L.
登録日1998-06-18
公開日1999-06-22
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structures of native and complexed complement factor D: implications of the atypical His57 conformation and self-inhibitory loop in the regulation of specific serine protease activity.
J.Mol.Biol., 282, 1998
1GTN
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BU of 1gtn by Molmil
Structure of the trp RNA-binding attenuation protein (TRAP) bound to an RNA molecule containing 11 GAGCC repeats
分子名称: (GAGCC)11G 56-NUCLEOTIDE RNA, TRP RNA-BINDING ATTENUATION PROTEIN, TRYPTOPHAN
著者Hopcroft, N.H, Wendt, A.L, Gollnick, P, Antson, A.A.
登録日2002-01-16
公開日2002-04-05
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Specificity of Trap-RNA Interactions: Crystal Structures of Two Complexes with Different RNA Sequences
Acta Crystallogr.,Sect.D, 58, 2002
5VQF
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BU of 5vqf by Molmil
Crystal Structure of pro-TGF-beta 1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Transforming growth factor beta-1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Zhao, B, Xu, S, Dong, X, Lu, C, Springer, T.A.
登録日2017-05-08
公開日2017-11-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Prodomain-growth factor swapping in the structure of pro-TGF-beta 1.
J. Biol. Chem., 293, 2018
5HU1
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BACE1 in complex with (R)-N-(3-(3-amino-2,5-dimethyl-1,1-dioxido-5,6-dihydro-2H-1,2,4-thiadiazin-5-yl)-4-fluorophenyl)-5-fluoropicolinamide
分子名称: Beta-secretase 1, N-{3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxido-5,6-dihydro-2H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide
著者Orth, P.
登録日2016-01-27
公開日2016-11-09
最終更新日2017-01-04
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery of the 3-Imino-1,2,4-thiadiazinane 1,1-Dioxide Derivative Verubecestat (MK-8931)-A beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 Inhibitor for the Treatment of Alzheimer's Disease.
J. Med. Chem., 59, 2016
5HU0
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BACE1 in complex with 4-(3-(furan-2-carboxamido)phenyl)-1-methyl-5-oxo-4-phenylimidazolidin-2-iminium
分子名称: Beta-secretase 1, L(+)-TARTARIC ACID, N-{3-[(2E,4R)-2-imino-1-methyl-5-oxo-4-phenylimidazolidin-4-yl]phenyl}furan-2-carboxamide
著者Orth, P.
登録日2016-01-27
公開日2016-11-09
最終更新日2017-01-04
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Discovery of the 3-Imino-1,2,4-thiadiazinane 1,1-Dioxide Derivative Verubecestat (MK-8931)-A beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 Inhibitor for the Treatment of Alzheimer's Disease.
J. Med. Chem., 59, 2016
5HTZ
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BACE1 in complex with (S)-5-(3-chloro-5-(5-(prop-1-yn-1-yl)pyridin-3-yl)thiophen-2-yl)-2,5-dimethyl-1,2,4-thiadiazinan-3-iminium 1,1-dioxide
分子名称: (3E,5S)-5-{3-chloro-5-[5-(prop-1-yn-1-yl)pyridin-3-yl]thiophen-2-yl}-2,5-dimethyl-1,2,4-thiadiazinan-3-imine 1,1-dioxide, Beta-secretase 1
著者Orth, P.
登録日2016-01-27
公開日2016-11-09
最終更新日2017-01-04
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery of the 3-Imino-1,2,4-thiadiazinane 1,1-Dioxide Derivative Verubecestat (MK-8931)-A beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 Inhibitor for the Treatment of Alzheimer's Disease.
J. Med. Chem., 59, 2016
5IQ7
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Crystal structure of 10E8-S74W Fab in complex with an HIV-1 gp41 peptide.
分子名称: 10E8-S74W Heavy Chain, 10E8-S74W Light Chain, gp41 MPER peptide
著者Ofek, G, Kwon, Y.D, Caruso, W, Kwong, P.D.
登録日2016-03-10
公開日2016-04-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.2869 Å)
主引用文献Optimization of the Solubility of HIV-1-Neutralizing Antibody 10E8 through Somatic Variation and Structure-Based Design.
J.Virol., 90, 2016
5IJ2
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SrpA adhesin in complex with sialyllactosamine
分子名称: ACETATE ION, CALCIUM ION, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Iverson, T.M.
登録日2016-03-01
公開日2017-02-08
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.683 Å)
主引用文献Structures of the Streptococcus sanguinis SrpA Binding Region with Human Sialoglycans Suggest Features of the Physiological Ligand.
Biochemistry, 2016
5IJ1
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SrpA adhesin in complex with sialyllactose
分子名称: ACETATE ION, CALCIUM ION, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, ...
著者Iverson, T.M.
登録日2016-03-01
公開日2017-02-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structures of the Streptococcus sanguinis SrpA Binding Region with Human Sialoglycans Suggest Features of the Physiological Ligand.
Biochemistry, 2016

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