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2BVD
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BU of 2bvd by Molmil
HOW FAMILY 26 GLYCOSIDE HYDROLASES ORCHESTRATE CATALYSIS ON DIFFERENT POLYSACCHARIDES. STRUCTURE AND ACTIVITY OF A CLOSTRIDIUM THERMOCELLUM LICHENASE, CtLIC26A
分子名称: (3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)piperidin-3-yl beta-D-glucopyranoside, ENDOGLUCANASE H
著者Taylor, E.J, Goyal, A, Guerreiro, C.I.P.D, Prates, J.A.M, Money, V.A, Ferry, N, Morland, C, Planas, A, Macdonald, J.A, Stick, R.V, Gilbert, H.J, Fontes, C.M.G.A, Davies, G.J.
登録日2005-06-27
公開日2005-06-30
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献How Family 26 Glycoside Hydrolases Orchestrate Catalysis on Different Polysaccharides: Structure and Activity of a Clostridium Thermocellum Lichenase, Ctlic26A.
J.Biol.Chem., 280, 2005
4I1M
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BU of 4i1m by Molmil
Crystal structure of the Legionella pneumophila GAP domain of LepB
分子名称: DI(HYDROXYETHYL)ETHER, LepB
著者Streller, A, Gazdag, E.M, Vetter, I.R, Goody, R.S, Itzen, A.
登録日2012-11-21
公開日2013-01-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.804 Å)
主引用文献Mechanism of Rab1b deactivation by the Legionella pneumophila GAP LepB.
Embo Rep., 14, 2013
3J05
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BU of 3j05 by Molmil
Three-dimensional structure of Dengue virus serotype 1 complexed with HMAb 14c10 Fab
分子名称: envelope protein
著者Teoh, E.P, Kukkaro, P, Teo, E.W, Lim, A, Tan, T.T, Shi, P.Y, Yip, A, Schul, W, Leo, Y.S, Chan, S.H, Smith, K.G.C, Ooi, E.E, Kemeny, D.M, Ng, G, Ng, M.L, Alonso, S, Fisher, D, Hanson, B, Lok, S.M, MacAry, P.A.
登録日2011-04-01
公開日2012-07-04
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (7 Å)
主引用文献The structural basis for serotype-specific neutralization of dengue virus by a human antibody.
Sci Transl Med, 4, 2012
3QTV
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BU of 3qtv by Molmil
Thrombin Inhibition by Pyridin Derivatives
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(1-methylpyridinium-4-yl)methyl]-L-prolinamide, GLYCEROL, ...
著者Biela, A, Heine, A, Klebe, G.
登録日2011-02-23
公開日2012-02-29
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin
J.Mol.Biol., 418, 2012
6THW
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BU of 6thw by Molmil
IRAK4 in complex with inhibitor
分子名称: 7-fluoranyl-4-(1-methylcyclopropyl)oxy-~{N}-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-6-(2-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine, Interleukin-1 receptor-associated kinase 4
著者Xue, Y, Aagaard, A, Degorce, S.L.
登録日2019-11-21
公開日2020-10-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Improving metabolic stability and removing aldehyde oxidase liability in a 5-azaquinazoline series of IRAK4 inhibitors.
Bioorg.Med.Chem., 28, 2020
3QOC
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BU of 3qoc by Molmil
Crystal structure of N-terminal domain (Creatinase/Prolidase like domain) of putative metallopeptidase from Corynebacterium diphtheriae
分子名称: CHLORIDE ION, Putative metallopeptidase, SULFATE ION
著者Nocek, B, Stein, A, Marshall, N, Putagunta, R, Feldmann, B, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2011-02-09
公開日2011-03-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structure of N-terminal domain (Creatinase/Prolidase like domain) of putative metallopeptidase from Corynebacterium diphtheriae
TO BE PUBLISHED
2OBY
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BU of 2oby by Molmil
Crystal structure of Human P53 inducible oxidoreductase (TP53I3,PIG3)
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative quinone oxidoreductase
著者Porte, S, Valencia, E, Farres, J, Fita, I, Pike, A.C.W, Shafqat, N, Debreczeni, J, Johansson, C, Haroniti, A, Gileadi, O, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, von Delft, F, Oppermann, U, Pares, X.
登録日2006-12-20
公開日2007-01-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure of human P53 inducible oxidoreductase (TP53I3, PIG3)
To be Published
2BUD
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BU of 2bud by Molmil
The solution structure of the chromo barrel domain from the males- absent on the first (MOF) protein
分子名称: MALES-ABSENT ON THE FIRST PROTEIN
著者Nielsen, P.R, Nietlispach, D, Buscaino, A, Warner, R.J, Akhtar, A, Murzin, A.G, Murzina, N.V, Laue, E.D.
登録日2005-06-09
公開日2005-06-24
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure of the Chromo Barrel Domain from the Mof Acetyltransferase
J.Biol.Chem., 280, 2005
3QWC
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BU of 3qwc by Molmil
Thrombin Inhibition by Pyridin Derivatives
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(4-chloro-1-methylpyridinium-3-yl)methyl]-L-prolinamide, GLYCEROL, ...
著者Biela, A, Heine, A, Klebe, G.
登録日2011-02-28
公開日2012-03-14
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin
J.Mol.Biol., 418, 2012
6TLR
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BU of 6tlr by Molmil
HUMAN CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 4,7-DIBROMOBENZOTRIAZOLE
分子名称: 4,7-bis(bromanyl)-1~{H}-benzotriazole, CHLORIDE ION, Casein kinase II subunit alpha, ...
著者Czapinska, H, Piasecka, A, Winiewska-Szajewska, M, Bochtler, M, Poznanski, J.
登録日2019-12-03
公開日2020-12-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Halogen Atoms in the Protein-Ligand System. Structural and Thermodynamic Studies of the Binding of Bromobenzotriazoles by the Catalytic Subunit of Human Protein Kinase CK2.
J.Phys.Chem.B, 125, 2021
3QS1
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BU of 3qs1 by Molmil
Crystal structure of KNI-10006 complex of Plasmepsin I (PMI) from Plasmodium falciparum
分子名称: (4R)-3-[(2S,3S)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, GLYCEROL, Plasmepsin-1
著者Bhaumik, P, Gustchina, A, Wlodawer, A.
登録日2011-02-19
公開日2011-05-11
最終更新日2012-12-12
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Crystal structures of the free and inhibited forms of plasmepsin I (PMI) from Plasmodium falciparum.
J.Struct.Biol., 175, 2011
3QXX
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BU of 3qxx by Molmil
Crystal structure of dethiobiotin synthetase (BioD) from Helicobacter pylori complexed with GDP and 8-aminocaprylic acid
分子名称: 1,2-ETHANEDIOL, 8-aminooctanoic acid, Dethiobiotin synthetase, ...
著者Porebski, P.J, Klimecka, M.M, Chruszcz, M, Murzyn, K, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
登録日2011-03-02
公開日2011-03-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Structural characterization of Helicobacter pylori dethiobiotin synthetase reveals differences between family members.
Febs J., 279, 2012
3B2J
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BU of 3b2j by Molmil
Iodide derivative of human LFABP
分子名称: Fatty acid-binding protein, liver, IODIDE ION, ...
著者Sharma, A, Yogavel, M, Sharma, A.
登録日2011-08-03
公開日2012-06-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Utility of anion and cation combinations for phasing of protein structures.
J.Struct.Funct.Genom., 13, 2012
6RH0
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BU of 6rh0 by Molmil
Revisiting pH-gated conformational switch. Complex HK853-RR468 pH 5.5
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Response regulator, ...
著者Mideros-Mora, C, Casino, P, Marina, A.
登録日2019-04-18
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.87 Å)
主引用文献Revisiting the pH-gated conformational switch on the activities of HisKA-family histidine kinases.
Nat Commun, 11, 2020
1XXQ
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Structure of a mannose-specific jacalin-related lectin from Morus nigra
分子名称: ACETIC ACID, GLYCEROL, SULFATE ION, ...
著者Rabijns, A, Barre, A, Van Damme, E.J.M, Peumans, W.J, De Ranter, C.J, Rouge, P.
登録日2004-11-08
公開日2005-10-25
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural analysis of the jacalin-related lectin MornigaM from the black mulberry (Morus nigra) in complex with mannose
Febs J., 272, 2005
3UR7
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BU of 3ur7 by Molmil
Higher-density crystal structure of potato endo-1,3-beta-glucanase
分子名称: Glucan endo-1,3-beta-D-glucosidase, SODIUM ION
著者Wojtkowiak, A, Witek, K, Hennig, J, Jaskolski, M.
登録日2011-11-21
公開日2012-05-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Two high-resolution structures of potato endo-1,3-beta-glucanase reveal subdomain flexibility with implications for substrate binding
Acta Crystallogr.,Sect.D, 68, 2012
6S2T
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BU of 6s2t by Molmil
Structure of the N-terminal catalytic region of T. thermophilus Rel bound to ppGpp
分子名称: (P)ppGpp synthetase I, SpoT/RelA, CHLORIDE ION, ...
著者Garcia-Pino, A.
登録日2019-06-22
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献A nucleotide-switch mechanism mediates opposing catalytic activities of Rel enzymes.
Nat.Chem.Biol., 16, 2020
1XBD
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BU of 1xbd by Molmil
INTERNAL XYLAN BINDING DOMAIN FROM CELLULOMONAS FIMI XYLANASE D, NMR, 5 STRUCTURES
分子名称: XYLANASE D
著者Simpson, P.J, Bolam, D.N, Cooper, A, Ciruela, A, Hazlewood, G.P, Gilbert, H.J, Williamson, M.P.
登録日1998-10-16
公開日1999-07-21
最終更新日2022-03-02
実験手法SOLUTION NMR
主引用文献A family IIb xylan-binding domain has a similar secondary structure to a homologous family IIa cellulose-binding domain but different ligand specificity.
Structure Fold.Des., 7, 1999
2C9Y
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BU of 2c9y by Molmil
Structure of human adenylate kinase 2
分子名称: 1,2-ETHANEDIOL, ADENYLATE KINASE ISOENZYME 2, MITOCHONDRIAL, ...
著者Bunkoczi, G, Filippakopoulos, P, Debreczeni, J.E, Turnbull, A, Papagrigoriou, E, Savitsky, P, Colebrook, S, von Delft, F, Arrowsmith, C, Edwards, A, Sundstrom, M, Weigelt, J, Knapp, S.
登録日2005-12-15
公開日2006-01-04
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of Human Adenylate Kinase 2
To be Published
2NYU
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Crystal Structure of Human FtsJ homolog 2 (E.coli) protein in complex with S-adenosylmethionine
分子名称: Putative ribosomal RNA methyltransferase 2, S-ADENOSYLMETHIONINE
著者Dong, A, Wu, H, Zeng, H, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
登録日2006-11-21
公開日2006-12-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献The Crystal Structure of Human FtsJ homolog 2 (E.coli) protein in complex with AdoMet
To be Published
2O5C
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BU of 2o5c by Molmil
Structure of E. coli topoisomerase III in complex with an 8-base single stranded oligonucleotide. Frozen in glucose pH 5.5
分子名称: 5'-D(*CP*GP*CP*AP*AP*CP*TP*T)-3', CHLORIDE ION, DNA topoisomerase 3, ...
著者Changela, A, DiGate, R.J, Mondragon, A.
登録日2006-12-05
公開日2007-04-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural Studies of E. coli Topoisomerase III-DNA Complexes Reveal a Novel Type IA Topoisomerase-DNA Conformational Intermediate.
J.Mol.Biol., 368, 2007
1ZE8
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Carbonic anhydrase II in complex with a membrane-impermeant sulfonamide inhibitor
分子名称: 1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}-2,4,6-TRIMETHYLPYRIDINIUM, 4-(HYDROXYMERCURY)BENZOIC ACID, Carbonic anhydrase II, ...
著者Menchise, V, De Simone, G, Alterio, V, Di Fiore, A, Pedone, C, Scozzafava, A, Supuran, C.T.
登録日2005-04-18
公開日2005-10-18
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Carbonic anhydrase inhibitors: stacking with Phe131 determines active site binding region of inhibitors as exemplified by the X-ray crystal structure of a membrane-impermeant antitumor sulfonamide complexed with isozyme II
J.Med.Chem., 48, 2005
1ZLP
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BU of 1zlp by Molmil
Petal death protein PSR132 with cysteine-linked glutaraldehyde forming a thiohemiacetal adduct
分子名称: 5-HYDROXYPENTANAL, MAGNESIUM ION, petal death protein
著者Teplyakov, A, Liu, S, Lu, Z, Howard, A, Dunaway-Mariano, D, Herzberg, O.
登録日2005-05-08
公開日2006-01-03
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal Structure of the Petal Death Protein from Carnation Flower.
Biochemistry, 44, 2005
4H4R
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BU of 4h4r by Molmil
Crystal Structure of Ferredoxin reductase, BphA4 E175C/Q177G mutant (oxidized form)
分子名称: Biphenyl dioxygenase ferredoxin reductase subunit, FLAVIN-ADENINE DINUCLEOTIDE, FORMIC ACID, ...
著者Nishizawa, A, Harada, A, Senda, M, Tachihara, Y, Muramatsu, D, Kishigami, S, Mori, S, Sugiyama, K, Senda, T, Kimura, S.
登録日2012-09-18
公開日2013-10-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Random Mutagenesis with the Project Assessment for Complete Conversion of Co-Factor Specificity of a Ferredoxin Reductase BphA4
To be Published
4HDI
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Crystal Structure of 3E5 IgG3 FAB from mus musculus
分子名称: Ig heavy chain V region RF, Ig gamma-3 chain C region, Kappa light chain variable region, ...
著者Janda, A, Eryilmaz, E, Kim, J, Cordero, R.J.B, Cowburn, D, Casadevall, A.
登録日2012-10-02
公開日2013-04-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.449 Å)
主引用文献Global structures of IgG isotypes expressing identical variable regions.
Mol.Immunol., 56, 2013

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