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6BIN
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BU of 6bin by Molmil
HLA-DRB1 in complex with Type II collagen peptide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen, ...
著者Ting, Y.T, Scally, S.W, Rossjohn, J.
登録日2017-11-02
公開日2018-01-17
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.50000834 Å)
主引用文献The interplay between citrullination and HLA-DRB1 polymorphism in shaping peptide binding hierarchies in rheumatoid arthritis.
J. Biol. Chem., 293, 2018
6BR5
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BU of 6br5 by Molmil
N2 neuraminidase in complex with a novel antiviral compound
分子名称: (1R)-4-acetamido-1,5-anhydro-3-carbamimidamido-2,3,4-trideoxy-1-sulfo-D-glycero-D-galacto-octitol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Li, L.H, Ve, T, Pascolutti, M, Hadhazi, A, Bailly, B, Thomson, R.J, Gao, G.F, von Itzstein, M.
登録日2017-11-30
公開日2018-03-07
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.0379076 Å)
主引用文献A Sulfonozanamivir Analogue Has Potent Anti-influenza Virus Activity.
ChemMedChem, 13, 2018
6VDI
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BU of 6vdi by Molmil
Crystal structure of ancestral apicomplexan lactate dehydrogenase with sulfate.
分子名称: SULFATE ION, lactate dehydrogenase
著者Theobald, D.L, Wirth, J.D, Classen, S, Perlmutter, N.
登録日2019-12-27
公開日2020-01-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Mechanism of Bifunctionality in an Ancestral Apicomplexan Malate/Lactate Dehydrogenase
To Be Published
4RB4
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BU of 4rb4 by Molmil
Crystal structure of dodecameric iron-containing heptosyltransferase TibC in complex with ADP-D-beta-D-heptose at 3.9 angstrom resolution
分子名称: 1,2-ETHANEDIOL, FE (III) ION, Glycosyltransferase tibC, ...
著者Yao, Q, Lu, Q, Shao, F.
登録日2014-09-12
公開日2014-11-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.88 Å)
主引用文献A structural mechanism for bacterial autotransporter glycosylation by a dodecameric heptosyltransferase family
Elife, 3, 2014
4RDA
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BU of 4rda by Molmil
X-RAY STRUCTURE OF THE AMYLOID PRECURSOR PROTEIN-LIKE PROTEIN 1 (APLP1) E2 DOMAIN IN COMPLEX WITH A HEPARIN DODECASACCHARIDE
分子名称: 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid, 4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid, Amyloid-like protein 1, ...
著者Dahms, S.O, Than, M.E.
登録日2014-09-18
公開日2015-03-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.497 Å)
主引用文献Interaction of the amyloid precursor protein-like protein 1 (APLP1) E2 domain with heparan sulfate involves two distinct binding modes.
Acta Crystallogr.,Sect.D, 71, 2015
6BM2
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BU of 6bm2 by Molmil
Pol II elongation complex with an abasic lesion at i-1 position
分子名称: DNA (5'-D(P*CP*AP*(3DR)P*CP*TP*CP*TP*TP*GP*AP*TP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, ...
著者Wang, W, Wang, D.
登録日2017-11-13
公開日2018-02-28
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.403 Å)
主引用文献Structural basis of transcriptional stalling and bypass of abasic DNA lesion by RNA polymerase II.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4RFL
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BU of 4rfl by Molmil
Crystal structure of G1PDH with NADPH from Methanocaldococcus jannaschii
分子名称: 1,2-ETHANEDIOL, Glycerol-1-phosphate dehydrogenase [NAD(P)+], NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Carbone, V, Ronimus, R.S, Schofield, L.R, Sutherland-Smith, A.J.
登録日2014-09-26
公開日2015-07-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure and Evolution of the Archaeal Lipid Synthesis Enzyme sn-Glycerol-1-phosphate Dehydrogenase.
J.Biol.Chem., 290, 2015
6BO9
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BU of 6bo9 by Molmil
Cryo-EM structure of human TRPV6 in amphipols
分子名称: Transient receptor potential cation channel subfamily V member 6
著者McGoldrick, L.L, Singh, A.K, Saotome, K, Yelshanskaya, M.V, Twomey, E.C, Grassucci, R.A, Sobolevsky, A.I.
登録日2017-11-18
公開日2017-12-20
最終更新日2025-05-28
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Opening of the human epithelial calcium channel TRPV6.
Nature, 553, 2018
6BOQ
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BU of 6boq by Molmil
Human APE1 substrate complex with an A/A mismatch adjacent the THF
分子名称: 1,2-ETHANEDIOL, 21-mer DNA, DNA-(apurinic or apyrimidinic site) lyase
著者Freudenthal, B.D, Whitaker, A.M, Fairlamb, M.S.
登録日2017-11-20
公開日2018-08-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Apurinic/apyrimidinic (AP) endonuclease 1 processing of AP sites with 5' mismatches.
Acta Crystallogr D Struct Biol, 74, 2018
1ZRN
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BU of 1zrn by Molmil
INTERMEDIATE STRUCTURE OF L-2-HALOACID DEHALOGENASE WITH MONOCHLOROACETATE
分子名称: ACETIC ACID, L-2-HALOACID DEHALOGENASE
著者Li, Y.-F, Hata, Y, Fujii, T, Hisano, T, Nishihara, M, Kurihara, T, Esaki, N.
登録日1998-03-03
公開日1999-03-23
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Crystal structures of reaction intermediates of L-2-haloacid dehalogenase and implications for the reaction mechanism.
J.Biol.Chem., 273, 1998
4RG5
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BU of 4rg5 by Molmil
Crystal Structure of S. Pombe SMN YG-Dimer
分子名称: MALONATE ION, Maltose-binding periplasmic protein, Survival Motor Neuron protein chimera, ...
著者Gupta, K, Martin, R.S, Sarachan, K.L, Sharp, B, Van Duyne, G.D.
登録日2014-09-29
公開日2015-07-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Oligomeric Properties of Survival Motor NeuronGemin2 Complexes.
J.Biol.Chem., 290, 2015
5AI5
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BU of 5ai5 by Molmil
ligand complex structure of soluble epoxide hydrolase
分子名称: 1,3-DIPHENYLUREA, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE
著者Oster, L, Tapani, S, Xue, Y, Kack, H.
登録日2015-02-12
公開日2015-05-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
6BPX
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BU of 6bpx by Molmil
Crystal structure of cysteine-bound ferrous form of the matured Cl2-Tyr157 human cysteine dioxygenase
分子名称: CYSTEINE, Cysteine dioxygenase type 1, FE (II) ION, ...
著者Liu, A, Li, J, Shin, I.
登録日2017-11-26
公開日2018-07-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Cleavage of a carbon-fluorine bond by an engineered cysteine dioxygenase.
Nat. Chem. Biol., 14, 2018
5AKG
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BU of 5akg by Molmil
ligand complex structure of soluble epoxide hydrolase
分子名称: 5-(2-thienyl)-1,3,4-thiadiazol-2-amine, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, ...
著者Oster, L, Tapani, S, Xue, Y, Kack, H.
登録日2015-03-03
公開日2015-05-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
5AKX
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BU of 5akx by Molmil
ligand complex structure of soluble epoxide hydrolase
分子名称: 5-iodanyl-1H-indazole, DIMETHYL SULFOXIDE, SOLUBLE EPOXIDE HYDROLASE, ...
著者Oster, L, Tapani, S, Xue, Y, Kack, H.
登録日2015-03-05
公開日2015-05-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
5A51
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BU of 5a51 by Molmil
The crystal structure of Arabidopsis thaliana CAR4 in complex with two calcium ions and phophatidyl serine
分子名称: AT3G17980, CALCIUM ION, PHOSPHOSERINE
著者Diaz, M, Albert, A.
登録日2015-06-16
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.602 Å)
主引用文献Calcium-Dependent Oligomerization of Car Proteins at Cell Membrane Modulates Aba Signaling.
Proc.Natl.Acad.Sci.USA, 113, 2016
5ALG
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BU of 5alg by Molmil
ligand complex structure of soluble epoxide hydrolase
分子名称: 4-[(3-chlorophenyl)methyl]-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-oxidanylidene-1,4-benzothiazine-6-carboxamide, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, ...
著者Oster, L, Tapani, S, Xue, Y, Kack, H.
登録日2015-03-08
公開日2015-05-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
5AKJ
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BU of 5akj by Molmil
ligand complex structure of soluble epoxide hydrolase
分子名称: 2-(1H-BENZIMIDAZOL-2-YLSULFANYL)ETHANOL, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, ...
著者Oster, L, Tapani, S, Xue, Y, Kack, H.
登録日2015-03-03
公開日2015-05-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
7QNF
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BU of 7qnf by Molmil
CRYSTAL STRUCTURE OF E.coli ALCOHOL DEHYDROGENASE - FucO MUTANT N151G, L259V COMPLEXED WITH FE, NAD+, AND ETHYLENE GLYCOL
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5-DIPHOSPHORIBOSE, FE (III) ION, ...
著者Sridhar, S, Kiema, T.R, Wierenga, R.K, Widersten, M.
登録日2021-12-20
公開日2022-10-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Structures of lactaldehyde reductase, FucO, link enzyme activity to hydrogen bond networks and conformational dynamics.
Febs J., 290, 2023
5AKK
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BU of 5akk by Molmil
ligand complex structure of soluble epoxide hydrolase
分子名称: 6-bromo-1,3-dihydro-2H-indol-2-one, BIFUNCTIONAL EPOXIDE HYDROLASE 2, SULFATE ION
著者Oster, L, Tapani, S, Xue, Y, Kack, H.
登録日2015-03-03
公開日2015-05-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
4RGQ
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BU of 4rgq by Molmil
Crystal structure of the Methanocaldococcus jannaschii G1PDH with NADPH and DHAP
分子名称: 1,2-ETHANEDIOL, 1,3-DIHYDROXYACETONEPHOSPHATE, Glycerol-1-phosphate dehydrogenase, ...
著者Carbone, V, Ronimus, R.S, Schofield, L.R, Sutherland-Smith, A.J.
登録日2014-09-30
公開日2015-07-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Structure and Evolution of the Archaeal Lipid Synthesis Enzyme sn-Glycerol-1-phosphate Dehydrogenase.
J.Biol.Chem., 290, 2015
5A3A
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BU of 5a3a by Molmil
Crystal structure of the ADP-ribosylating sirtuin (SirTM) from Streptococcus pyogenes (Apo form)
分子名称: 1,2-ETHANEDIOL, GLYCINE, SIR2 FAMILY PROTEIN, ...
著者Rack, J.G.M, Morra, R, Barkauskaite, E, Kraehenbuehl, R, Ariza, A, Qu, Y, Ortmayer, M, Leidecker, O, Cameron, D.R, Matic, I, Peleg, A.Y, Leys, D, Traven, A, Ahel, I.
登録日2015-05-28
公開日2015-07-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Identification of a Class of Protein Adp-Ribosylating Sirtuins in Microbial Pathogens.
Mol.Cell, 59, 2015
4RH2
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BU of 4rh2 by Molmil
Crystal structure of human carbonic anhydrase II in complex with 2-(6-hydroxy-3-Oxo-3H-xanthen-9-yl)-5-{3-1-(4-sulfamoyl-phenyl)-1h-[1,2,3]triazol-4-ylmethyl-thioureido}-benzoic acid
分子名称: 2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-5-[({[1-(4-sulfamoylphenyl)-1H-1,2,3-triazol-4-yl]methyl}carbamothioyl)amino]benzoic acid, Carbonic anhydrase 2, GLYCEROL, ...
著者Ferraroni, M.
登録日2014-10-01
公開日2015-11-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献New classes of carbonic anhydrase inhibitors
to be published
7QNI
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BU of 7qni by Molmil
CRYSTAL STRUCTURE OF E.coli ALCOHOL DEHYDROGENASE - FucO MUTANT L259V
分子名称: CITRIC ACID, Lactaldehyde reductase
著者Sridhar, S, Kiema, T.R, Wierenga, R.K, Widersten, M.
登録日2021-12-20
公開日2022-10-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Structures of lactaldehyde reductase, FucO, link enzyme activity to hydrogen bond networks and conformational dynamics.
Febs J., 290, 2023
7QNJ
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BU of 7qnj by Molmil
CRYSTAL STRUCTURE OF E.coli ALCOHOL DEHYDROGENASE - FucO MUTANT F254I COMPLEXED WITH FE, NAD+, AND GLYCEROL
分子名称: FE (III) ION, GLYCEROL, Lactaldehyde reductase, ...
著者Sridhar, S, Kiema, T.R, Wierenga, R.K, Widersten, M.
登録日2021-12-20
公開日2022-10-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Structures of lactaldehyde reductase, FucO, link enzyme activity to hydrogen bond networks and conformational dynamics.
Febs J., 290, 2023

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