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4MLY
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BU of 4mly by Molmil
Disulfide isomerase from multidrug resistance IncA/C related integrative and conjugative elements in oxidized state (P21 space group)
分子名称: 1,3-BUTANEDIOL, DsbP
著者Premkumar, L, Kurth, F, Neyer, S, Martin, J.L.
登録日2013-09-06
公開日2013-12-11
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.207 Å)
主引用文献The Multidrug Resistance IncA/C Transferable Plasmid Encodes a Novel Domain-swapped Dimeric Protein-disulfide Isomerase.
J.Biol.Chem., 289, 2014
5K6J
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BU of 5k6j by Molmil
Human Phospodiesterase 4B in complex with pyridyloxy-benzoxaborole based inhibitor
分子名称: 1,2-ETHANEDIOL, 6-[[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-3-yl]oxy]-5-chloranyl-2-(4-oxidanylidenepentoxy)pyridine-3-carbonitrile, MAGNESIUM ION, ...
著者Rock, F.L, Zhou, Y, Sullivan, D.
登録日2016-05-24
公開日2017-05-31
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献To be published
To Be Published
5ECQ
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BU of 5ecq by Molmil
Crystal Structure of FIN219-FIP1 complex with JA, VAL and ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, GLUTATHIONE, Glutathione S-transferase U20, ...
著者Chen, C.Y, Cheng, Y.S.
登録日2015-10-20
公開日2016-11-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Structural basis of jasmonate-amido synthetase FIN219 in complex with glutathione S-transferase FIP1 during the JA signal regulation
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
2GUE
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BU of 2gue by Molmil
Crystal structure of a complex of griffithsin with N-acetylglucosamine
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, ...
著者Ziolkowska, N.E, Wlodawer, A.
登録日2006-04-29
公開日2006-08-01
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Domain-swapped structure of the potent antiviral protein griffithsin and its mode of carbohydrate binding.
Structure, 14, 2006
4PXO
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BU of 4pxo by Molmil
Crystal structure of Maleylacetoacetate isomerase from Methylobacteriu extorquens AM1 WITH BOUND MALONATE AND GSH (TARGET EFI-507068)
分子名称: 1,2-ETHANEDIOL, GLUTATHIONE, MALONIC ACID, ...
著者Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Imker, H.J, Al Obaidi, N, Stead, M, Love, J, Gerlt, J.A, Armstrong, R.N, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2014-03-24
公開日2014-04-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of glutathione s-transferase zeta from Methylobacterium extorquens (TARGET EFI-507068)
To be Published
6JV9
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BU of 6jv9 by Molmil
Crystal Structure of Human CRMP2 1-532, unmodified
分子名称: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Dihydropyrimidinase-related protein 2, ...
著者Jiang, X, Ogawa, T, Hirokawa, N.
登録日2019-04-16
公開日2019-10-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Enhanced carbonyl stress induces irreversible multimerization of CRMP2 in schizophrenia pathogenesis.
Life Sci Alliance, 2, 2019
4HMQ
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BU of 4hmq by Molmil
Crystal structure of streptococcus pneumoniae TIGR4 PiaA in complex with ferrichrome
分子名称: 1,2-ETHANEDIOL, CADMIUM ION, CHLORIDE ION, ...
著者Cheng, W, Li, Q, Jiang, Y.-L, Chen, Y, Zhou, C.-Z.
登録日2012-10-18
公開日2013-09-04
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structures of Streptococcus pneumoniae PiaA and Its Complex with Ferrichrome Reveal Insights into the Substrate Binding and Release of High Affinity Iron Transporters
Plos One, 8, 2013
1WXS
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BU of 1wxs by Molmil
Solution Structure of Ufm1, a ubiquitin-fold modifier
分子名称: Ubiquitin-fold Modifier 1
著者Sasakawa, H, Sakata, E, Yamaguchi, Y, Komatsu, M, Tatsumi, K, Kominami, E, Tanaka, K, Kato, K.
登録日2005-02-01
公開日2006-04-18
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure and dynamics of Ufm1, a ubiquitin-fold modifier 1
Biochem.Biophys.Res.Commun., 343, 2006
6K9O
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BU of 6k9o by Molmil
Crystal Structure Analysis of Protein
分子名称: Endo-1,4-beta-xylanase 2, GLYCEROL, IODIDE ION
著者Li, C, Wan, Q.
登録日2019-06-17
公開日2020-06-17
最終更新日2025-03-12
実験手法X-RAY DIFFRACTION (1.06 Å)
主引用文献Studying the Role of a Single Mutation of a Family 11 Glycoside Hydrolase Using High-Resolution X-ray Crystallography.
Protein J., 39, 2020
1BBH
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BU of 1bbh by Molmil
ATOMIC STRUCTURE OF A CYTOCHROME C' WITH AN UNUSUAL LIGAND-CONTROLLED DIMER DISSOCIATION AT 1.8 ANGSTROMS RESOLUTION
分子名称: CYTOCHROME C', HEME C
著者Ren, Z, Mcree, D.E.
登録日1992-05-18
公開日1994-01-31
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Atomic structure of a cytochrome c' with an unusual ligand-controlled dimer dissociation at 1.8 A resolution.
J.Mol.Biol., 234, 1993
5E7O
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BU of 5e7o by Molmil
Crystal structure of the perchlorate reductase PcrAB mutant W461E of PcrA from Azospira suillum PS
分子名称: 1,2-ETHANEDIOL, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, DMSO reductase family type II enzyme, ...
著者Tsai, C.-L, Tainer, J.A.
登録日2015-10-12
公開日2016-03-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Perchlorate Reductase Is Distinguished by Active Site Aromatic Gate Residues.
J.Biol.Chem., 291, 2016
6KA6
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BU of 6ka6 by Molmil
Crystal structure of plasmodium lysyl-tRNA synthetase in complex with a cladosporin derivative 1
分子名称: (3~{S})-3-[[(1~{S},3~{S})-3-methylcyclohexyl]methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one, GLYCEROL, LYSINE, ...
著者Zhou, J, Fang, P.
登録日2019-06-21
公開日2020-04-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.891 Å)
主引用文献Atomic Resolution Analyses of Isocoumarin Derivatives for Inhibition of Lysyl-tRNA Synthetase.
Acs Chem.Biol., 15, 2020
7H72
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BU of 7h72 by Molmil
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1562205518 (CHIKV_MacB-x0477)
分子名称: 1-(2-hydroxyethyl)-1H-pyrazole-4-carboxamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
登録日2024-04-26
公開日2024-05-29
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
4Q9N
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BU of 4q9n by Molmil
Crystal structure of Chlamydia trachomatis enoyl-ACP reductase (FabI) in complex with NADH and AFN-1252
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Enoyl-[acyl-carrier-protein] reductase [NADH], N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)propanamide
著者Yao, J, Abdelrahman, Y, Robertson, R.M, Cox, J.V, Belland, R.J, White, S.W, Rock, C.O.
登録日2014-05-01
公開日2014-06-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.795 Å)
主引用文献Type II Fatty Acid Synthesis Is Essential for the Replication of Chlamydia trachomatis.
J.Biol.Chem., 289, 2014
3G56
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BU of 3g56 by Molmil
Structure of the macrolide biosensor protein, MphR(A)
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Regulator of macrolide 2'-phosphotransferase I
著者Zheng, J, Sagar, V, Smolinsky, A, Bourke, C, LaRonde-LeBlanc, N, Cropp, T.A.
登録日2009-02-04
公開日2009-03-03
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure and function of the macrolide biosensor protein, MphR(A), with and without erythromycin
J.Mol.Biol., 387, 2009
2WL1
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BU of 2wl1 by Molmil
Pyrin PrySpry domain
分子名称: 1,2-ETHANEDIOL, PYRIN, THIOCYANATE ION
著者Weinert, C, Mittl, P.R, Gruetter, M.G.
登録日2009-06-19
公開日2009-10-20
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献The Crystal Structure of Human Pyrin B30.2 Domain: Implications for Mutations Associated with Familial Mediterranean Fever.
J.Mol.Biol., 394, 2009
3G7N
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BU of 3g7n by Molmil
Crystal Structure of a Triacylglycerol Lipase from Penicillium Expansum at 1.3
分子名称: DI(HYDROXYETHYL)ETHER, Lipase, PENTAETHYLENE GLYCOL, ...
著者Bian, C.B, Yuan, C, Chen, L.Q, Edward, J.M, Lin, L, Jiang, L.G, Huang, Z.X, Huang, M.D.
登録日2009-02-10
公開日2010-02-23
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal structure of a triacylglycerol lipase from Penicillium expansum at 1.3 A determined by sulfur SAD
Proteins, 78, 2010
4MSP
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BU of 4msp by Molmil
Crystal structure of human peptidyl-prolyl cis-trans isomerase FKBP22 (aka FKBP14) containing two EF-hand motifs
分子名称: CALCIUM ION, PENTAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase FKBP14, ...
著者Boudko, S.P, Ishikawa, Y, Bachinger, H.P.
登録日2013-09-18
公開日2013-12-25
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of human peptidyl-prolyl cis-trans isomerase FKBP22 containing two EF-hand motifs.
Protein Sci., 23, 2014
7E9R
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BU of 7e9r by Molmil
Crystal structure of Sesquisabinene B Synthase 1 mutant T313S
分子名称: MAGNESIUM ION, Sesquisabinene B synthase 1
著者Singh, S, Thulasiram, H.V, Kulkarni, K.A.
登録日2021-03-04
公開日2022-03-09
最終更新日2024-08-14
実験手法X-RAY DIFFRACTION (3.41 Å)
主引用文献Crystal structure of Sesquisabinene B Synthase 1 mutant T313S
To Be Published
7X2L
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BU of 7x2l by Molmil
Crystal structure of nanobody 3-2A2-4 with SARS-CoV-2 RBD
分子名称: Nanobody 3-2A2-4, Spike protein S1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
著者Wang, X.Q, Zhang, L.Q, Ren, Y.F, Li, M.X.
登録日2022-02-25
公開日2022-12-07
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Broadly neutralizing and protective nanobodies against SARS-CoV-2 Omicron subvariants BA.1, BA.2, and BA.4/5 and diverse sarbecoviruses.
Nat Commun, 13, 2022
4MIK
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BU of 4mik by Molmil
Crystal Structure of hPNMT in Complex with bisubstrate inhibitor (2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-(((2-(((7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl)amino)ethyl)thio)methyl)tetrahydrofuran-3,4-diol
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 9-{5-S-[2-({[(3S)-7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl}amino)ethyl]-5-thio-alpha-L-lyxofuranosyl}-9H-purin-6-amine, Phenylethanolamine N-methyltransferase
著者Bart, A.G, Scott, E.E.
登録日2013-08-31
公開日2014-09-10
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.9506 Å)
主引用文献To be published
To be Published
1RZT
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BU of 1rzt by Molmil
Crystal structure of DNA polymerase lambda complexed with a two nucleotide gap DNA molecule
分子名称: 1,2-ETHANEDIOL, 5'-D(*CP*GP*GP*CP*AP*AP*CP*GP*CP*AP*C)-3', 5'-D(*GP*TP*GP*CP*G)-3', ...
著者Pedersen, L.C, Garcia-Diaz, M, Bebenek, K, Krahn, J.M, Blanco, L, Kunkel, T.A.
登録日2003-12-29
公開日2004-03-02
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A structural solution for the DNA polymerase lambda-dependent repair of DNA gaps with minimal homology.
Mol.Cell, 13, 2004
1PMY
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BU of 1pmy by Molmil
REFINED CRYSTAL STRUCTURE OF PSEUDOAZURIN FROM METHYLOBACTERIUM EXTORQUENS AM1 AT 1.5 ANGSTROMS RESOLUTION
分子名称: COPPER (II) ION, PSEUDOAZURIN
著者Inoue, T, Kai, Y, Harada, S, Kasai, N, Ohshiro, Y, Suzuki, S, Kohzuma, T, Tobari, J.
登録日1994-01-28
公開日1994-07-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Refined crystal structure of pseudoazurin from Methylobacterium extorquens AM1 at 1.5 A resolution.
Acta Crystallogr.,Sect.D, 50, 1994
1JV4
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BU of 1jv4 by Molmil
Crystal structure of recombinant major mouse urinary protein (rmup) at 1.75 A resolution
分子名称: 2-(SEC-BUTYL)THIAZOLE, CADMIUM ION, Major urinary protein 2
著者Kuser, P.R, Franzoni, L, Ferrari, E, Spisni, A, Polikarpov, I.
登録日2001-08-28
公開日2001-12-05
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The X-ray structure of a recombinant major urinary protein at 1.75 A resolution. A comparative study of X-ray and NMR-derived structures.
Acta Crystallogr.,Sect.D, 57, 2001
5TUO
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BU of 5tuo by Molmil
Crystal structure of the complex of Helicobacter pylori alpha-carbonic anhydrase with 5-amino-1,3,4-thiadiazole-2-sulfonamide inhibitor.
分子名称: 5-AMINO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Alpha-carbonic anhydrase, CHLORIDE ION, ...
著者Modak, J.K, Roujeinikova, A.
登録日2016-11-06
公開日2017-09-13
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-Activity Relationship for Sulfonamide Inhibition of Helicobacter pylori alpha-Carbonic Anhydrase.
J. Med. Chem., 59, 2016

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