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7SIU
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BU of 7siu by Molmil
Crystal structure of HPK1 (MAP4K1) complex with inhibitor A-745
分子名称: 6-[(5R)-5-benzamidocyclohex-1-en-1-yl]-3-[(1-methyl-1H-pyrazol-4-yl)amino]pyrazine-2-carboxamide, Mitogen-activated protein kinase kinase kinase kinase 1, SULFATE ION
著者Longenecker, K.L, Korepanova, A, Qiu, W.
登録日2021-10-14
公開日2022-03-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.786 Å)
主引用文献The HPK1 Inhibitor A-745 Verifies the Potential of Modulating T Cell Kinase Signaling for Immunotherapy.
Acs Chem.Biol., 17, 2022
2GJF
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BU of 2gjf by Molmil
NMR structure of the computationally designed procarboxypeptidase-A (1AYE) domain
分子名称: DESIGNED PROTEIN
著者Reichow, S.
登録日2006-03-30
公開日2007-01-16
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献High-resolution structural and thermodynamic analysis of extreme stabilization of human procarboxypeptidase by computational protein design.
J.Mol.Biol., 366, 2007
6PBS
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BU of 6pbs by Molmil
Structure of ClpC1-NTD in complex with Ecumicin
分子名称: ACETATE ION, ATP-dependent Clp protease ATP-binding subunit ClpC1, ecumicin
著者Abad-Zapatero, C, Wolf, N.M.
登録日2019-06-14
公開日2020-05-13
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of the N-terminal domain of ClpC1 in complex with the antituberculosis natural product ecumicin reveals unique binding interactions.
Acta Crystallogr D Struct Biol, 76, 2020
5XBK
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BU of 5xbk by Molmil
Crystal structure of human Importin4
分子名称: Importin-4, histone H3
著者Song, J.J, Yoon, J.
登録日2017-03-20
公開日2018-02-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.223 Å)
主引用文献Integrative Structural Investigation on the Architecture of Human Importin4_Histone H3/H4_Asf1a Complex and Its Histone H3 Tail Binding
J. Mol. Biol., 430, 2018
5XAH
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BU of 5xah by Molmil
Crystal structure of human Importin4
分子名称: Importin-4
著者Song, J.J, Yoon, J.
登録日2017-03-13
公開日2018-02-14
最終更新日2018-04-11
実験手法X-RAY DIFFRACTION (3.004 Å)
主引用文献Integrative Structural Investigation on the Architecture of Human Importin4_Histone H3/H4_Asf1a Complex and Its Histone H3 Tail Binding
J. Mol. Biol., 430, 2018
6CN8
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BU of 6cn8 by Molmil
High-resolution structure of ClpC1-NTD binding to Rufomycin-I
分子名称: ATP-dependent Clp protease ATP-binding subunit ClpC1, CHLORIDE ION, PHOSPHATE ION, ...
著者Abad-Zapatero, C, Wolf, N.W.
登録日2018-03-07
公開日2019-06-05
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献High-Resolution Structure of ClpC1-Rufomycin and Ligand Binding Studies Provide a Framework to Design and Optimize Anti-Tuberculosis Leads.
Acs Infect Dis., 5, 2019
5ZXB
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BU of 5zxb by Molmil
Crystal structure of ACK1 with compound 10d
分子名称: Activated CDC42 kinase 1, N-{3-[7-{[6-(4-acetylpiperazin-1-yl)pyridin-3-yl]amino}-1-methyl-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]-4-methylphenyl}-3-(trifluoromethyl)benzamide
著者Hong, E.M, Kim, H.L, Sim, T.B.
登録日2018-05-18
公開日2018-09-26
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.198 Å)
主引用文献First SAR Study for Overriding NRAS Mutant Driven Acute Myeloid Leukemia.
J. Med. Chem., 61, 2018
6PBA
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BU of 6pba by Molmil
Structure of ClpC1-NTD
分子名称: ATP-dependent Clp protease ATP-binding subunit ClpC1
著者Abad-Zapatero, C, Wolf, N.M.
登録日2019-06-13
公開日2020-05-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Structure of the N-terminal domain of ClpC1 in complex with the antituberculosis natural product ecumicin reveals unique binding interactions.
Acta Crystallogr D Struct Biol, 76, 2020
6PBQ
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Structure of ClpC1-NTD
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ATP-dependent Clp protease ATP-binding subunit ClpC1, PHOSPHATE ION
著者Abad-Zapatero, C, Wolf, N.M.
登録日2019-06-14
公開日2020-05-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of the N-terminal domain of ClpC1 in complex with the antituberculosis natural product ecumicin reveals unique binding interactions.
Acta Crystallogr D Struct Biol, 76, 2020
6CHV
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BU of 6chv by Molmil
Proteus vulgaris HigA antitoxin bound to DNA
分子名称: Antitoxin HigA, MAGNESIUM ION, pHigCryst3, ...
著者Schureck, M.A, Hoffer, E.D, Onuoha, N, Dunham, C.M.
登録日2018-02-23
公開日2019-02-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural basis of transcriptional regulation by the HigA antitoxin.
Mol.Microbiol., 111, 2019
6CWJ
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BU of 6cwj by Molmil
Crystal structures of cyanuric acid hydrolase from Moorella thermoacetica complexed with 1,3-Acetone Dicarboxylic Acid
分子名称: 1,3-PROPANDIOL, 3-oxopentanedioic acid, ACETATE ION, ...
著者Shi, K, Aihara, H.
登録日2018-03-30
公開日2019-06-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.253 Å)
主引用文献Crystal structures of Moorella thermoacetica cyanuric acid hydrolase reveal conformational flexibility and asymmetry important for catalysis.
Plos One, 14, 2019
6DHJ
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BU of 6dhj by Molmil
Crystal structures of cyanuric acid hydrolase from Moorella thermoacetica
分子名称: CITRIC ACID, Cyanuric acid amidohydrolase
著者Shi, K, Aihara, H.
登録日2018-05-20
公開日2019-06-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Crystal structures of Moorella thermoacetica cyanuric acid hydrolase reveal conformational flexibility and asymmetry important for catalysis.
Plos One, 14, 2019
6AGO
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BU of 6ago by Molmil
Crystal structure of MRG15-ASH1L Histone methyltransferase complex
分子名称: Histone-lysine N-methyltransferase ASH1L, Mortality factor 4 like 1, S-ADENOSYLMETHIONINE, ...
著者Lee, Y, Song, J.
登録日2018-08-13
公開日2019-03-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3.103 Å)
主引用文献Structural Basis of MRG15-Mediated Activation of the ASH1L Histone Methyltransferase by Releasing an Autoinhibitory Loop.
Structure, 27, 2019
6PGK
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BU of 6pgk by Molmil
Membrane Protein Megahertz Crystallography at the European XFEL, Photosystem I XFEL at 2.9 A
分子名称: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
著者Fromme, R, Gisriel, C, Fromme, P.
登録日2019-06-24
公開日2019-11-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Membrane protein megahertz crystallography at the European XFEL.
Nat Commun, 10, 2019
1COJ
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BU of 1coj by Molmil
FE-SOD FROM AQUIFEX PYROPHILUS, A HYPERTHERMOPHILIC BACTERIUM
分子名称: FE (III) ION, PROTEIN (SUPEROXIDE DISMUTASE)
著者Lim, J.H, Yu, Y.G, Kim, S.-H, Cho, S.-J, Ahn, B.Y, Han, Y.S, Cho, Y.
登録日1999-05-28
公開日1999-06-14
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The crystal structure of an Fe-superoxide dismutase from the hyperthermophile Aquifex pyrophilus at 1.9 A resolution: structural basis for thermostability.
J.Mol.Biol., 270, 1997
6CHZ
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BU of 6chz by Molmil
Estrogen Receptor Alpha Y537S bound to antagonist H3B-9224.
分子名称: 1,2-ETHANEDIOL, 4-[(2-{4-[(1E)-1-(1H-indazol-5-yl)-2-phenylbut-1-en-1-yl]phenoxy}ethyl)amino]-N,N-dimethylbutanamide, Estrogen receptor
著者Larsen, N.A.
登録日2018-02-23
公開日2018-03-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Discovery of Selective Estrogen Receptor Covalent Antagonists for the Treatment of ER alphaWTand ER alphaMUTBreast Cancer.
Cancer Discov, 8, 2018
6BUN
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BU of 6bun by Molmil
Crystal structures of cyanuric acid hydrolase from Moorella thermoacetica
分子名称: 1,3-PROPANDIOL, CALCIUM ION, CHLORIDE ION, ...
著者Shi, K, Aihara, H.
登録日2017-12-11
公開日2019-06-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Crystal structures of Moorella thermoacetica cyanuric acid hydrolase reveal conformational flexibility and asymmetry important for catalysis.
Plos One, 14, 2019
6BUP
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BU of 6bup by Molmil
Crystal structures of cyanuric acid hydrolase from Moorella thermoacetica complexed with cyanuric acid
分子名称: 1,3,5-triazine-2,4,6-triol, 1,3-PROPANDIOL, CALCIUM ION, ...
著者Shi, K, Aihara, H.
登録日2017-12-11
公開日2019-06-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Crystal structures of Moorella thermoacetica cyanuric acid hydrolase reveal conformational flexibility and asymmetry important for catalysis.
Plos One, 14, 2019
6BUR
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BU of 6bur by Molmil
Crystal structures of cyanuric acid hydrolase from Moorella thermoacetica complexed with barbituric acid
分子名称: BARBITURIC ACID, CALCIUM ION, Cyanuric acid amidohydrolase, ...
著者Shi, K, Aihara, H.
登録日2017-12-11
公開日2019-06-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Crystal structures of Moorella thermoacetica cyanuric acid hydrolase reveal conformational flexibility and asymmetry important for catalysis.
Plos One, 14, 2019
6BUO
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BU of 6buo by Molmil
Crystal structures of cyanuric acid hydrolase from Moorella thermoacetica
分子名称: 1,3-PROPANDIOL, CALCIUM ION, Cyanuric acid amidohydrolase, ...
著者Shi, K, Aihara, H.
登録日2017-12-11
公開日2019-06-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structures of Moorella thermoacetica cyanuric acid hydrolase reveal conformational flexibility and asymmetry important for catalysis.
Plos One, 14, 2019
6BUQ
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BU of 6buq by Molmil
Crystal structures of cyanuric acid hydrolase from Moorella thermoacetica complexed with barbituric acid
分子名称: 1,3-PROPANDIOL, BARBITURIC ACID, CALCIUM ION, ...
著者Shi, K, Aihara, H.
登録日2017-12-11
公開日2019-06-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Crystal structures of Moorella thermoacetica cyanuric acid hydrolase reveal conformational flexibility and asymmetry important for catalysis.
Plos One, 14, 2019
1I69
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BU of 1i69 by Molmil
CRYSTAL STRUCTURE OF THE REDUCED FORM OF OXYR
分子名称: BENZOIC ACID, HYDROGEN PEROXIDE-INDUCIBLE GENES ACTIVATOR
著者Choi, H, Kim, S, Ryu, S.
登録日2001-03-02
公開日2001-09-02
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis of the redox switch in the OxyR transcription factor.
Cell(Cambridge,Mass.), 105, 2001
1I6A
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BU of 1i6a by Molmil
CRYSTAL STRUCTURE OF THE OXIDIZED FORM OF OXYR
分子名称: HYDROGEN PEROXIDE-INDUCIBLE GENES ACTIVATOR
著者Choi, H, Kim, S, Ryu, S.
登録日2001-03-02
公開日2001-09-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis of the redox switch in the OxyR transcription factor.
Cell(Cambridge,Mass.), 105, 2001
5K5B
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BU of 5k5b by Molmil
Wild-type PAS-GAF fragment from Deinococcus radiodurans BphP
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, ACETATE ION, ...
著者Takala, H, Edlund, P, Claesson, E, Ihalainen, J.A, Westenhoff, S.
登録日2016-05-23
公開日2016-10-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献The room temperature crystal structure of a bacterial phytochrome determined by serial femtosecond crystallography.
Sci Rep, 6, 2016
5CZV
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Crystal structure of Notch3 NRR in complex with 20350 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Fab 20350 heavy chain, ...
著者Hu, T, Fryer, C, Chopra, R, Clark, K.
登録日2015-08-01
公開日2016-06-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献Characterization of activating mutations of NOTCH3 in T-cell acute lymphoblastic leukemia and anti-leukemic activity of NOTCH3 inhibitory antibodies.
Oncogene, 35, 2016

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