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5OWD
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Vitamin D receptor complex
分子名称: (1~{S},3~{Z})-3-[(2~{E})-2-[(1~{S},3~{a}~{S},7~{a}~{S})-7~{a}-methyl-1-[(2~{S})-6-methyl-2-oxidanyl-hept-5-en-2-yl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol, Nuclear receptor coactivator 1, Vitamin D3 receptor A
著者Rochel, N, Li, W.
登録日2017-08-31
公開日2018-02-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.151 Å)
主引用文献Investigation of 20S-hydroxyvitamin D3 analogs and their 1 alpha-OH derivatives as potent vitamin D receptor agonists with anti-inflammatory activities.
Sci Rep, 8, 2018
1ABF
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SUBSTRATE SPECIFICITY AND AFFINITY OF A PROTEIN MODULATED BY BOUND WATER MOLECULES
分子名称: L-ARABINOSE-BINDING PROTEIN, alpha-D-fucopyranose, beta-D-fucopyranose
著者Wilson, D.K, Quiocho, F.A.
登録日1992-04-23
公開日1993-10-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Substrate specificity and affinity of a protein modulated by bound water molecules.
Nature, 340, 1989
1NOW
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Human lysosomal beta-hexosaminidase isoform B in complex with (2R,3R,4S,5R)-2-Acetamido-3,4-Dihydroxy-5-Hydroxymethyl-Piperidinium Chloride (GalNAc-isofagomine)
分子名称: (2R,3R,4S,5R)-2-ACETAMIDO-3,4-DIHYDROXY-5-HYDROXYMETHYL-PIPERIDINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
著者Mark, B.L, Mahuran, D.J, Cherney, M.M, Zhao, D, Knapp, S, James, M.N.G.
登録日2003-01-16
公開日2003-04-29
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of Human beta-hexosaminidase B: Understanding the molecular basis of Sandhoff and Tay-Sachs disease
J.Mol.Biol., 327, 2003
3OZP
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Crystal Structure of insect beta-N-acetyl-D-hexosaminidase OfHex1 complexed with PUGNAc
分子名称: N-acetylglucosaminidase, O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE
著者Zhang, H, Liu, T, Liu, F, Shen, X, Yang, Q.
登録日2010-09-27
公開日2011-08-17
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Active-pocket size differentiating insectile from bacterial chitinolytic beta-N-acetyl-D-hexosaminidases
Biochem.J., 438, 2011
1M04
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Mutant Streptomyces plicatus beta-hexosaminidase (D313N) in complex with product (GlcNAc)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-N-acetylhexosaminidase, CHLORIDE ION, ...
著者Williams, S.J, Mark, B.L, Vocadlo, D.J, James, M.N.G, Withers, S.G.
登録日2002-06-11
公開日2002-12-11
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Aspartate 313 in the Streptomyces plicatus hexosaminidase plays a critical role in substrate-assisted catalysis by orienting the 2-acetamido group and stabilizing the transition state.
J.Biol.Chem., 277, 2002
4NQD
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Crystal structure of TCR-MR1 ternary complex and non-covalently bound 5-(2-oxopropylideneamino)-6-D-ribitylaminouracil
分子名称: 1-deoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, GLYCEROL, ...
著者Birkinshaw, R.W, Rossjohn, J.
登録日2013-11-25
公開日2014-04-16
最終更新日2014-11-19
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献T-cell activation by transitory neo-antigens derived from distinct microbial pathways.
Nature, 509, 2014
3FYU
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Crystal structure of acetyl xylan esterase from Bacillus pumilus obtained in presence of D-xylose and sodium acetate
分子名称: 1,2-ETHANEDIOL, ACETIC ACID, Acetyl xylan esterase, ...
著者Krastanova, I, Cassetta, A, Lamba, D.
登録日2009-01-23
公開日2010-01-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Structural and functional studies of Bacillus pumilus acetyl xylan esterase
To be Published
1OUY
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The structure of p38 alpha in complex with a dihydropyrido-pyrimidine inhibitor
分子名称: 1-(2,6-DICHLOROPHENYL)-6-[(2,4-DIFLUOROPHENYL)SULFANYL]-7-(1,2,3,6-TETRAHYDRO-4-PYRIDINYL)-3,4-DIHYDROPYRIDO[3,2-D]PYRIMIDIN-2(1H)-ONE, Mitogen-activated protein kinase 14
著者Fitzgerald, C.E, Patel, S.B, Becker, J.W, Cameron, P.M, Zaller, D, Pikounis, V.B, O'Keefe, S.J, Scapin, G.
登録日2003-03-25
公開日2003-09-02
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for p38alpha MAP kinase quinazolinone and pyridol-pyrimidine inhibitor specificity
Nat.Struct.Biol., 10, 2003
5W1Q
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Crystal structure of alternate isoform of glutamate racemase from Helicobacter pylori bound to D-glutamate
分子名称: D-GLUTAMIC ACID, GLYCEROL, Glutamate racemase
著者Vance, N.R, Spies, M.A.
登録日2017-06-04
公開日2017-06-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of alternate isoform of glutamate racemase from Helicobacter pylori bound to D-glutamate
To Be Published
6LE2
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Structure of D-carbamoylase mutant from Nitratireductor indicus
分子名称: 1,2-ETHANEDIOL, GLYCEROL, N-carbamoyl-D-amino-acid hydrolase
著者Ni, Y, Liu, Y.F, Xu, G.C, Dai, W.
登録日2019-11-23
公開日2020-10-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Structure-Guided Engineering of D-Carbamoylase Reveals a Key Loop at Substrate Entrance Tunnel
Acs Catalysis, 10, 2020
6L84
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Complex of DNA polymerase IV and D-DNA duplex
分子名称: CALCIUM ION, DNA (5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*TP*CP*C)-3'), DNA (5'-D(P*CP*GP*GP*AP*AP*TP*CP*CP*TP*TP*CP*CP*CP*CP*C)-3'), ...
著者Chung, H.S, An, J, Hwang, D.
登録日2019-11-04
公開日2020-07-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.602 Å)
主引用文献The crystal structure of a natural DNA polymerase complexed with mirror DNA.
Chem.Commun.(Camb.), 56, 2020
5OX1
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Glycogen Phosphorylase in complex with JLH270
分子名称: (2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-[5-(4-methoxyphenyl)-1~{H}-1,2,4-triazol-3-yl]oxane-3,4,5-triol, DIMETHYL SULFOXIDE, Glycogen phosphorylase, ...
著者Kyriakis, E, Stravodimos, G.A, Kantsadi, A.L, Chatzileontiadou, D.S.M, Leonidas, D.D.
登録日2017-09-05
公開日2018-02-28
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Probing the beta-pocket of the active site of human liver glycogen phosphorylase with 3-(C-beta-d-glucopyranosyl)-5-(4-substituted-phenyl)-1, 2, 4-triazole inhibitors.
Bioorg. Chem., 77, 2018
5OWY
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Glycogen Phosphorylase in complex with KS252
分子名称: 4-[5-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-4~{H}-1,2,4-triazol-3-yl]benzoic acid, Glycogen phosphorylase, muscle form, ...
著者Kyriakis, E, Stravodimos, G, Kantsadi, A, Chatzileontiadou, D, Leonidas, D.
登録日2017-09-05
公開日2018-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Probing the beta-pocket of the active site of human liver glycogen phosphorylase with 3-(C-beta-d-glucopyranosyl)-5-(4-substituted-phenyl)-1, 2, 4-triazole inhibitors.
Bioorg. Chem., 77, 2018
6LED
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Structure of D-carbamoylase mutant from Nitratireductor indicus
分子名称: 1,2-ETHANEDIOL, N-carbamoyl-D-amino-acid hydrolase
著者Ni, Y, Liu, Y.F, Xu, G.C.
登録日2019-11-25
公開日2020-10-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Structure-Guided Engineering of D-Carbamoylase Reveals a Key Loop at Substrate Entrance Tunnel
Acs Catalysis, 10, 2020
4CUK
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BU of 4cuk by Molmil
Structure of Salmonella D-Lactate Dehydrogenase in complex with NADH
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, D-LACTATE DEHYDROGENASE
著者Attarataya, J, Zaccai, N.R, Brady, R.L.
登録日2014-03-19
公開日2015-05-27
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献The Structure of Salmonella D-Lactate Dehydrogenase
To be Published
3GA5
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X-ray structure of glucose/galactose receptor from Salmonella typhimurium in complex with (2R)-glyceryl-beta-D-galactopyranoside
分子名称: (2R)-2,3-dihydroxypropyl beta-D-galactopyranoside, CALCIUM ION, D-galactose-binding periplasmic protein, ...
著者Sooriyaarachchi, S, Ubhayasekera, W, Mowbray, S.L.
登録日2009-02-16
公開日2009-04-14
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献X-ray structure of glucose/galactose receptor from Salmonella typhimurium in complex with the physiological ligand, (2R)-glyceryl-beta-D-galactopyranoside
Febs J., 276, 2009
3TPX
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BU of 3tpx by Molmil
Crystal structure of human MDM2 in complex with a trifluoromethylated D-peptide inhibitor
分子名称: ACETATE ION, CHLORIDE ION, D-peptide inhibitor DPMI-delta, ...
著者Wu, X, Pazgier, M.
登録日2011-09-08
公開日2012-06-20
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献An Ultrahigh Affinity d-Peptide Antagonist Of MDM2.
J.Med.Chem., 55, 2012
3OVW
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ENDOGLUCANASE I NATIVE STRUCTURE
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ENDOGLUCANASE I
著者Davies, G.J, Schulein, M.
登録日1997-10-06
公開日1998-04-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of the endoglucanase I from Fusarium oxysporum: native, cellobiose, and 3,4-epoxybutyl beta-D-cellobioside-inhibited forms, at 2.3 A resolution.
Biochemistry, 36, 1997
1FSG
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TOXOPLASMA GONDII HYPOXANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE COMPLEXED WITH 9-DEAZAGUANINE, ALPHA-D-5-PHOSPHORIBOSYL-1-PYROPHOSPHATE (PRPP) AND TWO MG2+ IONS
分子名称: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, 9-DEAZAGUANINE, HYPOXANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE, ...
著者Heroux, A, White, E.L, Ross, L.J, Kuzin, A.P, Borhani, D.W.
登録日2000-09-08
公開日2000-12-06
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Substrate deformation in a hypoxanthine-guanine phosphoribosyltransferase ternary complex: the structural basis for catalysis.
Structure Fold.Des., 8, 2000
3P0Z
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Crystal structure of 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei with cytidine and FOL955, 4-(1H-imidazol)-1-yl)phenol
分子名称: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 4-(1H-IMIDAZOL-1-YL)PHENOL, 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2010-09-29
公開日2010-10-20
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei.
J Struct Funct Genomics, 12, 2011
2VVS
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BtGH84 structure in complex with PUGNAc
分子名称: O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE, O-GLCNACASE BT_4395
著者Macauley, M.S, Bubb, A, Martinez-Fleites, C, Davies, G.J, Vocadlo, D.J.
登録日2008-06-11
公開日2008-09-30
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Elevation of Global O-Glcnac Levels in 3T3-L1 Adipocytes by Selective Inhibition of O-Glcnacase Does not Induce Insulin Resistance
J.Biol.Chem., 283, 2008
1OJI
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Anatomy of glycosynthesis: Structure and kinetics of the Humicola insolens Cel7B E197A and E197S glycosynthase mutants
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ENDOGLUCANASE I, GLYCEROL
著者Ducros, V.M.-A, Tarling, C.A, Zechel, D.L, Brzozowski, A.M, Frandsen, T.P, Von Ossowski, I, Schulein, M, Withers, S.G, Davies, G.J.
登録日2003-07-10
公開日2004-01-07
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Anatomy of Glycosynthesis: Structure and Kinetics of the Humicola Insolens Cel7B E197A and E197S Glycosynthase Mutants
Chem.Biol., 10, 2003
1OJ1
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Nonproductive and Novel Binding Modes in Cytotoxic Ribonucleases from Rana catesbeiana of Two Crystal Structures Complexed with (2,5 CpG) and d(ApCpGpA)
分子名称: CYTIDYL-2'-5'-PHOSPHO-GUANOSINE, RC-RNASE6 RIBONUCLEASE, SULFATE ION
著者Tsai, C.-J, Liu, J.-H, Liao, Y.-D, Chen, L.-y, Cheng, P.-T, Sun, Y.-J.
登録日2003-06-28
公開日2004-07-15
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Nonproductive and Novel Binding Modes in Cytotoxic Ribonucleases from Rana Catesbeiana of Two Crystal Structures Complexed with C(2,5 Cpg) and D(Apcpgpa)
To be Published
185D
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BU of 185d by Molmil
SEQUENCE SPECIFICITY OF QUINOXALINE ANTIBIOTICS. 1. SOLUTION STRUCTURE OF A 1:1 COMPLEX BETWEEN TRIOSTIN A AND [D(GACGTC)]2 AND COMPARISON WITH THE SOLUTION STRUCTURE OF THE [N-MECYS3, N-MECYS7]TANDEM-[D(GATATC)]2 COMPLEX
分子名称: 2-CARBOXYQUINOXALINE, DNA (5'-D(*GP*AP*CP*GP*TP*C)-3'), TRIOSTIN A
著者Addess, K.J, Feigon, J.
登録日1994-08-10
公開日1995-02-07
最終更新日2017-11-01
実験手法SOLUTION NMR
主引用文献Sequence Specificity of Quinoxaline Antibiotics. 1. Solution Structure of a 1:1 Complex between Triostin a and [D(Gacgtc)]2 and Comparison with the Solution Structure of the [N-Mecys3,N-Mecys7]Tandem-[D(Gatatc)]2 Complex.
Biochemistry, 33, 1994
2WY4
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Structure of bacterial globin from Campylobacter jejuni at 1.35 A resolution
分子名称: CYANIDE ION, PROTOPORPHYRIN IX CONTAINING FE, SINGLE DOMAIN HAEMOGLOBIN
著者Barynin, V.V, Sedelnikova, S.E, Shepherd, M, Wu, G, Poole, R.K, Rice, D.W.
登録日2009-11-11
公開日2010-02-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献The Single-Domain Globin from the Pathogenic Bacterium Campylobacter Jejuni: Novel D-Helix Conformation, Proximal Hydrogen Bonding that Influences Ligand Binding, and Peroxidase-Like Redox Properties.
J.Biol.Chem., 285, 2010

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