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4D5M
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Gonadotropin-releasing hormone agonist
分子名称: PHOSPHATE ION, TRIPTORELIN
著者Legrand, P, Le Du, M.-H, Valery, C, Deville-Foillard, S, Paternostre, M, Artzner, F.
登録日2014-11-05
公開日2015-08-12
最終更新日2020-03-11
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献Atomic View of the Histidine Environment Stabilizing Higher- Ph Conformations of Ph-Dependent Proteins.
Nat.Commun., 6, 2015
6ETK
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BU of 6etk by Molmil
Atomic resolution structure of RNase A (data collection 1)
分子名称: ISOPROPYL ALCOHOL, Ribonuclease pancreatic
著者Caterino, M, Vergara, A, Merlino, A.
登録日2017-10-27
公開日2018-02-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献Raman-markers of X-ray radiation damage of proteins.
Int. J. Biol. Macromol., 111, 2018
6Q00
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TDP2 UBA Domain Bound to Ubiquitin at 0.85 Angstroms Resolution, Crystal Form 1
分子名称: POTASSIUM ION, Tyrosyl-DNA phosphodiesterase 2, Ubiquitin
著者Schellenberg, M.J, Krahn, J.M, Williams, R.S.
登録日2019-08-01
公開日2020-04-29
最終更新日2020-06-24
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献Ubiquitin stimulated reversal of topoisomerase 2 DNA-protein crosslinks by TDP2.
Nucleic Acids Res., 48, 2020
6JGI
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BU of 6jgi by Molmil
Crystal structure of the S65T/F99S/M153T/V163A variant of GFP at 0.85 A
分子名称: Green fluorescent protein
著者Tai, Y, Takaba, K, Hanazono, Y, Miki, K, Takeda, K.
登録日2019-02-14
公開日2019-04-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献Subatomic resolution X-ray structures of green fluorescent protein.
Iucrj, 6, 2019
3O4P
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BU of 3o4p by Molmil
DFPase at 0.85 Angstrom resolution (H atoms included)
分子名称: 1,2-DIMETHOXYETHANE, 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-METHOXYETHOXY)ETHANE, ...
著者Liebschner, D, Elias, M, Koepke, J, Lecomte, C, Guillot, B, Jelsch, C, Chabriere, E.
登録日2010-07-27
公開日2011-08-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献Hydrogen atoms in protein structures: high-resolution X-ray diffraction structure of the DFPase.
BMC Res Notes, 6, 2013
1PQ5
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Trypsin at pH 5, 0.85 A
分子名称: ARGININE, SULFATE ION, Trypsin
著者Schmidt, A, Jelsch, C, Rypniewski, W, Lamzin, V.S.
登録日2003-06-18
公開日2003-11-11
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献Trypsin Revisited: CRYSTALLOGRAPHY AT (SUB) ATOMIC RESOLUTION AND QUANTUM CHEMISTRY REVEALING DETAILS OF CATALYSIS.
J.Biol.Chem., 278, 2003
5RDH
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BU of 5rdh by Molmil
PanDDA analysis group deposition -- Endothiapepsin ground state model 39
分子名称: Endothiapepsin
著者Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
登録日2020-03-24
公開日2020-06-03
最終更新日2020-06-17
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
7AOT
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BU of 7aot by Molmil
The Fk1 domain of FKBP51 in complex with (2R,5S,12R)-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0-5,10]tetracosa- 1(24),20,22-triene-4,11,14,17-tetrone
分子名称: (2R,5S,12R)-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0-5,10]tetracosa- 1(24),20,22-triene-4,11,14,17-tetrone, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Voll, A.M, Meyners, C, Heymann, T, Merz, S, Purder, P, Bracher, A, Hausch, F.
登録日2020-10-15
公開日2021-04-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献Macrocyclic FKBP51 Ligands Define a Transient Binding Mode with Enhanced Selectivity.
Angew.Chem.Int.Ed.Engl., 60, 2021
5YOK
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BU of 5yok by Molmil
Structure of HIV-1 Protease in Complex with Inhibitor KNI-1657
分子名称: (4R)-N-[(2,6-dimethylphenyl)methyl]-3-[(2S,3S)-3-[[(2S)-2-[(7-methoxy-1-benzofuran-2-yl)carbonylamino]-2-[(3R)-oxolan-3 -yl]ethanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, GLYCEROL, HIV-1 PROTEASE
著者Adachi, M, Hidaka, K, Kuroki, R, Kiso, Y.
登録日2017-10-29
公開日2018-07-18
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献Identification of Highly Potent Human Immunodeficiency Virus Type-1 Protease Inhibitors against Lopinavir and Darunavir Resistant Viruses from Allophenylnorstatine-Based Peptidomimetics with P2 Tetrahydrofuranylglycine.
J. Med. Chem., 61, 2018
5VLE
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BU of 5vle by Molmil
Ultrahigh Resolution X-Ray Crystal Structure of Ruthenocene Conjugated Penicilloate and Penilloate Products in Complex with CTX-M-14 E166A Beta-Lactamase
分子名称: Beta-lactamase, PHOSPHATE ION, POTASSIUM ION, ...
著者Lewandowski, E.M, Chen, Y.
登録日2017-04-25
公開日2017-11-08
最終更新日2019-12-11
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献Mechanisms of proton relay and product release by Class A beta-lactamase at ultrahigh resolution.
FEBS J., 285, 2018
4AYO
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BU of 4ayo by Molmil
Structure of The GH47 processing alpha-1,2-mannosidase from Caulobacter strain K31
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, MANNOSYL-OLIGOSACCHARIDE 1,2-ALPHA-MANNOSIDASE, ...
著者Thompson, A.J, Dabin, J, Iglesias-Fernandez, J, Iglesias-Fernandez, A, Dinev, Z, Williams, S.J, Siriwardena, A, Moreland, C, Hu, T.C, Smith, D.K, Gilbert, H.J, Rovira, C, Davies, G.J.
登録日2012-06-21
公開日2013-01-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献The Reaction Coordinate of a Bacterial Gh47 Alpha-Mannosidase: A Combined Quantum Mechanical and Structural Approach.
Angew.Chem.Int.Ed.Engl., 51, 2012
4HIF
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BU of 4hif by Molmil
Ultrahigh-resolution crystal structure of Z-DNA in complex with Zn2+ ions
分子名称: CHLORIDE ION, DNA (5'-D(*CP*GP*CP*GP*CP*G)-3'), SPERMINE (FULLY PROTONATED FORM), ...
著者Drozdzal, P, Gilski, M, Kierzek, R, Lomozik, L, Jaskolski, M.
登録日2012-10-11
公開日2013-06-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献Ultrahigh-resolution crystal structures of Z-DNA in complex with Mn(2+) and Zn(2+) ions.
Acta Crystallogr.,Sect.D, 69, 2013
4LAZ
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BU of 4laz by Molmil
Crystal structure of human AR complexed with NADP+ and {5-chloro-2-[(4-iodobenzyl)carbamoyl]phenoxy}acetic acid
分子名称: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {5-chloro-2-[(4-iodobenzyl)carbamoyl]phenoxy}acetic acid
著者Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Kolar, M, Hobza, P, Podjarny, A.
登録日2013-06-20
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献Modulation of aldose reductase inhibition by halogen bond tuning.
Acs Chem.Biol., 8, 2013
7UCP
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BU of 7ucp by Molmil
computationally designed macrocycle
分子名称: computationally designed cyclic peptide D8.3.p2
著者Bhardwaj, G, Baker, D, Rettie, S, Glynn, C, Sawaya, M.
登録日2022-03-17
公開日2022-09-14
最終更新日2022-09-28
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
7KQO
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BU of 7kqo by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain (P43 crystal form)
分子名称: Non-structural protein 3
著者Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-11-17
公開日2020-12-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
4I8K
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BU of 4i8k by Molmil
Bovine trypsin at 0.85 resolution
分子名称: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
著者Dauter, Z, Liebschner, D, Dauter, M, Brzuszkiewicz, A.
登録日2012-12-03
公開日2012-12-19
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献On the reproducibility of protein crystal structures: five atomic resolution structures of trypsin.
Acta Crystallogr.,Sect.D, 69, 2013
4AYP
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BU of 4ayp by Molmil
Structure of The GH47 processing alpha-1,2-mannosidase from Caulobacter strain K31 in complex with thiomannobioside
分子名称: CALCIUM ION, MANNOSYL-OLIGOSACCHARIDE 1,2-ALPHA-MANNOSIDASE, SODIUM ION, ...
著者Thompson, A.J, Dabin, J, Iglesias-Fernandez, J, Iglesias-Fernandez, A, Dinev, Z, Williams, S.J, Siriwardena, A, Moreland, C, Hu, T.C, Smith, D.K, Gilbert, H.J, Rovira, C, Davies, G.J.
登録日2012-06-21
公開日2013-01-30
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献The Reaction Coordinate of a Bacterial Gh47 Alpha-Mannosidase: A Combined Quantum Mechanical and Structural Approach.
Angew.Chem.Int.Ed.Engl., 51, 2012
7WCI
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BU of 7wci by Molmil
The 0.85 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with two molecules of pelargonic acid
分子名称: Fatty acid-binding protein, heart, HEXAETHYLENE GLYCOL, ...
著者Sugiyama, S, Kakinouchi, K, Takahashi, J, Matsuoka, S, Tsuchikawa, H, Sonoyama, M, Inoue, Y, Hayashi, F, Murata, M.
登録日2021-12-20
公開日2022-12-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献The 0.85 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with two molecules of pelargonic acid
To Be Published
4PTH
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BU of 4pth by Molmil
Ensemble model for Escherichia coli dihydrofolate reductase at 100K
分子名称: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ...
著者Keedy, D.A, van den Bedem, H, Sivak, D.A, Petsko, G.A, Ringe, D, Wilson, M.A, Fraser, J.S.
登録日2014-03-10
公開日2014-05-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献Crystal Cryocooling Distorts Conformational Heterogeneity in a Model Michaelis Complex of DHFR.
Structure, 22, 2014
1X8Q
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BU of 1x8q by Molmil
0.85 A Crystal Structure Of Nitrophorin 4 From Rhodnius Prolixus in Complex with Water at pH 5.6
分子名称: Nitrophorin 4, PROTOPORPHYRIN IX CONTAINING FE
著者Kondrashov, D.A, Roberts, S.A, Weichsel, A, Montfort, W.R.
登録日2004-08-18
公開日2004-10-05
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献Protein functional cycle viewed at atomic resolution: conformational change and mobility in nitrophorin 4 as a function of pH and NO binding
Biochemistry, 43, 2004
5EMB
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BU of 5emb by Molmil
Crystal structure of the SNX27 PDZ domain bound to the C-terminal phosphorylated PTHR PDZ binding motif
分子名称: GLU-GLU-TRP-SEP-THR-VAL-MET, Sorting nexin-27
著者Collins, B.M, Clairfeuille, T.
登録日2015-11-06
公開日2016-09-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献A molecular code for endosomal recycling of phosphorylated cargos by the SNX27-retromer complex.
Nat.Struct.Mol.Biol., 23, 2016
7RVE
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BU of 7rve by Molmil
Segment from the S170N mutant of the human prion protein 168-176 EYNNQNNFV
分子名称: Major prion protein
著者Glynn, C, Rodriguez, J.A, Hernandez, E.
登録日2021-08-18
公開日2022-08-24
最終更新日2024-05-22
実験手法ELECTRON CRYSTALLOGRAPHY (0.85 Å)
主引用文献Structural and Biophysical Consequences of Sequence Variation in the B2a2 Loop of Mammalian Prions
To be published
7BBX
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BU of 7bbx by Molmil
Neisseria gonorrhoeae transaldolase, variant K8A
分子名称: 1,2-ETHANEDIOL, CITRIC ACID, Transaldolase
著者Rabe von Pappenheim, F, Wensien, M, Funk, L.M, Tittmann, K.
登録日2020-12-18
公開日2021-03-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献A lysine-cysteine redox switch with an NOS bridge regulates enzyme function.
Nature, 593, 2021
3PYP
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PHOTOACTIVE YELLOW PROTEIN, CRYOTRAPPED EARLY LIGHT CYCLE INTERMEDIATE
分子名称: 4'-HYDROXYCINNAMIC ACID, PHOTOACTIVE YELLOW PROTEIN
著者Genick, U.K, Soltis, S.M, Kuhn, P, Canestrelli, I.L, Getzoff, E.D.
登録日1998-07-28
公開日1999-06-01
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献Structure at 0.85 A resolution of an early protein photocycle intermediate.
Nature, 392, 1998
6AIR
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BU of 6air by Molmil
High resolution structure of perdeuterated high-potential iron-sulfur protein
分子名称: GLYCEROL, High-potential iron-sulfur protein, IRON/SULFUR CLUSTER, ...
著者Hanazono, Y, Takeda, K, Miki, K.
登録日2018-08-24
公開日2019-08-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献Characterization of perdeuterated high-potential iron-sulfur protein with high-resolution X-ray crystallography.
Proteins, 88, 2020

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