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6PV7
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BU of 6pv7 by Molmil
Human alpha3beta4 nicotinic acetylcholine receptor in complex with nicotine
分子名称: (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, 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Gharpure, A, Teng, J, Zhuang, Y, Noviello, C.M, Walsh, R.M, Cabuco, R, Howard, R.J, Zaveri, N.T, Lindahl, E, Hibbs, R.E.
登録日2019-07-19
公開日2019-09-11
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.34 Å)
主引用文献Agonist Selectivity and Ion Permeation in the alpha 3 beta 4 Ganglionic Nicotinic Receptor.
Neuron, 104, 2019
6Z1H
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BU of 6z1h by Molmil
Ancestral glycosidase (family 1)
分子名称: ANCESTRAL RECONSTRUCTED GLYCOSIDASE, GLYCEROL, ISOPROPYL ALCOHOL, ...
著者Gavira, J.A, Risso, V.A, Sanchez-Ruiz, J.M, Gamiz-Arco, G, Gutierrez-Rus, L, Ibarra-Molero, B, Hoshino, Y, Petrovic, D, Romero-Rivera, A, Seelig, B, Kamerlin, S.C.L, Gaucher, E.A.
登録日2020-05-13
公開日2020-07-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Heme-binding enables allosteric modulation in an ancient TIM-barrel glycosidase.
Nat Commun, 12, 2021
6FRJ
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BU of 6frj by Molmil
Crystal structure of scFv-SM3 in complex with APD-SeThrGalNAc-RP
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, APD-SeThr-RP, ...
著者Companon, I, Castro-Lopez, J, Escudero-Casao, M, Avenoza, A, Busto, J.H, Castillon, S, Jimenez-Barbero, J, Bernardes, G.J, Boutureira, O, Jimenez-Oses, G, Asensio, J.L, Peregrina, J.M, Hurtado-Guerrero, R, Corzana, F.
登録日2018-02-16
公開日2019-02-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure-Based Design of Potent Tumor-Associated Antigens: Modulation of Peptide Presentation by Single-Atom O/S or O/Se Substitutions at the Glycosidic Linkage.
J. Am. Chem. Soc., 141, 2019
6PSG
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BU of 6psg by Molmil
Crystal Structure of Class D Beta-lactamase OXA-48 with Faropenem
分子名称: (2R,5R)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-5-[(2R)-tetrahydrofuran-2-yl]-2,5-dihydro-1,3-thiazole-4-carboxylic acid, CHLORIDE ION, Class D Carbapenemase OXA-48, ...
著者Akhtar, A, Chen, Y.
登録日2019-07-12
公開日2020-01-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Structural Basis for Substrate Specificity and Carbapenemase Activity of OXA-48 Class D beta-Lactamase.
Acs Infect Dis., 6, 2020
2JEO
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BU of 2jeo by Molmil
Crystal structure of human uridine-cytidine kinase 1
分子名称: URIDINE-CYTIDINE KINASE 1
著者Kosinska, U, Stenmark, P, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Edwards, A, Ericsson, U.B, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg Schiavone, L, Hogbom, M, Johansson, I, Karlberg, T, Kotenyova, T, Moche, M, Nilsson, M.E.P, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Sundstrom, M, Uppenberg, J, Uppsten, M, Thorsell, A.G, van den Berg, S, Weigelt, J, Welin, M, Nordlund, P, Structural Genomics Consortium (SGC)
登録日2007-01-18
公開日2007-01-30
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of Human Uridine-Cytidine Kinase 1
To be Published
7FA0
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BU of 7fa0 by Molmil
The crystal structure of VyPAL2-C214A, a dead mutant of VyPAL2 peptide asparaginyl ligase in form II
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, Peptide Asparaginyl Ligases, ...
著者Hu, S, Sahili, A, Lescar, J.
登録日2021-07-05
公開日2022-07-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for proenzyme maturation, substrate recognition, and ligation by a hyperactive peptide asparaginyl ligase.
Plant Cell, 34, 2022
6PYZ
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BU of 6pyz by Molmil
Crystal Structure of human Tryptophan 2,3-dioxygenase in complex with PF-06840003 in Active Site
分子名称: (3S)-3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione, PROTOPORPHYRIN IX CONTAINING FE, Tryptophan 2,3-dioxygenase, ...
著者Pham, K.N, Lewis-Ballester, A, Yeh, S.R.
登録日2019-07-31
公開日2020-01-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Structural Basis of Inhibitor Selectivity in Human Indoleamine 2,3-Dioxygenase 1 and Tryptophan Dioxygenase.
J.Am.Chem.Soc., 141, 2019
6G5L
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BU of 6g5l by Molmil
Crystal structure of human carbonic anhydrase isozyme XII with 4-chloro-2-(cyclohexylamino)-N-(2-hydroxyethyl)-5-sulfamoyl-benzamide
分子名称: 1,2-ETHANEDIOL, 4-chloranyl-2-(cyclohexylamino)-~{N}-(2-hydroxyethyl)-5-sulfamoyl-benzamide, Carbonic anhydrase 12, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2018-03-29
公開日2019-03-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Design of two-tail compounds with rotationally fixed benzenesulfonamide ring as inhibitors of carbonic anhydrases.
Eur J Med Chem, 156, 2018
6G5Y
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BU of 6g5y by Molmil
The X-ray structure of the adduct formed in the reaction between lysozyme and a platinum(II) terpyridine compound (acid pH)
分子名称: DIMETHYL SULFOXIDE, Lysozyme C, NITRATE ION, ...
著者Merlino, A, Ferraro, G.
登録日2018-03-30
公開日2018-06-27
最終更新日2018-07-11
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献A case of extensive protein platination: the reaction of lysozyme with a Pt(ii)-terpyridine complex.
Dalton Trans, 47, 2018
1YZ1
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BU of 1yz1 by Molmil
Crystal structure of human translationally controlled tumour associated protein
分子名称: Translationally controlled tumor protein
著者Cavarelli, J, Moras, D, Amson, R, Telerman, A.
登録日2005-02-26
公開日2006-05-16
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献TCTP protects from apoptotic cell death by antagonizing bax function
Cell Death Differ., 15, 2008
6PY3
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BU of 6py3 by Molmil
Crystal structure of ligand-binding domain of Pseudomonas fluorescens chemoreceptor CtaA in complex with L-isoleucine
分子名称: ISOLEUCINE, Putative methyl-accepting chemotaxis protein
著者Ud-Din, I.A, Khan, M.F, Roujeinikova, A.
登録日2019-07-28
公開日2020-03-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Broad Specificity of Amino Acid Chemoreceptor CtaA ofPseudomonas fluorescensIs Afforded by Plasticity of Its Amphipathic Ligand-Binding Pocket.
Mol.Plant Microbe Interact., 33, 2020
2JFK
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BU of 2jfk by Molmil
Structure of the MAT domain of human FAS with malonyl-CoA
分子名称: COENZYME A, FATTY ACID SYNTHASE
著者Bunkoczi, G, Kavanagh, K, Hozjan, V, Rojkova, A, Watt, S, Wu, X, Arrowsmith, C.H, Edwards, A, Sundstrom, M, Weigelt, J, Smith, S, Oppermann, U.
登録日2007-02-02
公開日2007-03-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of the MAT Domain of Human Fas with Malonyl-Coa
To be Published
3FUC
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BU of 3fuc by Molmil
Recombinant calf purine nucleoside phosphorylase in a binary complex with multisubstrate analogue inhibitor 9-(5',5'-difluoro-5'-phosphonopentyl)-9-deazaguanine structure in a new space group with one full trimer in the asymmetric unit
分子名称: AZIDE ION, MAGNESIUM ION, Purine nucleoside phosphorylase, ...
著者Bochtler, M, Breer, K, Bzowska, A, Chojnowski, G, Hashimoto, M, Hikishima, S, Narczyk, M, Wielgus-Kutrowska, B, Yokomatsu, T.
登録日2009-01-14
公開日2009-12-08
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献1.45 A resolution crystal structure of recombinant PNP in complex with a pM multisubstrate analogue inhibitor bearing one feature of the postulated transition state.
Biochem.Biophys.Res.Commun., 391, 2010
6PTU
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BU of 6ptu by Molmil
Crystal Structure of Class D Beta-lactamase OXA-48 with Imipenem
分子名称: CHLORIDE ION, Class D Carbapenemase OXA-48, Imipenem
著者Akhtar, A, Chen, Y.
登録日2019-07-16
公開日2020-01-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.004 Å)
主引用文献Structural Basis for Substrate Specificity and Carbapenemase Activity of OXA-48 Class D beta-Lactamase.
Acs Infect Dis., 6, 2020
2JI4
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BU of 2ji4 by Molmil
Human phosphoribosylpyrophosphate synthetase - associated protein 41 (PAP41)
分子名称: CHLORIDE ION, PHOSPHORIBOSYL PYROPHOSPHATE SYNTHETASE-ASSOCIATED PROTEIN 2
著者Moche, M, Lehtio, L, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Dahlgren, L.G, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg-Schiavone, L, Johansson, I, Karlberg, T, Kotenyova, T, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Nordlund, P.
登録日2007-02-26
公開日2007-03-06
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Human Phosphoribosylpyrophosphate Synthetase -Associated Protein 41 (Pap41)
To be Published
3FW7
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BU of 3fw7 by Molmil
Structure of berberine bridge enzyme, H104A variant
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ...
著者Winkler, A, Macheroux, P, Gruber, K.
登録日2009-01-17
公開日2009-05-19
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.825 Å)
主引用文献Structural roles of biocovalent flaninylation in berberine bridge enzyme
to be published
6PU3
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BU of 6pu3 by Molmil
ABC transporter-associated periplasmic binding protein DppA from Helicobacter pylori
分子名称: Heme-binding protein A, SER-THR-SER-ALA
著者Rahman, M.M, Machuca, M.A, Khan, M.F, Barlow, C.K, Schittenhelm, R.B, Roujeinikova, A.
登録日2019-07-16
公開日2019-08-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Molecular Basis of Unexpected Specificity of ABC Transporter-Associated Substrate-Binding Protein DppA from Helicobacter pylori.
J.Bacteriol., 201, 2019
6Q7K
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BU of 6q7k by Molmil
ERK2 mini-fragment binding
分子名称: 1H-imidazol-2-amine, Mitogen-activated protein kinase 1, SULFATE ION
著者O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H.
登録日2018-12-13
公開日2019-03-27
最終更新日2019-05-22
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
6Q85
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BU of 6q85 by Molmil
Structure of Fucosylated D-antimicrobial peptide SB11 in complex with the Fucose-binding lectin PA-IIL at 1.990 Angstrom resolution
分子名称: 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, AMINO GROUP, CALCIUM ION, ...
著者Baeriswyl, S, Stocker, A, Reymond, J.-L.
登録日2018-12-14
公開日2019-03-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献X-ray Crystal Structures of Short Antimicrobial Peptides as Pseudomonas aeruginosa Lectin B Complexes.
Acs Chem.Biol., 14, 2019
1B3T
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BU of 1b3t by Molmil
EBNA-1 NUCLEAR PROTEIN/DNA COMPLEX
分子名称: DNA (5'-D(*GP*GP*GP*AP*AP*GP*CP*AP*TP*AP*TP*GP*CP*TP*TP*CP*CP*C)-3'), PROTEIN (NUCLEAR PROTEIN EBNA1)
著者Bochkarev, A, Bochkareva, E, Edwards, A, Frappier, L.
登録日1998-12-14
公開日1998-12-15
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The 2.2 A structure of a permanganate-sensitive DNA site bound by the Epstein-Barr virus origin binding protein, EBNA1.
J.Mol.Biol., 284, 1998
6PXY
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BU of 6pxy by Molmil
Crystal structure of ligand-binding domain of Pseudomonas fluorescens chemoreceptor CtaA in complex with L-alanine
分子名称: ALANINE, Putative methyl-accepting chemotaxis protein
著者Ud-Din, I.A, Khan, M.F, Roujeinikova, A.
登録日2019-07-28
公開日2020-03-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Broad Specificity of Amino Acid Chemoreceptor CtaA ofPseudomonas fluorescensIs Afforded by Plasticity of Its Amphipathic Ligand-Binding Pocket.
Mol.Plant Microbe Interact., 33, 2020
6PYY
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BU of 6pyy by Molmil
Crystal Structure of human Tryptophan 2,3-dioxygenase in complex with PF-06840003 in Active Site and Exo site
分子名称: (3S)-3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione, PROTOPORPHYRIN IX CONTAINING FE, Tryptophan 2,3-dioxygenase
著者Pham, K.N, Lewis-Ballester, A, Yeh, S.R.
登録日2019-07-31
公開日2020-01-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Basis of Inhibitor Selectivity in Human Indoleamine 2,3-Dioxygenase 1 and Tryptophan Dioxygenase.
J.Am.Chem.Soc., 141, 2019
2BZI
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BU of 2bzi by Molmil
CRYSTAL STRUCTURE OF THE HUMAN PIM1 IN COMPLEX WITH A RUTHENIUM ORGANOMETALLIC LIGAND RU2
分子名称: PROTO-ONCOGENE SERINE THREONINE PROTEIN KINASE PIM1, RU-PYRIDOCARBAZOLE-2
著者Debreczeni, J.E, Bullock, A, Knapp, S, von Delft, F, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A.
登録日2005-08-18
公開日2005-12-08
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of the Human Pim1 in Complex with Ruthenium Organometallic Ligands
To be Published
4JEB
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BU of 4jeb by Molmil
Crystal structure of an engineered RIDC1 tetramer with four interfacial disulfide bonds and four three-coordinate Zn(II) sites
分子名称: PROTOPORPHYRIN IX CONTAINING FE, ZINC ION, soluble cytochrome b562
著者Tezcan, F.A, Medina-Morales, A.M, Perez, A, Brodin, J.D.
登録日2013-02-26
公開日2013-08-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献In Vitro and Cellular Self-Assembly of a Zn-Binding Protein Cryptand via Templated Disulfide Bonds.
J.Am.Chem.Soc., 135, 2013
1JMX
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BU of 1jmx by Molmil
crystal structure of a quinohemoprotein amine dehydrogenase from pseudomonas putida
分子名称: Amine Dehydrogenase, HEME C, NICKEL (II) ION
著者Satoh, A, Miyahara, I, Hirotsu, K.
登録日2001-07-20
公開日2002-01-16
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of quinohemoprotein amine dehydrogenase from Pseudomonas putida. Identification of a novel quinone cofactor encaged by multiple thioether cross-bridges.
J.Biol.Chem., 277, 2002

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