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4TLN
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BU of 4tln by Molmil
BINDING OF HYDROXAMIC ACID INHIBITORS TO CRYSTALLINE THERMOLYSIN SUGGESTS A PENTACOORDINATE ZINC INTERMEDIATE IN CATALYSIS
分子名称: CALCIUM ION, L-LEUCYL-HYDROXYLAMINE, THERMOLYSIN, ...
著者Matthews, B.W, Holmes, M.A.
登録日1982-02-08
公開日1982-05-26
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Binding of hydroxamic acid inhibitors to crystalline thermolysin suggests a pentacoordinate zinc intermediate in catalysis.
Biochemistry, 20, 1981
5B57
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BU of 5b57 by Molmil
Inward-facing conformation of ABC heme importer BhuUV from Burkholderia cenocepacia
分子名称: DECYL-BETA-D-MALTOPYRANOSIDE, Hemin import ATP-binding protein HmuV, Putative hemin ABC transport system, ...
著者Naoe, Y, Nakamura, N, Doi, A, Shiro, Y, Sugimoto, H.
登録日2016-04-25
公開日2016-11-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of bacterial haem importer complex in the inward-facing conformation
Nat Commun, 7, 2016
5GXQ
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BU of 5gxq by Molmil
The crystal structure of the nucleosome containing H3.6
分子名称: DNA (146-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ...
著者Taguchi, H, Xie, Y, Horikoshi, N, Kurumizaka, H.
登録日2016-09-19
公開日2017-04-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Crystal Structure and Characterization of Novel Human Histone H3 Variants, H3.6, H3.7, and H3.8
Biochemistry, 56, 2017
4TMN
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BU of 4tmn by Molmil
SLOW-AND FAST-BINDING INHIBITORS OF THERMOLYSIN DISPLAY DIFFERENT MODES OF BINDING. CRYSTALLOGRAPHIC ANALYSIS OF EXTENDED PHOSPHONAMIDATE TRANSITION-STATE ANALOGUES
分子名称: CALCIUM ION, N-[(S)-[(1R)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]-L-leucyl-L-alanine, THERMOLYSIN, ...
著者Holden, H.M, Tronrud, D.E, Monzingo, A.F, Weaver, L.H, Matthews, B.W.
登録日1987-06-29
公開日1989-01-09
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Slow- and fast-binding inhibitors of thermolysin display different modes of binding: crystallographic analysis of extended phosphonamidate transition-state analogues.
Biochemistry, 26, 1987
5B58
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BU of 5b58 by Molmil
Inward-facing conformation of ABC heme importer BhuUV in complex with periplasmic heme binding protein BhuT from Burkholderia cenocepacia
分子名称: Hemin import ATP-binding protein HmuV, Putative hemin ABC transport system, membrane protein, ...
著者Naoe, Y, Nakamura, N, Doi, A, Shiro, Y, Sugimoto, H.
登録日2016-04-25
公開日2016-11-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.21 Å)
主引用文献Crystal structure of bacterial haem importer complex in the inward-facing conformation
Nat Commun, 7, 2016
7XWA
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BU of 7xwa by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 Omicron BA.4/5 variant spike protein in complex with its receptor ACE2
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, Processed angiotensin-converting enzyme 2, ...
著者Suzuki, T, Kimura, K, Hashiguchi, T.
登録日2022-05-26
公開日2022-09-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.36 Å)
主引用文献Virological characteristics of the SARS-CoV-2 Omicron BA.2 subvariants, including BA.4 and BA.5.
Cell, 185, 2022
6WKZ
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BU of 6wkz by Molmil
Cocomplex structure of Deoxyhypusine synthase with inhibitor 6-[(1R)-2-AMINO-1-PHENYLETHYL]-3-(PYRIDIN-3-YL)-4H,5H,6H,7H-THIENO[2,3-C]PYRIDIN-7-ONE
分子名称: 6-[(1R)-2-amino-1-phenylethyl]-3-(pyridin-3-yl)-5,6-dihydrothieno[2,3-c]pyridin-7(4H)-one, Deoxyhypusine synthase
著者Klein, M.G, Ambrus-Aikelin, G.
登録日2020-04-17
公開日2020-08-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献New Series of Potent Allosteric Inhibitors of Deoxyhypusine Synthase.
Acs Med.Chem.Lett., 11, 2020
5B3N
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BU of 5b3n by Molmil
The crystal structure of anti-H4K20me1_scFv, 15F11
分子名称: anti-H4K20me1_scFv
著者Kujirai, T, Horikoshi, N, Kurumizaka, H.
登録日2016-03-04
公開日2016-09-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献A Genetically Encoded Probe for Live-Cell Imaging of H4K20 Monomethylation
J.Mol.Biol., 428, 2016
2NSQ
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BU of 2nsq by Molmil
Crystal structure of the C2 domain of the human E3 ubiquitin-protein ligase NEDD4-like protein
分子名称: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase NEDD4-like protein, GLYCEROL
著者Walker, J.R, Avvakumov, G.V, Xue, S, Butler-Cole, C, Finerty Jr, P.J, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2006-11-06
公開日2006-12-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The C2 domain of the human E3 ubiquitin-protein ligase NEDD4-like protein
To be Published
7Y44
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BU of 7y44 by Molmil
Re-refinement of damage free X-ray structure of bovine cytochrome c oxidase at 1.9 angstrom resolution
分子名称: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
著者Tsukihara, T, Hirata, K, Ago, H.
登録日2022-06-14
公開日2022-07-20
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Determination of damage-free crystal structure of an X-ray-sensitive protein using an XFEL.
Nat.Methods, 11, 2014
5ZR3
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BU of 5zr3 by Molmil
Crystal structure of Hsp90-alpha N-terminal domain in complex with 4-(3-isopropyl-4-(4-(1-methyl-1H-pyrazol-4-yl)-1H-imidazol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl)-3-methylbenzamide
分子名称: 3-methyl-4-{4-[4-(1-methyl-1H-pyrazol-4-yl)-1H-imidazol-1-yl]-3-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl}benzamide, Heat shock protein HSP 90-alpha
著者Uno, T, Chong, K.T, Suzuki, T.
登録日2018-04-23
公開日2019-01-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of 3-Ethyl-4-(3-isopropyl-4-(4-(1-methyl-1 H-pyrazol-4-yl)-1 H-imidazol-1-yl)-1 H-pyrazolo[3,4- b]pyridin-1-yl)benzamide (TAS-116) as a Potent, Selective, and Orally Available HSP90 Inhibitor.
J. Med. Chem., 62, 2019
3VHQ
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BU of 3vhq by Molmil
Crystal structure of the Ca6 site mutant of Pro-SA-subtilisin
分子名称: CALCIUM ION, Tk-subtilisin
著者Uehara, R, Takeuchi, Y, Tanaka, S, Matsumura, H, Koga, Y, Takano, K, Kanaya, S.
登録日2011-09-01
公開日2012-07-11
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Requirement of Ca(2+) Ions for the Hyperthermostability of Tk-Subtilisin from Thermococcus kodakarensis
Biochemistry, 51, 2012
6KU3
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BU of 6ku3 by Molmil
Crystal structure of gibberellin 2-oxidase3 (GA2ox3)in rice
分子名称: 2-OXOGLUTARIC ACID, GIBBERELLIN A4, GLYCEROL, ...
著者Takehara, S, Mikami, B, Sakuraba, S, Matsuoka, M, Ueguchi-Tanaka, M.
登録日2019-08-30
公開日2020-05-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献A common allosteric mechanism regulates homeostatic inactivation of auxin and gibberellin.
Nat Commun, 11, 2020
6KUN
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BU of 6kun by Molmil
Crystal structure of dioxygenase for auxin oxidation (DAO) in rice
分子名称: 1H-INDOL-3-YLACETIC ACID, 2-OXOGLUTARIC ACID, 2-oxoglutarate-dependent dioxygenase DAO, ...
著者Takehara, S, Mikami, B, Sakuraba, S, Matsuoka, M, Ueguchi-Tanaka, M.
登録日2019-09-02
公開日2020-05-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.002 Å)
主引用文献A common allosteric mechanism regulates homeostatic inactivation of auxin and gibberellin.
Nat Commun, 11, 2020
8DTK
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BU of 8dtk by Molmil
Structure of RBD directed antibody DH1047 in complex with SARS-CoV-2 spike: Local refinement of RBD-Fab interace
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, DH1047 Fab Heavy Chain, DH1047 Fab Light Chain, ...
著者May, A.J, Manne, K, Acharya, P.
登録日2022-07-25
公開日2023-08-02
最終更新日2024-02-28
実験手法ELECTRON MICROSCOPY (3.77 Å)
主引用文献Broadly neutralizing antibody induction by non-stabilized SARS-CoV-2 Spike mRNA vaccination in nonhuman primates.
Biorxiv, 2023
1C8I
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BU of 1c8i by Molmil
BINDING MODE OF HYDROXYLAMINE TO ARTHROMYCES RAMOSUS PEROXIDASE
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, HYDROXYAMINE, ...
著者Wariishi, H, Nonaka, D, Johjima, T, Nakamura, N, Naruta, Y, Kubo, K, Fukuyama, K.
登録日2000-05-08
公開日2001-01-17
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Direct binding of hydroxylamine to the heme iron of Arthromyces ramosus peroxidase. Substrate analogue that inhibits compound I formation in a competetive manner.
J.Biol.Chem., 275, 2000
5BRO
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BU of 5bro by Molmil
Crystal structure of modified HexB (modB)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-hexosaminidase subunit beta, FORMIC ACID, ...
著者Kitakaze, K, Maita, N, Itoh, K.
登録日2015-06-01
公開日2016-05-04
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Protease-resistant modified human beta-hexosaminidase B ameliorates symptoms in GM2 gangliosidosis model.
J.Clin.Invest., 126, 2016
8DTO
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BU of 8dto by Molmil
Vaccine elicited Antibody MU89 bound to CH848.D949.10.17_N133D_N138T.DS.SOSIP.664 HIV-1 Env trimer
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)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Stalls, V, Acharya, P.
登録日2022-07-26
公開日2023-04-19
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.57 Å)
主引用文献Mutation-guided vaccine design: A process for developing boosting immunogens for HIV broadly neutralizing antibody induction.
Cell Host Microbe, 32, 2024
8DY6
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BU of 8dy6 by Molmil
Vaccine elicited Antibody MU89+S27Y bound to CH848.D949.10.17_N133D_N138T.DS.SOSIP.664 HIV-1 Env trimer
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)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Stalls, V, Acharya, P.
登録日2022-08-03
公開日2023-04-19
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (4.32 Å)
主引用文献Mutation-guided vaccine design: A process for developing boosting immunogens for HIV broadly neutralizing antibody induction.
Cell Host Microbe, 32, 2024
5DNW
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BU of 5dnw by Molmil
Crystal structure of KAI2-like protein from Striga (apo state 1)
分子名称: 1,2-ETHANEDIOL, FORMIC ACID, SODIUM ION, ...
著者Xu, Y, Miyakawa, T, Nakamura, A, Tanokura, M.
登録日2015-09-10
公開日2016-08-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Structural basis of unique ligand specificity of KAI2-like protein from parasitic weed Striga hermonthica
Sci Rep, 6, 2016
5DNU
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BU of 5dnu by Molmil
Crystal structure of Striga KAI2-like protein in complex with karrikin
分子名称: 1,2-ETHANEDIOL, 3-methyl-2H-furo[2,3-c]pyran-2-one, BENZOIC ACID, ...
著者Xu, Y, Miyakawa, T, Nakamura, A, Tanokura, M.
登録日2015-09-10
公開日2016-08-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structural basis of unique ligand specificity of KAI2-like protein from parasitic weed Striga hermonthica
Sci Rep, 6, 2016
3ORN
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BU of 3orn by Molmil
Mitogen-activated protein kinase kinase 1 (MEK1) in complex with CH4987655 and MgAMP-PNP
分子名称: 3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-5-[(3-oxo-1,2-oxazinan-2-yl)methyl]benzamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ...
著者Lukacs, C.M, Janson, C, Schuck, V, Belunis, C.
登録日2010-09-07
公開日2011-03-02
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Design and synthesis of novel allosteric MEK inhibitor CH4987655 as an orally available anticancer agent.
Bioorg.Med.Chem.Lett., 21, 2011
3OS3
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BU of 3os3 by Molmil
Mitogen-activated protein kinase kinase 1 (MEK1) in complex with CH4858061 and MgATP
分子名称: 2-[(4-ethynyl-2-fluorophenyl)amino]-3,4-difluoro-N-(2-hydroxyethoxy)-5-{[(2-hydroxyethoxy)imino]methyl}benzamide, ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, ...
著者Lukacs, C.M, Janson, C, Schuck, V, Belunis, C.
登録日2010-09-08
公開日2011-07-27
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Design and synthesis of novel allosteric MEK inhibitor CH4987655 as an orally available anticancer agent.
Bioorg.Med.Chem.Lett., 21, 2011
5DNV
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BU of 5dnv by Molmil
Crystal structure of KAI2-like protein from Striga (apo state 2)
分子名称: BENZOIC ACID, FORMIC ACID, ShKAI2iB
著者Xu, Y, Miyakawa, T, Nakamura, A, Tanokura, M.
登録日2015-09-10
公開日2016-08-17
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structural basis of unique ligand specificity of KAI2-like protein from parasitic weed Striga hermonthica
Sci Rep, 6, 2016
1JFC
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BU of 1jfc by Molmil
X-ray structure of nitric oxide reductase (cytochrome P450nor) in the ferrous CO state at atomic resolution
分子名称: CARBON MONOXIDE, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Shimizu, H, Adachi, S, Park, S.Y, Shiro, Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2001-06-20
公開日2001-12-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献X-ray structure of nitric oxide reductase (cytochrome P450nor) at atomic resolution.
Acta Crystallogr.,Sect.D, 58, 2002

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