5V7M
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![BU of 5v7m by Molmil](/molmil-images/mine/5v7m) | PCNA mutant L126A/I128A Protein Defective in Gene Silencing | Descriptor: | MAGNESIUM ION, Proliferating cell nuclear antigen | Authors: | Kondratick, C.M, Litman, J.M, Washington, M.T, Dieckman, L.M. | Deposit date: | 2017-03-20 | Release date: | 2018-03-14 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Crystal structures of PCNA mutant proteins defective in gene silencing suggest a novel interaction site on the front face of the PCNA ring. PLoS ONE, 13, 2018
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5V7I
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![BU of 5v7i by Molmil](/molmil-images/mine/5v7i) | Crystal structure of homo sapiens serine hydroxymethyltransferase 2 (mitochondrial) (SHMT2), in complex with glycine, PLP and folate-competitive pyrazolopyran inhibitor: 6-amino-4-isopropyl-3-methyl-4-(3-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile | Descriptor: | (4R)-6-amino-3-methyl-4-(propan-2-yl)-4-[3-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Ducker, G.S, Ghergurovich, J.M, Mainolfi, N, Suri, V, Jeong, S, Friedman, A, Manfredi, M, Kim, H, Rabinowitz, J.D. | Deposit date: | 2017-03-20 | Release date: | 2017-10-11 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Human SHMT inhibitors reveal defective glycine import as a targetable metabolic vulnerability of diffuse large B-cell lymphoma. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5V9U
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![BU of 5v9u by Molmil](/molmil-images/mine/5v9u) | Crystal Structure of small molecule ARS-1620 covalently bound to K-Ras G12C | Descriptor: | (S)-1-{4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl] piperazin-1-yl}propan-1-one, CALCIUM ION, GLYCEROL, ... | Authors: | Janes, M.R, Zhang, J, Li, L.-S, Hansen, R, Peters, U, Guo, X, Chen, Y, Babbar, A, Firdaus, S.J, Feng, J, Chen, J.H, Li, S, Brehmer, D, Darjania, L, Li, S, Long, Y.O, Thach, C, Liu, Y, Zarieh, A, Ely, T, Kucharski, J.M, Kessler, L.V, Wu, T, Wang, Y, Yao, Y, Deng, X, Zarrinkar, P, Dashyant, D, Lorenzi, M.V, Hu-Lowe, D, Patricelli, M.P, Ren, P, Liu, Y. | Deposit date: | 2017-03-23 | Release date: | 2018-02-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Targeting KRAS Mutant Cancers with a Covalent G12C-Specific Inhibitor. Cell, 172, 2018
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5RHN
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![BU of 5rhn by Molmil](/molmil-images/mine/5rhn) | HISTIDINE TRIAD NUCLEOTIDE-BINDING PROTEIN (HINT) FROM RABBIT COMPLEXED WITH 8-BR-AMP | Descriptor: | 8-BROMO-ADENOSINE-5'-MONOPHOSPHATE, HISTIDINE TRIAD NUCLEOTIDE-BINDING PROTEIN | Authors: | Brenner, C, Garrison, P, Gilmour, J, Peisach, D, Ringe, D, Petsko, G.A, Lowenstein, J.M. | Deposit date: | 1997-02-26 | Release date: | 1997-06-16 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Crystal structures of HINT demonstrate that histidine triad proteins are GalT-related nucleotide-binding proteins. Nat.Struct.Biol., 4, 1997
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5UNH
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![BU of 5unh by Molmil](/molmil-images/mine/5unh) | Synchrotron structure of human angiotensin II type 2 receptor in complex with compound 2 (N-[(furan-2-yl)methyl]-N-(4-oxo-2-propyl-3-{[2'-(2H-tetrazol-5-yl)[1,1'- biphenyl]-4-yl]methyl}-3,4-dihydroquinazolin-6-yl)benzamide) | Descriptor: | N-[(furan-2-yl)methyl]-N-(4-oxo-2-propyl-3-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydroquinazolin-6-yl)benzamide, Soluble cytochrome b562,Type-2 angiotensin II receptor | Authors: | Zhang, H, Han, G.W, Batyuk, A, Ishchenko, A, White, K.L, Patel, N, Sadybekov, A, Zamlynny, B, Rudd, M.T, Hollenstein, K, Tolstikova, A, White, T.A, Hunter, M.S, Weierstall, U, Liu, W, Babaoglu, K, Moore, E.L, Katz, R.D, Shipman, J.M, Garcia-Calvo, M, Sharma, S, Sheth, P, Soisson, S.M, Stevens, R.C, Katritch, V, Cherezov, V. | Deposit date: | 2017-01-30 | Release date: | 2017-04-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis for selectivity and diversity in angiotensin II receptors. Nature, 544, 2017
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5T03
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![BU of 5t03 by Molmil](/molmil-images/mine/5t03) | Crystal structure of heparan sulfate 6-O-sulfotransferase with bound PAP and glucuronic acid containing hexasaccharide substrate | Descriptor: | 1,2-ETHANEDIOL, 2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid, ADENOSINE-3'-5'-DIPHOSPHATE, ... | Authors: | Pedersen, L.C, Moon, A.F, Krahn, J.M, Liu, J. | Deposit date: | 2016-08-15 | Release date: | 2017-02-01 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure Based Substrate Specificity Analysis of Heparan Sulfate 6-O-Sulfotransferases. ACS Chem. Biol., 12, 2017
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5UUM
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![BU of 5uum by Molmil](/molmil-images/mine/5uum) | Human Mcl-1 in complex with a Bfl-1-specific selected peptide | Descriptor: | Bfl-1 specific peptide FS2, Induced myeloid leukemia cell differentiation protein Mcl-1, SULFATE ION, ... | Authors: | Jenson, J.M, Grant, R.A, Keating, A.E. | Deposit date: | 2017-02-17 | Release date: | 2017-06-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.346 Å) | Cite: | Epistatic mutations in PUMA BH3 drive an alternate binding mode to potently and selectively inhibit anti-apoptotic Bfl-1. Elife, 6, 2017
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5V33
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![BU of 5v33 by Molmil](/molmil-images/mine/5v33) | R. sphaeroides photosythetic reaction center mutant - Residue L223, Ser to Trp - Room Temperature Structure Solved on X-ray Transparent Microfluidic Chip | Descriptor: | BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, FE (III) ION, ... | Authors: | Schieferstein, J.M, Pawate, A.S, Sun, C, Wan, F, Broecker, J, Ernst, O.P, Gennis, R.B, Kenis, P.J.A. | Deposit date: | 2017-03-06 | Release date: | 2017-04-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.487 Å) | Cite: | X-ray transparent microfluidic chips for high-throughput screening and optimization of in meso membrane protein crystallization. Biomicrofluidics, 11, 2017
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5V7L
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![BU of 5v7l by Molmil](/molmil-images/mine/5v7l) | |
5ULV
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![BU of 5ulv by Molmil](/molmil-images/mine/5ulv) | Malate dehydrogenase from Methylobacterium extorquens | Descriptor: | CALCIUM ION, Malate dehydrogenase | Authors: | Gonzalez, J.M. | Deposit date: | 2017-01-25 | Release date: | 2017-02-08 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Conformational changes on substrate binding revealed by structures of Methylobacterium extorquens malate dehydrogenase. Acta Crystallogr F Struct Biol Commun, 74, 2018
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5V7K
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5UUP
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![BU of 5uup by Molmil](/molmil-images/mine/5uup) | |
5UNG
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![BU of 5ung by Molmil](/molmil-images/mine/5ung) | XFEL structure of human angiotensin II type 2 receptor (Orthorhombic form) in complex with compound 1 (N-benzyl-N-(2-ethyl-4-oxo-3-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl] methyl}-3,4-dihydroquinazolin-6-yl)thiophene-2-carboxamide) | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Chimera protein of Type-2 angiotensin II receptor and Soluble cytochrome b562, N-benzyl-N-(2-ethyl-4-oxo-3-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydroquinazolin-6-yl)thiophene-2-carboxamide, ... | Authors: | Zhang, H, Han, G.W, Batyuk, A, Ishchenko, A, White, K.L, Patel, N, Sadybekov, A, Zamlynny, B, Rudd, M.T, Hollenstein, K, Tolstikova, A, White, T.A, Hunter, M.S, Weierstall, U, Liu, W, Babaoglu, K, Moore, E.L, Katz, R.D, Shipman, J.M, Garcia-Calvo, M, Sharma, S, Sheth, P, Soisson, S.M, Stevens, R.C, Katritch, V, Cherezov, V. | Deposit date: | 2017-01-30 | Release date: | 2017-04-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis for selectivity and diversity in angiotensin II receptors. Nature, 544, 2017
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5UVI
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![BU of 5uvi by Molmil](/molmil-images/mine/5uvi) | Serial Millisecond Crystallography of Membrane and Soluble Protein Micro-crystals using Synchrotron Radiation | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, ... | Authors: | Martin-Garcia, J.M, Conrad, C.E, Nelson, G, Stander, N, Zatsepin, N.A, Zook, J, Zhu, L, Geiger, J, Chun, E, Kissick, D, Hilgart, M.C, Ogata, C, Ishchenko, A, Nagaratnam, N, Roy-Chowdhury, S, Coe, J, Subramanian, G, Schaffer, A, James, D, Ketawala, G, Venugopalan, N, Xu, S, Corcoran, S, Ferguson, D, Weierstall, U, Spence, J.C.H, Cherezov, V, Fromme, P, Fischetti, R.F, Liu, W. | Deposit date: | 2017-02-20 | Release date: | 2017-05-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Serial millisecond crystallography of membrane and soluble protein microcrystals using synchrotron radiation. IUCrJ, 4, 2017
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5V00
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![BU of 5v00 by Molmil](/molmil-images/mine/5v00) | Structure of HutD from Pseudomonas fluorescens SBW25 (Formate condition) | Descriptor: | FORMIC ACID, GLYCEROL, Uncharacterized protein | Authors: | Liu, Y, Johnston, J.M, Gerth, M.L, Baker, E.N, Lott, J.S, Rainey, P.B. | Deposit date: | 2017-02-27 | Release date: | 2017-03-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of a bicupin protein HutD involved in histidine utilization in Pseudomonas. Proteins, 85, 2017
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5UUL
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![BU of 5uul by Molmil](/molmil-images/mine/5uul) | Human Bfl-1 in complex with PUMA BH3 | Descriptor: | Bcl-2-binding component 3, Bcl-2-related protein A1, SULFATE ION | Authors: | Jenson, J.M, Grant, R.A, Keating, A.E. | Deposit date: | 2017-02-17 | Release date: | 2017-06-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Epistatic mutations in PUMA BH3 drive an alternate binding mode to potently and selectively inhibit anti-apoptotic Bfl-1. Elife, 6, 2017
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5UVJ
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![BU of 5uvj by Molmil](/molmil-images/mine/5uvj) | Serial Millisecond Crystallography of Membrane and Soluble Protein Micro-crystals using Synchrotron Radiation | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | Authors: | Martin-Garcia, J.M, Conrad, C.E, Nelson, G, Stander, N, Zatsepin, N.A, Zook, J, Zhu, L, Geiger, J, Chun, E, Kissick, D, Hilgart, M.C, Ogata, C, Ishchenko, A, Nagaratnam, N, Roy-Chowdhury, S, Coe, J, Subramanian, G, Schaffer, A, James, D, Ketawala, G, Venugopalan, N, Xu, S, Corcoran, S, Ferguson, D, Weierstall, U, Spence, J.C.H, Cherezov, V, Fromme, P, Fischetti, R.F, Liu, W. | Deposit date: | 2017-02-20 | Release date: | 2017-05-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Serial millisecond crystallography of membrane and soluble protein microcrystals using synchrotron radiation. IUCrJ, 4, 2017
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5V2C
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![BU of 5v2c by Molmil](/molmil-images/mine/5v2c) | RE-REFINEMENT OF CRYSTAL STRUCTURE OF PHOTOSYSTEM II COMPLEX | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Wang, J, Wiwczar, J.M, Brudvig, G.W. | Deposit date: | 2017-03-03 | Release date: | 2017-08-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Chlorophyll a with a farnesyl tail in thermophilic cyanobacteria. Photosyn. Res., 134, 2017
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5UNF
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![BU of 5unf by Molmil](/molmil-images/mine/5unf) | XFEL structure of human angiotensin II type 2 receptor (Monoclinic form) in complex with compound 1 (N-benzyl-N-(2-ethyl-4-oxo-3-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]) | Descriptor: | Chimera protein of Type-2 angiotensin II receptor and Soluble cytochrome b562, N-benzyl-N-(2-ethyl-4-oxo-3-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydroquinazolin-6-yl)thiophene-2-carboxamide | Authors: | Zhang, H, Han, G.W, Batyuk, A, Ishchenko, A, White, K.L, Patel, N, Sadybekov, A, Zamlynny, B, Rudd, M.T, Hollenstein, K, Tolstikova, A, White, T.A, Hunter, M.S, Weierstall, U, Liu, W, Babaoglu, K, Moore, E.L, Katz, R.D, Shipman, J.M, Garcia-Calvo, M, Sharma, S, Sheth, P, Soisson, S.M, Stevens, R.C, Katritch, V, Cherezov, V. | Deposit date: | 2017-01-30 | Release date: | 2017-04-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis for selectivity and diversity in angiotensin II receptors. Nature, 544, 2017
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5TUT
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![BU of 5tut by Molmil](/molmil-images/mine/5tut) | |
5TWR
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![BU of 5twr by Molmil](/molmil-images/mine/5twr) | Pre-catalytic ternary complex of human Polymerase Mu (H329A) mutant with incoming nonhydrolyzable UMPNPP | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine, ... | Authors: | Moon, A.F, Pryor, J.M, Ramsden, D.A, Kunkel, T.A, Bebenek, K, Pedersen, L.C. | Deposit date: | 2016-11-14 | Release date: | 2017-07-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural accommodation of ribonucleotide incorporation by the DNA repair enzyme polymerase Mu. Nucleic Acids Res., 45, 2017
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5UA6
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![BU of 5ua6 by Molmil](/molmil-images/mine/5ua6) | Ocellatin-LB1, solution structure in SDS micelle by NMR spectroscopy | Descriptor: | Ocellatin-LB1 | Authors: | Gusmao, K.A.G, dos Santos, D.M, Santos, V.M, Pilo-Veloso, D, de Lima, M.E, Resende, J.M. | Deposit date: | 2016-12-19 | Release date: | 2017-03-29 | Last modified: | 2018-04-18 | Method: | SOLUTION NMR | Cite: | NMR structures in different membrane environments of three ocellatin peptides isolated from Leptodactylus labyrinthicus. Peptides, 103, 2018
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5UVK
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![BU of 5uvk by Molmil](/molmil-images/mine/5uvk) | Serial Millisecond Crystallography of Membrane and Soluble Protein Micro-crystals using Synchrotron Radiation | Descriptor: | C-phycocyanin alpha chain, C-phycocyanin beta chain, PHYCOCYANOBILIN | Authors: | Martin-Garcia, J.M, Conrad, C.E, Nelson, G, Stander, N, Zatsepin, N.A, Zook, J, Zhu, L, Geiger, J, Chun, E, Kissick, D, Hilgart, M.C, Ogata, C, Ishchenko, A, Nagaratnam, N, Roy-Chowdhury, S, Coe, J, Subramanian, G, Schaffer, A, James, D, Ketawala, G, Venugopalan, N, Xu, S, Corcoran, S, Ferguson, D, Weierstall, U, Spence, J.C.H, Cherezov, V, Fromme, P, Fischetti, R.F, Liu, W. | Deposit date: | 2017-02-20 | Release date: | 2017-05-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Serial millisecond crystallography of membrane and soluble protein microcrystals using synchrotron radiation. Iucrj, 4, 2017
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5UVL
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![BU of 5uvl by Molmil](/molmil-images/mine/5uvl) | Serial Millisecond Crystallography of Membrane and Soluble Protein Micro-crystals using Synchrotron Radiation | Descriptor: | CALCIUM ION, NITRATE ION, Proteinase K | Authors: | Martin-Garcia, J.M, Conrad, C.E, Nelson, G, Stander, N, Zatsepin, N.A, Zook, J, Zhu, L, Geiger, J, Chun, E, Kissick, D, Hilgart, M.C, Ogata, C, Ishchenko, A, Nagaratnam, N, Roy-Chowdhury, S, Coe, J, Subramanian, G, Schaffer, A, James, D, Ketawala, G, Venugopalan, N, Xu, S, Corcoran, S, Ferguson, D, Weierstall, U, Spence, J.C.H, Cherezov, V, Fromme, P, Fischetti, R.F, Liu, W. | Deposit date: | 2017-02-20 | Release date: | 2017-05-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Serial millisecond crystallography of membrane and soluble protein microcrystals using synchrotron radiation. IUCrJ, 4, 2017
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3RDC
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![BU of 3rdc by Molmil](/molmil-images/mine/3rdc) | Human Cyclophilin D Complexed with an Inhibitor | Descriptor: | Peptidyl-prolyl cis-trans isomerase F, mitochondrial, ethyl N-[(4-aminobenzyl)carbamoyl]glycinate | Authors: | Colliandre, L, Ahmed-Belkacem, H, Bessin, Y, Pawlotsky, J.M, Guichou, J.F. | Deposit date: | 2011-04-01 | Release date: | 2012-03-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Combining 'dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography. Acta Crystallogr.,Sect.D, 71, 2015
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