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7WKG
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BU of 7wkg by Molmil
The 0.84 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with erucic acid
分子名称: (Z)-docos-13-enoic acid, Fatty acid-binding protein, heart, ...
著者Sugiyama, S, Kakinouchi, K, Nakano, R, Matsuoka, S, Tsuchikawa, H, Sonoyama, M, Inoue, Y, Hayashi, F, Murata, M.
登録日2022-01-09
公開日2023-01-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (0.84 Å)
主引用文献The 0.84 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with erucic acid
To Be Published
8V5Z
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BU of 8v5z by Molmil
UIC-1 mutant - UIC-1-L6M
分子名称: ACETONITRILE, UIC-1-L6M
著者Heinz-Kunert, S.L.
登録日2023-12-01
公開日2024-03-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (0.84 Å)
主引用文献Pore Restructuring of Peptide Frameworks by Mutations at Distal Packing Residues.
Biomacromolecules, 25, 2024
7TX0
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BU of 7tx0 by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ADP-ribose at pH 9 (P43 crystal form)
分子名称: Non-structural protein 3, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE
著者Correy, G.J, Fraser, J.S.
登録日2022-02-07
公開日2022-02-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (0.84 Å)
主引用文献Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ADP-ribose at pH 9 (P43 crystal form)
To Be Published
2O7A
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BU of 2o7a by Molmil
T4 lysozyme C-terminal fragment
分子名称: ACETATE ION, CHLORIDE ION, Lysozyme
著者Echols, N, Kwon, E, Marqusee, S.M, Alber, T.
登録日2006-12-10
公開日2007-04-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (0.84 Å)
主引用文献Exploring subdomain cooperativity in T4 lysozyme I: Structural and energetic studies of a circular permutant and protein fragment.
Protein Sci., 16, 2007
7BNH
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BU of 7bnh by Molmil
Complex structure at atomic resolution of SH3b domain with benzoic acid
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BENZOIC ACID, GLYCEROL, ...
著者Malecki, P.H, Sabala, I.
登録日2021-01-22
公開日2021-02-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (0.84 Å)
主引用文献Complex structure of SH3b domain with benzoic acid
To Be Published
5MAS
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BU of 5mas by Molmil
Peptaibol Bergofungin A
分子名称: Bergofungin A
著者Gessmann, R, Petratos, K.
登録日2016-11-04
公開日2017-02-22
最終更新日2017-03-01
実験手法X-RAY DIFFRACTION (0.84 Å)
主引用文献A natural, single-residue substitution yields a less active peptaibiotic: the structure of bergofungin A at atomic resolution.
Acta Crystallogr F Struct Biol Commun, 73, 2017
4EIC
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BU of 4eic by Molmil
Crystal structure of reduced cytochrome c6 from Synechococcus sp. PCC 7002 at ultra-high resolution
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cytochrome c6, HEME C
著者Krzywda, S, Bialek, W, Jaskolski, M, Szczepaniak, A.
登録日2012-04-05
公開日2013-04-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (0.84 Å)
主引用文献Cytochrome c6 and c6C from Synechococcus sp. PCC 7002 - structure and function.
To be Published
3ZQV
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BU of 3zqv by Molmil
RECOMBINANT NATIVE CYTOCHROME C PRIME FROM ALCALIGENES XYLOSOXIDANS AT 0.84 A RESOLUTION: NON-RESTRAINED REFINEMENT
分子名称: CYTOCHROME C', HEME C, SULFATE ION
著者Antonyuk, S.V, Eady, R.R, Hasnain, S.S.
登録日2011-06-12
公開日2011-10-05
最終更新日2020-03-11
実験手法X-RAY DIFFRACTION (0.84 Å)
主引用文献Carbon Monoxide Poisoning is Prevented by the Energy Costs of Conformational Changes in Gas- Binding Haemproteins.
Proc.Natl.Acad.Sci.USA, 108, 2011
7FFK
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BU of 7ffk by Molmil
The 0.84 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with palmitoleic acid
分子名称: Fatty acid-binding protein, heart, HEXAETHYLENE GLYCOL, ...
著者Sugiyama, S, Kakinouchi, K, Matsuoka, S, Tsuchikawa, H, Sonoyama, M, Inoue, Y, Hayashi, F, Murata, M.
登録日2021-07-23
公開日2022-07-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (0.84 Å)
主引用文献The 0.84 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with palmitoleic acid
To Be Published
1XVO
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BU of 1xvo by Molmil
Trypsin from Fusarium oxysporum at pH 6
分子名称: SULFATE ION, trypsin
著者Schmidt, A, Lamzin, V.S.
登録日2004-10-28
公開日2005-07-26
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (0.84 Å)
主引用文献Extraction of functional motion in trypsin crystal structures.
Acta Crystallogr.,Sect.D, 61, 2005
2HS1
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BU of 2hs1 by Molmil
Ultra-high resolution X-ray crystal structure of HIV-1 protease V32I mutant with TMC114 (darunavir) inhibitor
分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Weber, I.T, Kovalevsky, A.Y.
登録日2006-07-20
公開日2006-10-03
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (0.84 Å)
主引用文献Ultra-high Resolution Crystal Structure of HIV-1 Protease Mutant Reveals Two Binding Sites for Clinical Inhibitor TMC114.
J.Mol.Biol., 363, 2006
4LAU
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BU of 4lau by Molmil
Crystal structure of human AR complexed with NADP+ and {2-[(4-bromobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid
分子名称: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {2-[(4-bromobenzyl)carbamoyl]-5-chlorophenoxy}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 (0.843 Å)
主引用文献Modulation of aldose reductase inhibition by halogen bond tuning.
Acs Chem.Biol., 8, 2013
4PSS
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BU of 4pss by Molmil
Multiconformer 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2014-03-07
公開日2014-06-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (0.849 Å)
主引用文献Crystal Cryocooling Distorts Conformational Heterogeneity in a Model Michaelis Complex of DHFR.
Structure, 22, 2014
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
1MC2
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BU of 1mc2 by Molmil
monomeric LYS-49 phospholipase A2 homologue purified from AG
分子名称: Acutohaemonlysin, ISOPROPYL ALCOHOL
著者Liu, Q, Huang, Q.Q, Zhang, R.G, Weeks, C.M, Jelsch, C, Teng, M.K, Niu, L.W.
登録日2002-08-05
公開日2002-08-21
最終更新日2018-02-14
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献The crystal structure of a novel, inactive, lysine 49 PLA2 from Agkistrodon acutus venom: an ultrahigh resolution, AB initio structure determination
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
4O8H
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BU of 4o8h by Molmil
0.85A resolution structure of PEG 400 Bound Cyclophilin D
分子名称: DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase F, ...
著者Lovell, S, Valasani, K.R, Battaile, K.P, Wang, C, Yan, S.S.
登録日2013-12-27
公開日2014-06-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献High-resolution crystal structures of two crystal forms of human cyclophilin D in complex with PEG 400 molecules.
Acta Crystallogr F Struct Biol Commun, 70, 2014
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
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
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
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
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
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
7P4R
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BU of 7p4r by Molmil
Ultra High Resolution X-ray Structure of Orthorhombic Bovine Pancreatic Ribonuclease at 100K
分子名称: ETHANOL, Ribonuclease pancreatic, SULFATE ION
著者Lisgarten, D.R, Palmer, R.A, Cooper, J.B, Naylor, C.E, Howlin, B.J, Lisgarten, J.N, Najmudin, S, Lobley, C.M.C.
登録日2021-07-12
公開日2022-07-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献Ultra-high resolution X-ray structure of orthorhombic bovine pancreatic Ribonuclease A at 100K.
BMC Chem, 17, 2023
6AIQ
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BU of 6aiq by Molmil
High resolution structure of recombinant 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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