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3S1J
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BU of 3s1j by Molmil
Crystal structure of acetate-bound hell's gate globin I
分子名称: ACETATE ION, Hemoglobin-like flavoprotein, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Teh, A.H, Saito, J.A, Baharuddin, A, Tuckerman, J.R, Newhouse, J.S, Kanbe, M, Newhouse, E.I, Rahim, R.A, Favier, F, Didierjean, C, Sousa, E.H.S, Stott, M.B, Dunfield, P.F, Gonzalez, G, Gilles-Gonzalez, M.A, Najimudin, N, Alam, M.
登録日2011-05-15
公開日2011-09-21
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Hell's Gate globin I: an acid and thermostable bacterial hemoglobin resembling mammalian neuroglobin
Febs Lett., 585, 2011
3RXC
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BU of 3rxc by Molmil
Crystal structure of Trypsin complexed with 2-aminopyridine
分子名称: 2-AMINOPYRIDINE, CALCIUM ION, Cationic trypsin, ...
著者Yamane, J, Yao, M, Zhou, Y, Tanaka, I.
登録日2011-05-10
公開日2011-08-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
3RXQ
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BU of 3rxq by Molmil
Crystal structure of Trypsin complexed with benzamide (F01 and F05, cocktail experiment)
分子名称: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
著者Yamane, J, Yao, M, Zhou, Y, Tanaka, I.
登録日2011-05-10
公開日2011-08-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
3RUK
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BU of 3ruk by Molmil
Human Cytochrome P450 CYP17A1 in complex with Abiraterone
分子名称: Abiraterone, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase
著者DeVore, N.M, Scott, E.E.
登録日2011-05-05
公開日2012-01-25
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structures of cytochrome P450 17A1 with prostate cancer drugs abiraterone and TOK-001.
Nature, 482, 2012
3RXJ
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BU of 3rxj by Molmil
Crystal structure of Trypsin complexed with 4-guanidinobenzoic acid
分子名称: 4-carbamimidamidobenzoic acid, CALCIUM ION, Cationic trypsin, ...
著者Yamane, J, Yao, M, Zhou, Y, Tanaka, I.
登録日2011-05-10
公開日2011-08-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
3S8S
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BU of 3s8s by Molmil
Crystal structure of the RRM domain of human SETD1A
分子名称: Histone-lysine N-methyltransferase SETD1A, UNKNOWN ATOM OR ION
著者Chao, X, Tempel, W, Bian, C, Cerovina, T, Walker, J.R, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2011-05-30
公開日2011-06-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal structure of the RRM domain of human SETD1A
to be published
3RXU
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BU of 3rxu by Molmil
Crystal structure of Trypsin complexed with benzamide (F05 and A06, cocktail experiment)
分子名称: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
著者Yamane, J, Yao, M, Zhou, Y, Tanaka, I.
登録日2011-05-10
公開日2011-08-24
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
3RVN
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BU of 3rvn by Molmil
Structure of the CheY-BeF3 Complex with substitutions at 59 and 89: N59D and E89Y
分子名称: BERYLLIUM TRIFLUORIDE ION, Chemotaxis protein CheY, GLYCEROL, ...
著者Starbird, C.A, Immormino, R.M, Silversmith, R.E, Bourret, R.B.
登録日2011-05-06
公開日2012-05-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Probing Mechanistic Similarities between Response Regulator Signaling Proteins and Haloacid Dehalogenase Phosphatases.
Biochemistry, 54, 2015
3SA5
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BU of 3sa5 by Molmil
Crystal structure of wild-type HIV-1 protease in complex with AF69
分子名称: ACETATE ION, N-{(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(3-phenylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}-3-hydroxybenzamide, PHOSPHATE ION, ...
著者Schiffer, C.A, Nalam, M.N.L.
登録日2011-06-02
公開日2012-06-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Protease Inhibitors that protrude out from substrate envelope are more susceptible to developing drug resistance
To be Published
7XMP
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BU of 7xmp by Molmil
High resolution structure of lectin-like Ox-LDL receptor 1 in space group P 32 2 1
分子名称: Oxidized low-density lipoprotein receptor 1
著者Tomar, A, Varughese, K.I, Arockiasamy, A.
登録日2022-04-26
公開日2023-05-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献High resolution structure of lectin like Ox-LDL receptor 1 in space group P 32 2 1
To Be Published
3RXO
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BU of 3rxo by Molmil
Crystal structure of Trypsin complexed with (3-pyrrol-1-ylphenyl)methanamine
分子名称: 1-[3-(1H-pyrrol-1-yl)phenyl]methanamine, CALCIUM ION, Cationic trypsin, ...
著者Yamane, J, Yao, M, Zhou, Y, Tanaka, I.
登録日2011-05-10
公開日2011-08-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
7XHM
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BU of 7xhm by Molmil
The 0.88 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with behenic acid
分子名称: Fatty acid-binding protein, heart, HEXAETHYLENE GLYCOL, ...
著者Sugiyama, S, Matsuoka, S, Tsuchikawa, H, Sonoyama, M, Inoue, Y, Hayashi, F, Murata, M.
登録日2022-04-08
公開日2023-04-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (0.88 Å)
主引用文献The 0.88 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with behenic acid
To Be Published
7XHU
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BU of 7xhu by Molmil
The 0.88 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with tricosanoic acid
分子名称: Fatty acid-binding protein, heart, HEXAETHYLENE GLYCOL, ...
著者Sugiyama, S, Matsuoka, S, Tsuchikawa, H, Sonoyama, M, Inoue, Y, Hayashi, F, Murata, M.
登録日2022-04-10
公開日2023-04-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (0.88 Å)
主引用文献The 0.88 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with tricosanoic acid
To Be Published
3S0N
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BU of 3s0n by Molmil
Crystal Structure of Human Chymase with Benzimidazolone Inhibitor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-{3-[(4-methyl-1-benzothiophen-3-yl)methyl]-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl}butanoic acid, Chymase, ...
著者Qian, K.C, Farrow, N.A, Padyana, A.K.
登録日2011-05-13
公開日2011-07-20
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Benzimidazolone as potent chymase inhibitor: Modulation of reactive metabolite formation in the hydrophobic (P(1)) region.
Bioorg.Med.Chem.Lett., 21, 2011
3RVS
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BU of 3rvs by Molmil
Structure of the CheYN59D/E89R Tungstate complex
分子名称: Chemotaxis protein CheY, GLYCEROL, MANGANESE (II) ION, ...
著者Immormino, R.M, Starbird, C.A, Silversmith, R.E, Bourret, R.B.
登録日2011-05-06
公開日2012-05-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Probing Mechanistic Similarities between Response Regulator Signaling Proteins and Haloacid Dehalogenase Phosphatases.
Biochemistry, 54, 2015
3RU4
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BU of 3ru4 by Molmil
Crystal structure of the Bowman-Birk serine protease inhibitor BTCI in complex with trypsin and chymotrypsin
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 1,2-ETHANEDIOL, Bowman-Birk type seed trypsin and chymotrypsin inhibitor, ...
著者Esteves, G.F, Santos, C.R, Ventura, M.M, Barbosa, J.A.R.G, Freitas, S.M.
登録日2011-05-04
公開日2012-08-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Crystal structure of the Bowman-Birk serine protease inhibitor BTCI in complex with trypsin and chymotrypsin
To be Published
3RW8
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BU of 3rw8 by Molmil
Crystal structure of lysozyme in 40% ethanol
分子名称: ACETATE ION, CHLORIDE ION, ETHANOL, ...
著者Sharma, P, Solanki, A.K, Ashish
登録日2011-05-08
公開日2011-05-25
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.855 Å)
主引用文献Crystal structure of lysozyme in 40% ethanol
to be published
3RXL
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BU of 3rxl by Molmil
Crystal structure of Trypsin complexed with (2,5-dimethyl-3-furyl)methanamine
分子名称: 1-(2,5-dimethylfuran-3-yl)methanamine, CALCIUM ION, Cationic trypsin, ...
著者Yamane, J, Yao, M, Zhou, Y, Tanaka, I.
登録日2011-05-10
公開日2011-08-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
3RXI
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BU of 3rxi by Molmil
Crystal structure of Trypsin complexed with 2-(1H-indol-3-yl)ethanamine
分子名称: 2-(1H-INDOL-3-YL)ETHANAMINE, CALCIUM ION, Cationic trypsin, ...
著者Yamane, J, Yao, M, Zhou, Y, Tanaka, I.
登録日2011-05-10
公開日2011-08-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
5OAT
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BU of 5oat by Molmil
PINK1 structure
分子名称: MAGNESIUM ION, Serine/threonine-protein kinase PINK1, mitochondrial-like Protein
著者Kumar, A, Tamjar, J, Woodroof, H.I, Raimi, O.G, Waddell, A.Y, Peggie, M, Muqit, M.M.K, van Aalten, D.M.F.
登録日2017-06-23
公開日2017-10-11
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Structure of PINK1 and mechanisms of Parkinson's disease associated mutations.
Elife, 6, 2017
3SPK
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BU of 3spk by Molmil
Tipranavir in Complex with a Human Immunodeficiency Virus Type 1 Protease Variant
分子名称: HIV-1 protease, N-(3-{(1R)-1-[(6R)-4-HYDROXY-2-OXO-6-PHENETHYL-6-PROPYL-5,6-DIHYDRO-2H-PYRAN-3-YL]PROPYL}PHENYL)-5-(TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE
著者Wang, Y, Liu, Z, Brunzelle, J.S, Kovari, I.A, Kovari, L.C.
登録日2011-07-01
公開日2011-10-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献The higher barrier of darunavir and tipranavir resistance for HIV-1 protease.
Biochem.Biophys.Res.Commun., 412, 2011
7XJG
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BU of 7xjg by Molmil
Cryo-EM structure of E.coli retron-Ec86 in complex with its effector at 2.5 angstrom
分子名称: DNA (105-MER), MAGNESIUM ION, RNA (14-MER), ...
著者Wang, Y.J, Guan, Z.Y, Zou, T.T.
登録日2022-04-17
公開日2022-09-14
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (2.51 Å)
主引用文献Cryo-EM structures of Escherichia coli Ec86 retron complexes reveal architecture and defence mechanism.
Nat Microbiol, 7, 2022
3STO
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BU of 3sto by Molmil
Serpin from the trematode Schistosoma Haematobium
分子名称: Serine protease inhibitor
著者Granzin, J, Weiergraeber, O.H, Lee, X, Blanton, R.E.
登録日2011-07-11
公開日2012-05-30
最終更新日2013-01-23
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Three-dimensional structure of a schistosome serpin revealing an unusual configuration of the helical subdomain.
Acta Crystallogr.,Sect.D, 68, 2012
7X38
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BU of 7x38 by Molmil
Cryo-EM structure of Coxsackievirus B1 empty particle in complex with nAb 8A10 (CVB1-E:8A10)
分子名称: 8A10 heavy chain, 8A10 light chain, VP2, ...
著者Zheng, Q, Zhu, R, Sun, H, Cheng, T, Li, S, Xia, N.
登録日2022-02-28
公開日2022-09-28
実験手法ELECTRON MICROSCOPY (3.52 Å)
主引用文献Structural basis for the synergistic neutralization of coxsackievirus B1 by a triple-antibody cocktail.
Cell Host Microbe, 30, 2022
7X3F
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BU of 7x3f by Molmil
Cryo-EM structure of Coxsackievirus B1 A-particle in complex with nAb 9A3 (CVB1-A:9A3)
分子名称: 9A3 heavy chain, 9A3 light chain, VP2, ...
著者Zheng, Q, Zhu, R, Sun, H, Cheng, T, Li, S, Xia, N.
登録日2022-02-28
公開日2022-09-28
実験手法ELECTRON MICROSCOPY (3.52 Å)
主引用文献Structural basis for the synergistic neutralization of coxsackievirus B1 by a triple-antibody cocktail.
Cell Host Microbe, 30, 2022

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