3S1J
 
 | | Crystal structure of acetate-bound hell's gate globin I | | Descriptor: | ACETATE ION, Hemoglobin-like flavoprotein, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | 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. | | Deposit date: | 2011-05-15 | | Release date: | 2011-09-21 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Hell's Gate globin I: an acid and thermostable bacterial hemoglobin resembling mammalian neuroglobin
Febs Lett., 585, 2011
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3RXC
 | | Crystal structure of Trypsin complexed with 2-aminopyridine | | Descriptor: | 2-AMINOPYRIDINE, CALCIUM ION, Cationic trypsin, ... | | Authors: | Yamane, J, Yao, M, Zhou, Y, Tanaka, I. | | Deposit date: | 2011-05-10 | | Release date: | 2011-08-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
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3RXQ
 | | Crystal structure of Trypsin complexed with benzamide (F01 and F05, cocktail experiment) | | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | | Authors: | Yamane, J, Yao, M, Zhou, Y, Tanaka, I. | | Deposit date: | 2011-05-10 | | Release date: | 2011-08-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
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3RUK
 | | Human Cytochrome P450 CYP17A1 in complex with Abiraterone | | Descriptor: | Abiraterone, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase | | Authors: | DeVore, N.M, Scott, E.E. | | Deposit date: | 2011-05-05 | | Release date: | 2012-01-25 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structures of cytochrome P450 17A1 with prostate cancer drugs abiraterone and TOK-001.
Nature, 482, 2012
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3RXJ
 | | Crystal structure of Trypsin complexed with 4-guanidinobenzoic acid | | Descriptor: | 4-carbamimidamidobenzoic acid, CALCIUM ION, Cationic trypsin, ... | | Authors: | Yamane, J, Yao, M, Zhou, Y, Tanaka, I. | | Deposit date: | 2011-05-10 | | Release date: | 2011-08-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
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3S8S
 | | Crystal structure of the RRM domain of human SETD1A | | Descriptor: | Histone-lysine N-methyltransferase SETD1A, UNKNOWN ATOM OR ION | | Authors: | 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) | | Deposit date: | 2011-05-30 | | Release date: | 2011-06-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Crystal structure of the RRM domain of human SETD1A
to be published
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3RXU
 | | Crystal structure of Trypsin complexed with benzamide (F05 and A06, cocktail experiment) | | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | | Authors: | Yamane, J, Yao, M, Zhou, Y, Tanaka, I. | | Deposit date: | 2011-05-10 | | Release date: | 2011-08-24 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
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3RVN
 | | Structure of the CheY-BeF3 Complex with substitutions at 59 and 89: N59D and E89Y | | Descriptor: | BERYLLIUM TRIFLUORIDE ION, Chemotaxis protein CheY, GLYCEROL, ... | | Authors: | Starbird, C.A, Immormino, R.M, Silversmith, R.E, Bourret, R.B. | | Deposit date: | 2011-05-06 | | Release date: | 2012-05-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Probing Mechanistic Similarities between Response Regulator Signaling Proteins and Haloacid Dehalogenase Phosphatases.
Biochemistry, 54, 2015
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3SA5
 | | Crystal structure of wild-type HIV-1 protease in complex with AF69 | | Descriptor: | ACETATE ION, N-{(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(3-phenylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}-3-hydroxybenzamide, PHOSPHATE ION, ... | | Authors: | Schiffer, C.A, Nalam, M.N.L. | | Deposit date: | 2011-06-02 | | Release date: | 2012-06-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Protease Inhibitors that protrude out from substrate envelope are more susceptible to developing drug resistance
To be Published
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7XMP
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3RXO
 | | Crystal structure of Trypsin complexed with (3-pyrrol-1-ylphenyl)methanamine | | Descriptor: | 1-[3-(1H-pyrrol-1-yl)phenyl]methanamine, CALCIUM ION, Cationic trypsin, ... | | Authors: | Yamane, J, Yao, M, Zhou, Y, Tanaka, I. | | Deposit date: | 2011-05-10 | | Release date: | 2011-08-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
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7XHM
 | | The 0.88 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with behenic acid | | Descriptor: | Fatty acid-binding protein, heart, HEXAETHYLENE GLYCOL, ... | | Authors: | Sugiyama, S, Matsuoka, S, Tsuchikawa, H, Sonoyama, M, Inoue, Y, Hayashi, F, Murata, M. | | Deposit date: | 2022-04-08 | | Release date: | 2023-04-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (0.88 Å) | | Cite: | The 0.88 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with behenic acid
To Be Published
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7XHU
 | | The 0.88 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with tricosanoic acid | | Descriptor: | Fatty acid-binding protein, heart, HEXAETHYLENE GLYCOL, ... | | Authors: | Sugiyama, S, Matsuoka, S, Tsuchikawa, H, Sonoyama, M, Inoue, Y, Hayashi, F, Murata, M. | | Deposit date: | 2022-04-10 | | Release date: | 2023-04-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (0.88 Å) | | Cite: | The 0.88 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with tricosanoic acid
To Be Published
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3S0N
 | | Crystal Structure of Human Chymase with Benzimidazolone Inhibitor | | Descriptor: | 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, ... | | Authors: | Qian, K.C, Farrow, N.A, Padyana, A.K. | | Deposit date: | 2011-05-13 | | Release date: | 2011-07-20 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Benzimidazolone as potent chymase inhibitor: Modulation of reactive metabolite formation in the hydrophobic (P(1)) region.
Bioorg.Med.Chem.Lett., 21, 2011
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3RVS
 | | Structure of the CheYN59D/E89R Tungstate complex | | Descriptor: | Chemotaxis protein CheY, GLYCEROL, MANGANESE (II) ION, ... | | Authors: | Immormino, R.M, Starbird, C.A, Silversmith, R.E, Bourret, R.B. | | Deposit date: | 2011-05-06 | | Release date: | 2012-05-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Probing Mechanistic Similarities between Response Regulator Signaling Proteins and Haloacid Dehalogenase Phosphatases.
Biochemistry, 54, 2015
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3RU4
 | | Crystal structure of the Bowman-Birk serine protease inhibitor BTCI in complex with trypsin and chymotrypsin | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 1,2-ETHANEDIOL, Bowman-Birk type seed trypsin and chymotrypsin inhibitor, ... | | Authors: | Esteves, G.F, Santos, C.R, Ventura, M.M, Barbosa, J.A.R.G, Freitas, S.M. | | Deposit date: | 2011-05-04 | | Release date: | 2012-08-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Crystal structure of the Bowman-Birk serine protease inhibitor BTCI in complex with trypsin and chymotrypsin
To be Published
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3RW8
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3RXL
 | | Crystal structure of Trypsin complexed with (2,5-dimethyl-3-furyl)methanamine | | Descriptor: | 1-(2,5-dimethylfuran-3-yl)methanamine, CALCIUM ION, Cationic trypsin, ... | | Authors: | Yamane, J, Yao, M, Zhou, Y, Tanaka, I. | | Deposit date: | 2011-05-10 | | Release date: | 2011-08-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
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3RXI
 | | Crystal structure of Trypsin complexed with 2-(1H-indol-3-yl)ethanamine | | Descriptor: | 2-(1H-INDOL-3-YL)ETHANAMINE, CALCIUM ION, Cationic trypsin, ... | | Authors: | Yamane, J, Yao, M, Zhou, Y, Tanaka, I. | | Deposit date: | 2011-05-10 | | Release date: | 2011-08-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
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5OAT
 | | PINK1 structure | | Descriptor: | MAGNESIUM ION, Serine/threonine-protein kinase PINK1, mitochondrial-like Protein | | Authors: | Kumar, A, Tamjar, J, Woodroof, H.I, Raimi, O.G, Waddell, A.Y, Peggie, M, Muqit, M.M.K, van Aalten, D.M.F. | | Deposit date: | 2017-06-23 | | Release date: | 2017-10-11 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | Structure of PINK1 and mechanisms of Parkinson's disease associated mutations.
Elife, 6, 2017
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3SPK
 | | Tipranavir in Complex with a Human Immunodeficiency Virus Type 1 Protease Variant | | Descriptor: | 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 | | Authors: | Wang, Y, Liu, Z, Brunzelle, J.S, Kovari, I.A, Kovari, L.C. | | Deposit date: | 2011-07-01 | | Release date: | 2011-10-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | The higher barrier of darunavir and tipranavir resistance for HIV-1 protease.
Biochem.Biophys.Res.Commun., 412, 2011
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7XJG
 | | Cryo-EM structure of E.coli retron-Ec86 in complex with its effector at 2.5 angstrom | | Descriptor: | DNA (105-MER), MAGNESIUM ION, RNA (14-MER), ... | | Authors: | Wang, Y.J, Guan, Z.Y, Zou, T.T. | | Deposit date: | 2022-04-17 | | Release date: | 2022-09-14 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (2.51 Å) | | Cite: | Cryo-EM structures of Escherichia coli Ec86 retron complexes reveal architecture and defence mechanism.
Nat Microbiol, 7, 2022
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3STO
 | | Serpin from the trematode Schistosoma Haematobium | | Descriptor: | Serine protease inhibitor | | Authors: | Granzin, J, Weiergraeber, O.H, Lee, X, Blanton, R.E. | | Deposit date: | 2011-07-11 | | Release date: | 2012-05-30 | | Last modified: | 2013-01-23 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Three-dimensional structure of a schistosome serpin revealing an unusual configuration of the helical subdomain.
Acta Crystallogr.,Sect.D, 68, 2012
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7X38
 | | Cryo-EM structure of Coxsackievirus B1 empty particle in complex with nAb 8A10 (CVB1-E:8A10) | | Descriptor: | 8A10 heavy chain, 8A10 light chain, VP2, ... | | Authors: | Zheng, Q, Zhu, R, Sun, H, Cheng, T, Li, S, Xia, N. | | Deposit date: | 2022-02-28 | | Release date: | 2022-09-28 | | Method: | ELECTRON MICROSCOPY (3.52 Å) | | Cite: | Structural basis for the synergistic neutralization of coxsackievirus B1 by a triple-antibody cocktail.
Cell Host Microbe, 30, 2022
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7X3F
 | | Cryo-EM structure of Coxsackievirus B1 A-particle in complex with nAb 9A3 (CVB1-A:9A3) | | Descriptor: | 9A3 heavy chain, 9A3 light chain, VP2, ... | | Authors: | Zheng, Q, Zhu, R, Sun, H, Cheng, T, Li, S, Xia, N. | | Deposit date: | 2022-02-28 | | Release date: | 2022-09-28 | | Method: | ELECTRON MICROSCOPY (3.52 Å) | | Cite: | Structural basis for the synergistic neutralization of coxsackievirus B1 by a triple-antibody cocktail.
Cell Host Microbe, 30, 2022
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