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7WXX
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BU of 7wxx by Molmil
Crystal structure of human MMP-7 in complex with inhibitor
分子名称: CALCIUM ION, Matrilysin, Peptide Inhibitor, ...
著者Kamitani, M, Oka, Y, Tabuse, H.
登録日2022-02-15
公開日2022-10-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery of Highly Potent and Selective Matrix Metalloproteinase-7 Inhibitors by Hybridizing the S1' Subsite Binder with Short Peptides.
J.Med.Chem., 65, 2022
1AHI
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BU of 1ahi by Molmil
7 ALPHA-HYDROXYSTEROID DEHYDROGENASE COMPLEXED WITH NADH AND 7-OXO GLYCOCHENODEOXYCHOLIC ACID
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 7 ALPHA-HYDROXYSTEROID DEHYDROGENASE, GLYCOCHENODEOXYCHOLIC ACID
著者Tanaka, N, Nonaka, T, Mitsui, Y.
登録日1995-08-25
公開日1996-10-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structures of the binary and ternary complexes of 7 alpha-hydroxysteroid dehydrogenase from Escherichia coli.
Biochemistry, 35, 1996
6O3G
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BU of 6o3g by Molmil
Crystal structure of the Fab fragment of the human HIV-1 neutralizing antibody PGZL1 in complex with its MPER peptide epitope (region 671-683 of HIV-1 gp41).
分子名称: GLYCEROL, MEPER peptide, region 671-683 of HIV-1 gp41, ...
著者Irimia, A, Wilson, I.A.
登録日2019-02-26
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.645 Å)
主引用文献An MPER antibody neutralizes HIV-1 using germline features shared among donors.
Nat Commun, 10, 2019
2CW9
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BU of 2cw9 by Molmil
Crystal structure of human Tim44 C-terminal domain
分子名称: PENTAETHYLENE GLYCOL, translocase of inner mitochondrial membrane
著者Handa, N, Kishishita, S, Morita, S, Kinoshita, Y, Nagano, Y, Uda, H, Terada, T, Uchikubo, T, Takemoto, C, Jin, Z, Chrzas, J, Chen, L, Liu, Z.-J, Wang, B.-C, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2005-06-17
公開日2005-12-17
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of the human Tim44 C-terminal domain in complex with pentaethylene glycol: ligand-bound form.
Acta Crystallogr.,Sect.D, 63, 2007
6EBW
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BU of 6ebw by Molmil
hALK in complex with compound 9 (6-(((1S)-1-(5-Fluoropyridin-2-yl)ethyl)amino)-1-(3-methyl-1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl)(morpholin-4-yl)methanone
分子名称: ALK tyrosine kinase receptor, [6-{[(1S)-1-(5-fluoropyridin-2-yl)ethyl]amino}-1-(5-methyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl](morpholin-4-yl)methanone
著者Lane, W, Saikatendu, K.
登録日2018-08-07
公開日2019-05-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.455 Å)
主引用文献Discovery of Potent, Selective, and Brain-Penetrant 1 H-Pyrazol-5-yl-1 H-pyrrolo[2,3- b]pyridines as Anaplastic Lymphoma Kinase (ALK) Inhibitors.
J.Med.Chem., 62, 2019
4IUO
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BU of 4iuo by Molmil
1.8 Angstrom Crystal Structure of the Salmonella enterica 3-Dehydroquinate Dehydratase (aroD) K170M Mutant in Complex with Quinate
分子名称: (1S,3R,4S,5R)-1,3,4,5-tetrahydroxycyclohexanecarboxylic acid, 3-dehydroquinate dehydratase
著者Light, S.H, Minasov, G, Duban, M.-E, Shuvalova, L, Kwon, K, Lavie, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2013-01-21
公開日2013-01-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structures of type I dehydroquinate dehydratase in complex with quinate and shikimate suggest a novel mechanism of schiff base formation.
Biochemistry, 53, 2014
3TH5
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BU of 3th5 by Molmil
Crystal structure of wild-type RAC1
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related C3 botulinum toxin substrate 1
著者Ha, B.H, Boggon, T.J.
登録日2011-08-18
公開日2012-07-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Exome sequencing identifies recurrent somatic RAC1 mutations in melanoma.
Nat.Genet., 44, 2012
2DX8
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BU of 2dx8 by Molmil
Crystal Structure Analysis of the PHD domain of the Transcription Coactivator Pygophus
分子名称: Pygopus homolog 1, ZINC ION
著者Padmanabhan, B, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2006-08-24
公開日2007-05-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal Structure Analysis of the PHD Domain of the Transcription Coactivator Pygopus
To be Published
2ROZ
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BU of 2roz by Molmil
Structure of the C-terminal PID Domain of Fe65L1 Complexed with the Cytoplasmic Tail of APP Reveals a Novel Peptide Binding Mode
分子名称: Amyloid beta A4 precursor protein-binding family B member 2, peptide from Amyloid beta A4 protein
著者Li, H, Koshiba, S, Tochio, N, Watanabe, S, Harada, T, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2008-04-25
公開日2008-07-22
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Structure of the C-terminal phosphotyrosine interaction domain of Fe65L1 complexed with the cytoplasmic tail of amyloid precursor protein reveals a novel peptide binding mode
J.Biol.Chem., 283, 2008
8IMD
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BU of 8imd by Molmil
Crystal structure of Cu/Zn Superoxide dismutase from Paenibacillus lautus
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, COPPER (II) ION, Cu/Zn-Superoxide dismutase, ...
著者Narikiyo, S, Furukawa, Y, Akutsu, M.
登録日2023-03-06
公開日2024-01-17
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Characterization of a novel cysteine-less Cu/Zn-superoxide dismutase in Paenibacillus lautus missing a conserved disulfide bond.
J.Biol.Chem., 299, 2023
6UOE
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BU of 6uoe by Molmil
3-25 Fab germline-reversion variant bound to an HCMV gB-derived peptide
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-25 Fab heavy chain, 3-25 Fab light chain, ...
著者Wrapp, D, McLellan, J.S.
登録日2019-10-14
公開日2020-07-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Recognition of a highly conserved glycoprotein B epitope by a bivalent antibody neutralizing HCMV at a post-attachment step.
Plos Pathog., 16, 2020
6UYD
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BU of 6uyd by Molmil
Structure of Hepatitis C Virus Envelope Glycoprotein E2mc3-v1 redesigned core from genotype 1a bound to broadly neutralizing antibody AR3C
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein E2, ...
著者Tzarum, N, Wilson, I.A, Zhu, J.
登録日2019-11-13
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.897 Å)
主引用文献Proof of concept for rational design of hepatitis C virus E2 core nanoparticle vaccines.
Sci Adv, 6, 2020
6UYM
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BU of 6uym by Molmil
Structure of Hepatitis C Virus Envelope Glycoprotein E2mc3-v6 redesigned core from genotype 1a bound to broadly neutralizing antibody AR3C
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein E2, ...
著者Tzarum, N, Wilson, I.A, Zhu, J.
登録日2019-11-13
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.848 Å)
主引用文献Proof of concept for rational design of hepatitis C virus E2 core nanoparticle vaccines.
Sci Adv, 6, 2020
6UYF
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BU of 6uyf by Molmil
Structure of Hepatitis C Virus Envelope Glycoprotein E2mc3-v1 redesigned core from genotype 6a bound to broadly neutralizing antibody AR3B
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein E2, ...
著者Tzarum, N, Wilson, I.A, Zhu, J.
登録日2019-11-13
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Proof of concept for rational design of hepatitis C virus E2 core nanoparticle vaccines.
Sci Adv, 6, 2020
6UYG
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BU of 6uyg by Molmil
Structure of Hepatitis C Virus Envelope Glycoprotein E2c3 core from genotype 6a bound to broadly neutralizing antibody AR3A and non neutralizing antibody E1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein E2, ...
著者Tzarum, N, Wilson, I.A, Zhu, J.
登録日2019-11-13
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.375 Å)
主引用文献Proof of concept for rational design of hepatitis C virus E2 core nanoparticle vaccines.
Sci Adv, 6, 2020
6VKN
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BU of 6vkn by Molmil
BG505 SOSIP.v5.2.N241.N289 in complex with rhesus macaque Fab RM19R
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-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, ...
著者Cottrell, C.A, Ward, A.B.
登録日2020-01-21
公開日2020-08-12
最終更新日2020-09-02
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Targeting HIV Env immunogens to B cell follicles in nonhuman primates through immune complex or protein nanoparticle formulations.
NPJ Vaccines, 5, 2020
5DND
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BU of 5dnd by Molmil
Crystal structure of the Asn-bound guinea pig L-asparaginase 1 catalytic domain active site mutant T116A
分子名称: 1,2-ETHANEDIOL, ASPARAGINE, L-asparaginase
著者Schalk, A.M, Lavie, A.
登録日2015-09-09
公開日2016-01-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Experimental Data in Support of a Direct Displacement Mechanism for Type I/II l-Asparaginases.
J.Biol.Chem., 291, 2016
6KAC
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BU of 6kac by Molmil
Cryo-EM structure of the C2S2-type PSII-LHCII supercomplex from Chlamydomonas reihardtii
分子名称: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
著者Sheng, X, Li, A.J, Song, D.F, Liu, Z.F.
登録日2019-06-21
公開日2019-10-23
最終更新日2019-12-25
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Structural insight into light harvesting for photosystem II in green algae.
Nat.Plants, 5, 2019
5DNE
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BU of 5dne by Molmil
Crystal structure of the Asn-bound guinea pig L-asparaginase 1 catalytic domain active site mutant K188M
分子名称: 1,2-ETHANEDIOL, ASPARAGINE, L-asparaginase
著者Schalk, A.M, Lavie, A.
登録日2015-09-10
公開日2016-01-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Experimental Data in Support of a Direct Displacement Mechanism for Type I/II l-Asparaginases.
J.Biol.Chem., 291, 2016
7E18
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BU of 7e18 by Molmil
Crystal structure of SAR-CoV-2 3CL protease complex with inhibitor YH-53
分子名称: 1,2-ETHANEDIOL, N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide, Replicase polyprotein 1ab
著者Senda, M, Konno, S, Hayashi, Y, Senda, T.
登録日2021-02-01
公開日2021-06-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献3CL Protease Inhibitors with an Electrophilic Arylketone Moiety as Anti-SARS-CoV-2 Agents.
J.Med.Chem., 65, 2022
7E19
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BU of 7e19 by Molmil
Crystal structure of SAR-CoV-2 3CL protease complex with inhibitor SH-5
分子名称: (phenylmethyl) N-[(2S)-1-[[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate, 3C-like proteinase
著者Senda, M, Konno, S, Hayashi, Y, Senda, T.
登録日2021-02-01
公開日2021-06-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献3CL Protease Inhibitors with an Electrophilic Arylketone Moiety as Anti-SARS-CoV-2 Agents.
J.Med.Chem., 65, 2022
6JUX
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BU of 6jux by Molmil
Crystal structure of human ALK2 kinase domain with R206H mutation in complex with RK-71807
分子名称: 4-(1-ethyl-3-pyridin-3-yl-pyrazol-4-yl)-~{N}-(4-piperazin-1-ylphenyl)pyrimidin-2-amine, Activin receptor type-1, SULFATE ION
著者Sakai, N, Mishima-Tsumagari, C, Matsumoto, T, Shirouzu, M.
登録日2019-04-15
公開日2020-04-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural Basis of Activin Receptor-Like Kinase 2 (R206H) Inhibition by Bis-heteroaryl Pyrazole-Based Inhibitors for the Treatment of Fibrodysplasia Ossificans Progressiva Identified by the Integration of Ligand-Based and Structure-Based Drug Design Approaches.
Acs Omega, 5, 2020
2KUP
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BU of 2kup by Molmil
Solution structure of the complex of the PTB domain of SNT-2 and 19-residue peptide (aa 1571-1589) of HALK
分子名称: 19-residue peptide from ALK tyrosine kinase receptor, Fibroblast growth factor receptor substrate 3
著者Li, H, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2010-02-24
公開日2010-05-26
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structural basis for the recognition of nucleophosmin-anaplastic lymphoma kinase oncoprotein by the phosphotyrosine binding domain of Suc1-associated neurotrophic factor-induced tyrosine-phosphorylated target-2
J.Struct.Funct.Genom., 11, 2010
5DNC
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BU of 5dnc by Molmil
Crystal structure of the Asn-bound guinea pig L-asparaginase 1 catalytic domain active site mutant T19A
分子名称: 1,2-ETHANEDIOL, ASPARAGINE, L-asparaginase
著者Schalk, A.M, Lavie, A.
登録日2015-09-09
公開日2016-01-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Experimental Data in Support of a Direct Displacement Mechanism for Type I/II l-Asparaginases.
J.Biol.Chem., 291, 2016
2YT2
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BU of 2yt2 by Molmil
Solution structure of the chimera of the PTB domain of SNT-2 and 19-residue peptide (aa 1571-1589) of hALK
分子名称: Fibroblast growth factor receptor substrate 3 and ALK tyrosine kinase receptor
著者Li, H, Koshiba, S, Tomizawa, T, Watanabe, S, Harada, T, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-04-05
公開日2008-04-08
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structural basis for the recognition of nucleophosmin-anaplastic lymphoma kinase oncoprotein by the phosphotyrosine binding domain of Suc1-associated neurotrophic factor-induced tyrosine-phosphorylated target-2
J.Struct.Funct.Genom., 11, 2010

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