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5UVL
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BU of 5uvl by Molmil
Serial Millisecond Crystallography of Membrane and Soluble Protein Micro-crystals using Synchrotron Radiation
分子名称: CALCIUM ION, NITRATE ION, Proteinase K
著者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.
登録日2017-02-20
公開日2017-05-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Serial millisecond crystallography of membrane and soluble protein microcrystals using synchrotron radiation.
IUCrJ, 4, 2017
6E2N
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BU of 6e2n by Molmil
ASK1 kinase domain complex with inhibitor
分子名称: Mitogen-activated protein kinase kinase kinase 5, N-[3-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)phenyl][3,4'-bipyridine]-2'-carboxamide
著者Lansdon, E.B.
登録日2018-07-11
公開日2018-09-19
最終更新日2018-10-17
実験手法X-RAY DIFFRACTION (2.098 Å)
主引用文献ASK1 contributes to fibrosis and dysfunction in models of kidney disease.
J. Clin. Invest., 128, 2018
5V3J
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BU of 5v3j by Molmil
mouseZFP568-ZnF1-10 in complex with DNA
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA (26-MER), MAGNESIUM ION, ...
著者Patel, A, Cheng, X.
登録日2017-03-07
公開日2018-03-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.064 Å)
主引用文献DNA Conformation Induces Adaptable Binding by Tandem Zinc Finger Proteins.
Cell, 173, 2018
4ZFX
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BU of 4zfx by Molmil
Siderocalin-mediated recognition and cellular uptake of actinides
分子名称: N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris(2,3-dihydroxybenzamide), Neutrophil gelatinase-associated lipocalin, SULFATE ION, ...
著者Allred, B.E, Rupert, P.B, Gauny, S.S, An, D.D, Ralston, C.Y, Sturzbecher-Hoehne, M, Strong, R.K, Abergel, R.J.
登録日2015-04-22
公開日2015-08-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Siderocalin-mediated recognition, sensitization, and cellular uptake of actinides.
Proc.Natl.Acad.Sci.USA, 112, 2015
6E2J
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BU of 6e2j by Molmil
Crystal structure of the heterocomplex between human keratin 1 coil 1B containing S233L mutation and wild-type human keratin 10 coil 1B
分子名称: Keratin, type I cytoskeletal 10, type II cytoskeletal 1, ...
著者Eldirany, S.A, Lomakin, I.B, Bunick, C.G.
登録日2018-07-11
公開日2019-05-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.386 Å)
主引用文献Human keratin 1/10-1B tetramer structures reveal a knob-pocket mechanism in intermediate filament assembly.
Embo J., 38, 2019
7SH5
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BU of 7sh5 by Molmil
Crystal structure of CYP142A3 from Mycobacterium ulcerans bound to Cholest-4-en-3-one
分子名称: (8ALPHA,9BETA)-CHOLEST-4-EN-3-ONE, ACETATE ION, Cytochrome P450 142A3, ...
著者Doherty, D.Z, Bell, S.G, Bruning, J.
登録日2021-10-08
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献The Structures of the Steroid Binding CYP142 Cytochrome P450 Enzymes from Mycobacterium ulcerans and Mycobacterium marinum.
Acs Infect Dis., 8, 2022
6E2O
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BU of 6e2o by Molmil
ASK1 kinase domain complex with inhibitor
分子名称: 4-(4-cyclopropyl-1H-imidazol-1-yl)-N-[3-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide, Mitogen-activated protein kinase kinase kinase 5
著者Lansdon, E.B.
登録日2018-07-11
公開日2018-09-19
最終更新日2018-10-17
実験手法X-RAY DIFFRACTION (2.389 Å)
主引用文献ASK1 contributes to fibrosis and dysfunction in models of kidney disease.
J. Clin. Invest., 128, 2018
4POL
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BU of 4pol by Molmil
Crystal structures of thioredoxin with mesna at 2.8A resolution
分子名称: 1-THIOETHANESULFONIC ACID, Thioredoxin
著者Sridhar, V, Chie-Leon, B, Badger, J, Nienaber, V.L, Hausheer, F.H.
登録日2014-02-26
公開日2014-10-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献BNP7787 Forms Novel Covalent Adducts on Human Thioredoxin and Modulates Thioredoxin Activity
J Pharmacol Clin Toxicol, 2, 2014
4POU
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BU of 4pou by Molmil
VHH-metal in Complex with RNase A
分子名称: Ribonuclease pancreatic, VHH Antibody
著者Fanning, S.W, Walter, R, Horn, J.R.
登録日2014-02-26
公開日2014-09-24
最終更新日2014-10-22
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural basis of an engineered dual-specific antibody: conformational diversity leads to a hypervariable loop metal-binding site.
Protein Eng.Des.Sel., 27, 2014
8UCT
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BU of 8uct by Molmil
Crystal structure of TcPINK1 in complex with PRT
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-{[3-(2H-1,2,3-triazol-2-yl)phenyl]amino}pyrimidine-5-carboxamide, SULFATE ION, ...
著者Veyron, S, Rasool, S, Trempe, J.F.
登録日2023-09-27
公開日2024-05-08
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献Characterization of a new family of PINK1 inhibitors
To Be Published
6EC0
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BU of 6ec0 by Molmil
Crystal structure of the wild-type heterocomplex between coil 1B domains of human intermediate filament proteins keratin 1 (KRT1) and keratin 10 (KRT10)
分子名称: CADMIUM ION, COBALT (II) ION, Keratin 1, ...
著者Eldirany, S.A, Lomakin, I.B, Bunick, C.G.
登録日2018-08-07
公開日2019-05-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.983 Å)
主引用文献Human keratin 1/10-1B tetramer structures reveal a knob-pocket mechanism in intermediate filament assembly.
Embo J., 38, 2019
6RAA
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BU of 6raa by Molmil
CLK1 Kinase domain with bound imidazopyridin inhibitor TP003
分子名称: 1,2-ETHANEDIOL, 4-[2-methyl-1-(4-methylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]-~{N}-(6-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)benzamide, Dual specificity protein kinase CLK1
著者Schroeder, M, Arrowsmith, C, Knapp, S, Bountra, C, Edwards, A, Structural Genomics Consortium (SGC)
登録日2019-04-05
公開日2019-04-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献CLK1 Kinase domain with bound imidazopyridin inhibitor TP003
To Be Published
4ZAR
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BU of 4zar by Molmil
Crystal Structure of Proteinase K from Engyodontium albuminhibited by METHOXYSUCCINYL-ALA-ALA-PRO-PHE-CHLOROMETHYL KETONE at 1.15 A resolution
分子名称: CALCIUM ION, METHOXYSUCCINYL-ALA-ALA-PRO-PHE-CHLOROMETHYL KETONE, bound form, ...
著者Sawaya, M.R, Cascio, D, Collazo, M, Bond, C, Cohen, A, DeNicola, A, Eden, K, Jain, K, Leung, C, Lubock, N, McCormick, J, Rosinski, J, Spiegelman, L, Athar, Y, Tibrewal, N, Winter, J, Solomon, S.
登録日2015-04-14
公開日2015-05-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Crystal Structure of Proteinase K from Engyodontium album inhibited by METHOXYSUCCINYL-ALA-ALA-PRO-PHE-CHLOROMETHYL KETONE at 1.15 A resolution
to be published
4ZIX
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BU of 4zix by Molmil
Structure of HEWL using Serial Femtosecond Crystallography of Soluble Proteins in Lipidic Cubic Phase
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION
著者Fromme, R, Ishchenko, A, Metz, M, Roy-Chowdhury, S, Basu, S, Boutet, S, Fromme, P, White, T.A, Barty, A, Spence, J.C.H, Weierstall, U, Liu, W, Cherezov, V.
登録日2015-04-28
公開日2015-08-12
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Serial Femtosecond Crystallography of Soluble Proteins in Lipidic Cubic Phase
IUCrJ, 2, 2015
5UND
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BU of 5und by Molmil
Crystal Structure of CTCF(ZnF 4-10) With 28-mer DNA
分子名称: 1,2-ETHANEDIOL, DNA (26-MER), GLYCEROL, ...
著者Horton, J.R, Cheng, X.
登録日2017-01-30
公開日2017-05-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.549 Å)
主引用文献Structural Basis for the Versatile and Methylation-Dependent Binding of CTCF to DNA.
Mol. Cell, 66, 2017
7S27
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BU of 7s27 by Molmil
Crystal structure of hen egg white lysozyme
分子名称: Lysozyme C, SODIUM ION
著者Lima, L.M.T.R, Ramos, N.G, Ribeiro, F.S.
登録日2021-09-03
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The reproducible normality of the crystallographic B-factor.
Anal.Biochem., 645, 2022
7S29
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BU of 7s29 by Molmil
Crystal structure of hen egg white lysozyme
分子名称: Lysozyme C, SODIUM ION
著者Lima, L.M.T.R, Ramos, N.G, Ribeiro, F.S.
登録日2021-09-03
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The reproducible normality of the crystallographic B-factor.
Anal.Biochem., 645, 2022
4PRQ
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BU of 4prq by Molmil
CRYSTAL STRUCTURE OF HEN EGG-WHITE LYSOZYME IN COMPLEX WITH SCLX4 AT 1.72 A RESOLUTION
分子名称: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 25,26,27,28-tetrahydroxypentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-5,11,17,23-tetrasulfonic acid, HEXAETHYLENE GLYCOL, ...
著者McGovern, R.E, McCarthy, A.A, Crowley, P.B.
登録日2014-03-06
公開日2014-09-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Protein assembly mediated by sulfonatocalix[4]arene.
Chem.Commun.(Camb.), 50, 2014
7S2C
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BU of 7s2c by Molmil
Crystal structure of hen egg white lysozyme
分子名称: Lysozyme C, SODIUM ION
著者Lima, L.M.T.R, Ramos, N.G, Ribeiro, F.S.
登録日2021-09-03
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The reproducible normality of the crystallographic B-factor.
Anal.Biochem., 645, 2022
7S30
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BU of 7s30 by Molmil
Crystal structure of hen egg white lysozyme
分子名称: Lysozyme C, SODIUM ION
著者Lima, L.M.T.R, Ramos, N.G.
登録日2021-09-04
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The reproducible normality of the crystallographic B-factor.
Anal.Biochem., 645, 2022
7S33
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BU of 7s33 by Molmil
Crystal structure of hen egg white lysozyme
分子名称: Lysozyme C, SODIUM ION
著者Lima, L.M.T.R, Ramos, N.G.
登録日2021-09-04
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The reproducible normality of the crystallographic B-factor.
Anal.Biochem., 645, 2022
8UO7
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BU of 8uo7 by Molmil
Bovine trypsin in complex with deacetylated wild type microviridin J
分子名称: CALCIUM ION, Cationic trypsin, Deacetylated wildtype microviridin J, ...
著者Chen, W, Bruner, S.D.
登録日2023-10-19
公開日2024-02-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Alternative Linkage Chemistries in the Chemoenzymatic Synthesis of Microviridin-Based Cyclic Peptides.
Org.Lett., 26, 2024
8UN4
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BU of 8un4 by Molmil
KRAS-G13D-GDP in complex with Cpd36 ((E)-1-((3S)-4-(7-(6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl)-6-chloro-8-fluoro-2-(((S)-2-methylenetetrahydro-1H-pyrrolizin-7a(5H)-yl)methoxy)quinazolin-4-yl)-3-methylpiperazin-1-yl)-3-(4-((dimethylamino)methyl)-5-methylpyridin-2-yl)prop-2-en-1-one)
分子名称: (2E)-1-{(3S)-4-[(7M)-7-[6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl]-6-chloro-8-fluoro-2-{[(4R,7aS)-2-methylidenetetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-4-yl]-3-methylpiperazin-1-yl}-3-{4-[(dimethylamino)methyl]-5-methylpyridin-2-yl}prop-2-en-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Ultsch, M.H.
登録日2023-10-18
公開日2023-12-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Structure-Based Design and Evaluation of Reversible KRAS G13D Inhibitors.
Acs Med.Chem.Lett., 15, 2024
7S2W
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BU of 7s2w by Molmil
Crystal structure of hen egg white lysozyme
分子名称: Lysozyme C, SODIUM ION
著者Lima, L.M.T.R, Ramos, N.G.
登録日2021-09-03
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The reproducible normality of the crystallographic B-factor.
Anal.Biochem., 645, 2022
7S2A
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BU of 7s2a by Molmil
Crystal structure of hen egg white lysozyme
分子名称: Lysozyme C, SODIUM ION
著者Lima, L.M.T.R, Ramos, N.G, Ribeiro, F.S.
登録日2021-09-03
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The reproducible normality of the crystallographic B-factor.
Anal.Biochem., 645, 2022

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