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6IG6
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BU of 6ig6 by Molmil
Crystal structure of lysozyme delivered in polyacrylamide using x-ray free electron laser
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION
著者Nam, K.H.
登録日2018-09-25
公開日2018-11-07
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Polyacrylamide injection matrix for serial femtosecond crystallography.
Sci Rep, 9, 2019
6IHH
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BU of 6ihh by Molmil
Crystal structure of RasADH F12 from Ralstonia.sp in complex with NADPH and A6O
分子名称: (2R,3S)-2-ethyl-2-[(2E)-2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]-3-oxidanyl-cyclopentan-1-one, Alclohol dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Zhang, H.L, Chen, X, Liu, W.D, Wu, Q.Q, Zhu, D.M.
登録日2018-09-30
公開日2019-10-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Efficient reductive desymmetrization of bulky 1,3-cyclodiketones enabled by structure-guided directed evolution of a carbonyl reductase.
Nat Catal, 2, 2019
5THJ
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BU of 5thj by Molmil
Crystal Structure of 2-hydroxycyclohepta-2,4,6-trien-1-one bound to human carbonic anhydrase 2
分子名称: 2-HYDROXYCYCLOHEPTA-2,4,6-TRIEN-1-ONE, CITRIC ACID, Carbonic anhydrase 2, ...
著者Dick, B, Cohen, S.
登録日2016-09-29
公開日2017-04-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Effect of donor atom identity on metal-binding pharmacophore coordination.
J. Biol. Inorg. Chem., 22, 2017
4MDP
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BU of 4mdp by Molmil
Crystal structure of a GH1 beta-glucosidase from the fungus Humicola insolens in complex with glucose
分子名称: Beta-glucosidase, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Giuseppe, P.O, Souza, T.A.C.B, Souza, F.H.M, Zanphorlin, L.M, Machado, C.B, Ward, R.J, Jorge, J.A, Furriel, R.P.M, Murakami, M.T.
登録日2013-08-23
公開日2014-06-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural basis for glucose tolerance in GH1 beta-glucosidases.
Acta Crystallogr.,Sect.D, 70, 2014
4ME5
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BU of 4me5 by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS V23S/V66A at cryogenic temperature
分子名称: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
著者Caro, J.A, Schlessman, J.L, Garcia-Moreno E, B.
登録日2013-08-25
公開日2013-10-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Cavities in proteins
To be Published
5T8O
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BU of 5t8o by Molmil
Crystal structure of murine NF-kappaB inducing kinase (NIK) bound to Imidazobenzoxepin Compound 3
分子名称: 10-(3-methyl-3-oxidanyl-but-1-ynyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION
著者Smith, M.A, McEwan, P, Hymowitz, S.G.
登録日2016-09-08
公開日2017-01-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Structure-Based Design of Tricyclic NF-kappa B Inducing Kinase (NIK) Inhibitors That Have High Selectivity over Phosphoinositide-3-kinase (PI3K).
J. Med. Chem., 60, 2017
4MEC
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BU of 4mec by Molmil
Crystal structure of RAT Heme oxygenase-1 in complex with ZN(II)-Protoporphyrin IX
分子名称: Heme oxygenase 1, PROTOPORPHYRIN IX CONTAINING ZN
著者Sugishima, M.
登録日2013-08-26
公開日2014-08-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Distal regulation of heme binding of heme oxygenase-1 mediated by conformational fluctuations
Biochemistry, 54, 2015
5LF3
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BU of 5lf3 by Molmil
Human 20S proteasome complex with Bortezomib at 2.1 Angstrom
分子名称: CHLORIDE ION, MAGNESIUM ION, N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE, ...
著者Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A.
登録日2016-06-30
公開日2016-08-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design.
Science, 353, 2016
5T99
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BU of 5t99 by Molmil
Crystal structure of BuGH2Awt in complex with Galactoisofagomine
分子名称: 1,2-ETHANEDIOL, D-galacto-isofagomine, Glycoside Hydrolase
著者Pluvinage, B, Boraston, A.B.
登録日2016-09-09
公開日2017-09-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular basis of an agarose metabolic pathway acquired by a human intestinal symbiont.
Nat Commun, 9, 2018
4MFK
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BU of 4mfk by Molmil
The crystal structure of acyltransferase in complex with decanoyl-CoA
分子名称: Putative uncharacterized protein tcp24, SULFATE ION, decanoyl-CoA
著者Lyu, S.Y, Liu, Y.C, Chang, C.Y, Huang, C.J, Li, T.L.
登録日2013-08-28
公開日2014-09-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Multiple complexes of long aliphatic N-acyltransferases lead to synthesis of 2,6-diacylated/2-acyl-substituted glycopeptide antibiotics, effectively killing vancomycin-resistant enterococcus
J.Am.Chem.Soc., 136, 2014
4MG2
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BU of 4mg2 by Molmil
ALKBH2 F102A cross-linked to undamaged dsDNA
分子名称: Alpha-ketoglutarate-dependent dioxygenase alkB homolog 2, DNA-1, DNA-2, ...
著者Chen, B, Gan, J, Yang, C.G.
登録日2013-08-28
公開日2014-02-26
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The complex structures of ALKBH2 mutants cross-linked to dsDNA reveal the conformational swing of β-hairpin
Sci China Chem, 57, 2014
1CQJ
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BU of 1cqj by Molmil
CRYSTAL STRUCTURE OF DEPHOSPHORYLATED E. COLI SUCCINYL-COA SYNTHETASE
分子名称: COENZYME A, PHOSPHATE ION, SUCCINYL-COA SYNTHETASE ALPHA CHAIN, ...
著者Joyce, M.A, Fraser, M.E, James, M.N.G, Bridger, W.A, Wolodko, W.T.
登録日1999-08-06
公開日2000-01-10
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献ADP-binding site of Escherichia coli succinyl-CoA synthetase revealed by x-ray crystallography.
Biochemistry, 39, 2000
5TJJ
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BU of 5tjj by Molmil
Crystal structure of IcIR transcriptional regulator from Alicyclobacillus acidocaldarius
分子名称: GLYCEROL, Transcriptional regulator, IclR family
著者Michalska, K, Mack, J.C, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2016-10-04
公開日2016-10-26
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of IcIR transcriptional regulator from Alicyclobacillus acidocaldarius
To Be Published
5TA5
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BU of 5ta5 by Molmil
Crystal structure of BuGH86wt in complex with neoagarooctaose
分子名称: 1,2-ETHANEDIOL, 3,6-anhydro-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose, CALCIUM ION, ...
著者Pluvinage, B, Boraston, A.B.
登録日2016-09-09
公開日2017-09-13
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Molecular basis of an agarose metabolic pathway acquired by a human intestinal symbiont.
Nat Commun, 9, 2018
4M74
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BU of 4m74 by Molmil
Mutant structure of methyltransferase from Streptomyces hygroscopicus
分子名称: (2R)-2-hydroxy-3-phenylpropanoic acid, (2S,3R)-2,3-dihydroxy-3-phenylpropanoic acid, CALCIUM ION, ...
著者Liu, Y.C, Zou, X.W, Chan, H.C, Huang, C.J, Li, T.L.
登録日2013-08-12
公開日2014-06-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure and mechanism of a nonhaem-iron SAM-dependent C-methyltransferase and its engineering to a hydratase and an O-methyltransferase
Acta Crystallogr.,Sect.D, 70, 2014
4M87
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BU of 4m87 by Molmil
Crystal Structure of Enoyl-Acyl Carrier Protein Reductase (FabI) from Neisseria meningitidis in complex with NAD+
分子名称: Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Nanson, J.D, Forwood, J.K.
登録日2013-08-13
公開日2013-10-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal Structure of Enoyl-Acyl Carrier Protein Reductase (FabI) from Neisseria meningitidis in complex with NAD+
TO BE PUBLISHED
5IXZ
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BU of 5ixz by Molmil
Crystal structure of the signaling protein complex 5
分子名称: Alr2278 protein, DIMETHYL SULFOXIDE, MALONATE ION, ...
著者Kumar, V, van den Akker, F.
登録日2016-03-23
公開日2017-11-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of the signaling protein complex 5
To Be Published
4M90
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BU of 4m90 by Molmil
crystal structure of oxidized hN33/Tusc3
分子名称: Tumor suppressor candidate 3
著者Mohorko, E, Owen, R.L, Malojcic, G, Brozzo, M.S, Aebi, M, Glockshuber, R.
登録日2013-08-14
公開日2014-03-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural basis of substrate specificity of human oligosaccharyl transferase subunit n33/tusc3 and its role in regulating protein N-glycosylation.
Structure, 22, 2014
5TB8
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BU of 5tb8 by Molmil
Precatalytic ternary complex of Human DNA Polymerase Beta in closed conformation With Gapped DNA substrate incoming (-)3TC-TP and Mn2+.
分子名称: 10- MER PRIMER, 16- MER TEMPLATE, 5-MER PHOSPHORYLATED DOWNSTREAM PRIME, ...
著者Vyas, R, Suo, Z.
登録日2016-09-11
公開日2017-01-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Insights into the Post-Chemistry Steps of Nucleotide Incorporation Catalyzed by a DNA Polymerase.
J. Am. Chem. Soc., 139, 2017
4LQG
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BU of 4lqg by Molmil
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a phosphoramidate inhibitor CTT1056
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Barinka, C, Skultetyova, L.
登録日2013-07-18
公開日2014-12-31
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Structure-Activity Relationship of (18)F-Labeled Phosphoramidate Peptidomimetic Prostate-Specific Membrane Antigen (PSMA)-Targeted Inhibitor Analogues for PET Imaging of Prostate Cancer.
J.Med.Chem., 59, 2016
1CXY
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BU of 1cxy by Molmil
STRUCTURE AND CHARACTERIZATION OF ECTOTHIORHODOSPIRA VACUOLATA CYTOCHROME B558, A PROKARYOTIC HOMOLOGUE OF CYTOCHROME B5
分子名称: CYTOCHROME B5, PROTOPORPHYRIN IX CONTAINING FE
著者Kostanjevecki, V, Leys, D, Van Driessche, G, Meyer, T.E, Cusanovich, M.A, Fischer, U, Guisez, Y, Van Beeumen, J.
登録日1999-08-31
公開日1999-09-10
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure and characterization of Ectothiorhodospira vacuolata cytochrome b(558), a prokaryotic homologue of cytochrome b(5).
J.Biol.Chem., 274, 1999
4MAV
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BU of 4mav by Molmil
Crystal structure of signaling protein SPB-40 complexed with 5-hydroxymethyl oxalanetriol at 2.80 A resolution
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase-3-like protein 1, GLYCEROL, ...
著者Yamini, S, Chaudhary, A, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
登録日2013-08-17
公開日2013-09-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Crystal structure of signaling protein SPB-40 complexed with 5-hydroxymethyl oxalanetriol at 2.80 A resolution
To be Published
4MB2
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BU of 4mb2 by Molmil
Crystal structure of TON1374 in complex with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Phosphopantothenate synthetase
著者Kim, M.-K, An, Y.J, Cha, S.-S.
登録日2013-08-19
公開日2014-08-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献The crystal structure of a novel phosphopantothenate synthetase from the hyperthermophilic archaea, Thermococcus onnurineus NA1
Biochem.Biophys.Res.Commun., 439, 2013
4LR7
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BU of 4lr7 by Molmil
Phosphopentomutase S154A variant
分子名称: GLYCEROL, MANGANESE (II) ION, Phosphopentomutase
著者Birmingham, W.A, Starbird, C.A, Panosian, T.D, Nannemann, D.P, Iverson, T.M, Bachmann, B.O.
登録日2013-07-19
公開日2013-07-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Bioretrosynthetic construction of a didanosine biosynthetic pathway.
Nat.Chem.Biol., 10, 2014
5LS9
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BU of 5ls9 by Molmil
Humanized Archaeal ferritin
分子名称: Ferritin, putative, MAGNESIUM ION
著者Baiocco, P, Trabuco, M.C, Boffi, A.
登録日2016-08-23
公開日2016-11-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献Humanized archaeal ferritin as a tool for cell targeted delivery.
Nanoscale, 9, 2017

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