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2PF8
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BU of 2pf8 by Molmil
Complex of Aldose Reductase with NADP+ and simaltaneously bound competetive inhibitors Fidarestat and IDD594. Concentration of Fidarestat in soaking solution is equal to concentration of IDD594.
分子名称: (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Aldose reductase, CHLORIDE ION, ...
著者Petrova, T, Hazemann, I, Cousido, A, Mitschler, A, Ginell, S, Joachimiak, A, Podjarny, A.
登録日2007-04-04
公開日2007-04-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献Crystal packing modifies ligand binding affinity: The case of aldose reductase.
Proteins, 80, 2012
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
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
1PQ5
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BU of 1pq5 by Molmil
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
2OL9
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BU of 2ol9 by Molmil
Peptide corresponding to residues 170-175 of human prion
分子名称: peptide from human prion
著者Apostol, M.A, Sawaya, M.R, Eisenberg, D.
登録日2007-01-18
公開日2007-01-30
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献Atomic structures of amyloid cross-beta spines reveal varied steric zippers.
Nature, 447, 2007
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
1M40
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BU of 1m40 by Molmil
ULTRA HIGH RESOLUTION CRYSTAL STRUCTURE OF TEM-1
分子名称: BETA-LACTAMASE TEM, PHOSPHATE ION, PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE, ...
著者Minasov, G, Wang, X, Shoichet, B.K.
登録日2002-07-01
公開日2002-07-17
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献An ultrahigh resolution structure of TEM-1 beta-lactamase suggests a role for Glu166 as the general base in acylation.
J.Am.Chem.Soc., 124, 2002
2F01
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BU of 2f01 by Molmil
Epi-biotin complex with core streptavidin
分子名称: BIOTIN, EPI-BIOTIN, GLYCEROL, ...
著者Le Trong, I, Aubert, D.G, Thomas, N.R, Stenkamp, R.E.
登録日2005-11-10
公開日2005-11-29
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献The high-resolution structure of (+)-epi-biotin bound to streptavidin.
Acta Crystallogr.,Sect.D, 62, 2006
2FMA
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BU of 2fma by Molmil
Structure of the Alzheimer's Amyloid Precursor Protein (APP) Copper Binding Domain in 'small unit cell' form, atomic resolution
分子名称: Amyloid beta A4 protein precursor, GLYCEROL
著者Kong, G.K.-W.
登録日2006-01-08
公開日2007-01-16
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献Structure of Alzheimer's disease amyloid precursor protein copper-binding domain at atomic resolution.
Acta Crystallogr.,Sect.F, 63, 2007
3U7T
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BU of 3u7t by Molmil
Room temperature ultra-high resolution time-of-flight neutron and X-ray diffraction studies of H/D exchanged crambin
分子名称: Crambin
著者Chen, J.C.-H.
登録日2011-10-14
公開日2012-02-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献Room-temperature ultrahigh-resolution time-of-flight neutron and X-ray diffraction studies of H/D-exchanged crambin.
Acta Crystallogr.,Sect.F, 68, 2012
5NQI
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BU of 5nqi by Molmil
E.coli 16S rRNA Sarcin-Ricin Loop containing a 5-hydroxymethylcytosine modification
分子名称: E.Coli 27-mer SRL RNA
著者Ennifar, E, Micura, R.
登録日2017-04-20
公開日2017-07-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (0.851 Å)
主引用文献Synthesis, Thermodynamic Properties, and Crystal Structure of RNA Oligonucleotides Containing 5-Hydroxymethylcytosine.
J. Org. Chem., 82, 2017
5MRX
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BU of 5mrx by Molmil
27-nt SRL with a 5-hydroxymethyl cytidine modification
分子名称: RNA (27-MER)
著者Ennifar, E, Micura, R.
登録日2016-12-28
公開日2018-01-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (0.851 Å)
主引用文献Synthesis, Thermodynamic Properties, and Crystal Structure of RNA Oligonucleotides Containing 5-Hydroxymethylcytosine
J.Org.Chem., 2017
6Q01
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BU of 6q01 by Molmil
TDP2 UBA Domain Bound to Ubiquitin at 0.85 Angstroms Resolution, Crystal Form 2
分子名称: 1,2-ETHANEDIOL, BENZOIC ACID, MAGNESIUM ION, ...
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2024-03-13
実験手法X-RAY DIFFRACTION (0.851 Å)
主引用文献Ubiquitin stimulated reversal of topoisomerase 2 DNA-protein crosslinks by TDP2.
Nucleic Acids Res., 48, 2020
6KL1
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BU of 6kl1 by Molmil
Crystal structure of the S65T/F99S/M153T/V163A variant of non-deuterated GFP at pD 8.5
分子名称: Green fluorescent protein
著者Tai, Y, Takaba, K, Hanazono, Y, Dao, H.A, Miki, K, Takeda, K.
登録日2019-07-28
公開日2019-12-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (0.851 Å)
主引用文献X-ray crystallographic studies on the hydrogen isotope effects of green fluorescent protein at sub-angstrom resolutions
Acta Crystallogr.,Sect.D, 75, 2019
5D9E
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BU of 5d9e by Molmil
Crystal Structure of the Proline-rich Lasso Peptide Caulosegnin II
分子名称: CHLORIDE ION, Caulosegnin II
著者Fage, C.D, Hegemann, J.D, Harms, K, Marahiel, M.A.
登録日2015-08-18
公開日2016-02-17
最終更新日2019-05-08
実験手法X-RAY DIFFRACTION (0.859 Å)
主引用文献The ring residue proline 8 is crucial for the thermal stability of the lasso peptide caulosegnin II.
Mol Biosyst, 12, 2016
5MNN
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BU of 5mnn by Molmil
Cationic trypsin in complex with N-amidinopiperidine (deuterated sample at 100 K)
分子名称: CALCIUM ION, Cationic trypsin, SULFATE ION, ...
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-12-13
公開日2018-01-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (0.859 Å)
主引用文献Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes.
Nat Commun, 9, 2018
1MUW
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BU of 1muw by Molmil
The 0.86 Angstrom Structure of Xylose Isomerase
分子名称: HYDROXIDE ION, MAGNESIUM ION, MANGANESE (II) ION, ...
著者Fenn, T.D, Ringe, D, Petsko, G.A.
登録日2002-09-24
公開日2002-11-06
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (0.86 Å)
主引用文献Active Site Dynamics at 0.86A: Crystallographic Analysis of a Metal-Mediated Hydride Shift
To be Published
7QSH
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BU of 7qsh by Molmil
23S ribosomal RNA Sarcin Ricin Loop 27-nt fragment containing a Xanthosine residue at position 2648
分子名称: 23S ribosomal RNA Sarcin Ricin Loop 27-nucleotide fragment, 9-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[[tris(oxidanyl)-$l^{5}-phosphanyl]oxymethyl]oxolan-2-yl]-2-oxidanyl-1~{H}-purin-6-one, GLYCEROL, ...
著者Ennifar, E, Micura, R.
登録日2022-01-13
公開日2023-01-25
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (0.86 Å)
主引用文献Towards a comprehensive understanding of RNA deamination: synthesis and properties of xanthosine-modified RNA.
Nucleic Acids Res., 50, 2022
4UAA
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BU of 4uaa by Molmil
CTX-M-14 Class A Beta-Lactamase in Complex with a Non-Covalent Inhibitor at Sub-Angstrom Resolution
分子名称: Beta-lactamase CTX-M-14, N-[3-(2H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole-4-carboxamide, PHOSPHATE ION
著者Nichols, D.A, Chen, Y.
登録日2014-08-08
公開日2015-06-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (0.86 Å)
主引用文献Ligand-Induced Proton Transfer and Low-Barrier Hydrogen Bond Revealed by X-ray Crystallography.
J.Am.Chem.Soc., 137, 2015
8K9N
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BU of 8k9n by Molmil
Subatomic resolution structure of Pseudoazurin from Alcaligenes faecalis
分子名称: COPPER (II) ION, Pseudoazurin, SULFATE ION
著者Fukuda, Y, Lintuluoto, M, Kurihara, K, Hasegawa, K, Inoue, T, Tamada, T.
登録日2023-08-01
公開日2024-02-14
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (0.86 Å)
主引用文献Overlooked Hydrogen Bond in a Blue Copper Protein Uncovered by Neutron and Sub- angstrom ngstrom Resolution X-ray Crystallography.
Biochemistry, 63, 2024
2DDX
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BU of 2ddx by Molmil
Crystal structure of beta-1,3-xylanase from Vibrio sp. AX-4
分子名称: GLYCEROL, MAGNESIUM ION, beta-1,3-xylanase
著者Sakaguchi, K.
登録日2006-02-06
公開日2007-02-13
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (0.86 Å)
主引用文献Atomic resolution analysis of beta-1,3-xylanase catalytic module from Vibrio sp. AX-4
To be Published
6S2S
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BU of 6s2s by Molmil
Hydrogenated human myelin protein P2 at 0.86-A resolution
分子名称: CITRIC ACID, Myelin P2 protein, PALMITIC ACID, ...
著者Laulumaa, S, Kursula, P.
登録日2019-06-21
公開日2019-08-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (0.86 Å)
主引用文献Sub-Atomic Resolution Crystal Structures Reveal Conserved Geometric Outliers at Functional Sites.
Molecules, 24, 2019
3WDN
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BU of 3wdn by Molmil
High-resolution X-ray crystal structure of bovine H-protein using a high-pressure cryocooling method
分子名称: GLYCEROL, Glycine cleavage system H protein, mitochondrial
著者Higashiura, A, Nakagawa, A.
登録日2013-06-19
公開日2013-10-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (0.86 Å)
主引用文献High-resolution X-ray crystal structure of bovine H-protein using the high-pressure cryocooling method
J.SYNCHROTRON RADIAT., 20, 2013
7WJ1
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BU of 7wj1 by Molmil
The 0.86 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with arachidonic acid
分子名称: ARACHIDONIC 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2022-01-05
公開日2023-01-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (0.86 Å)
主引用文献The 0.86 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with arachidonic acid
To Be Published
1G6X
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BU of 1g6x by Molmil
ULTRA HIGH RESOLUTION STRUCTURE OF BOVINE PANCREATIC TRYPSIN INHIBITOR (BPTI) MUTANT WITH ALTERED BINDING LOOP SEQUENCE
分子名称: 1,2-ETHANEDIOL, PANCREATIC TRYPSIN INHIBITOR, SULFATE ION
著者Addlagatta, A, Czapinska, H, Krzywda, S, Otlewski, J, Jaskolski, M.
登録日2000-11-08
公開日2001-05-09
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (0.86 Å)
主引用文献Ultrahigh-resolution structure of a BPTI mutant.
Acta Crystallogr.,Sect.D, 57, 2001

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