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6SMG
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BU of 6smg by Molmil
Structure of Coxsackievirus A10
分子名称: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ...
著者Zhao, Y, Zhou, D, Ni, T, Karia, D, Kotecha, A, Wang, X, Rao, Z, Jones, E.Y, Fry, E.E, Ren, J, Stuart, D.I.
登録日2019-08-21
公開日2020-01-15
最終更新日2025-07-09
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Hand-foot-and-mouth disease virus receptor KREMEN1 binds the canyon of Coxsackie Virus A10.
Nat Commun, 11, 2020
3I6Z
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BU of 3i6z by Molmil
3D Structure of Torpedo californica acetylcholinesterase complexed with N-saccharinohexyl-galanthamine
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-{6-[(4aS,6R,8aS)-6-hydroxy-3-methoxy-5,6,9,10-tetrahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-11(12H)-yl]hexyl}-1 ,2-benzisothiazol-3(2H)-one 1,1-dioxide, ...
著者Lamba, D, Bartolucci, C.
登録日2009-07-07
公開日2010-01-12
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Probing Torpedo californica acetylcholinesterase catalytic gorge with two novel bis-functional galanthamine derivatives.
J.Med.Chem., 53, 2010
2XQB
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BU of 2xqb by Molmil
Crystal Structure of anti-IL-15 Antibody in Complex with human IL-15
分子名称: ANTI-IL-15 ANTIBODY, INTERLEUKIN 15, SULFATE ION
著者Lowe, D.C, Gerhardt, S, Ward, A, Hargreaves, D, Anderson, M, StGallay, S, Vousden, K, Ferraro, F, Pauptit, R.A, Cochrane, D, Pattison, D.V, Buchanan, C, Popovic, B, Finch, D.K, Wilkinson, T, Sleeman, M, Vaughan, T.J, Cruwys, S, Mallinder, P.R.
登録日2010-09-01
公開日2010-12-29
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Engineering a High Affinity Anti-Il-15 Antibody: Crystal Structure Reveals an Alpha-Helix in Vh Cdr3 as Key Component of Paratope.
J.Mol.Biol., 406, 2011
2FBW
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BU of 2fbw by Molmil
Avian respiratory complex II with carboxin bound
分子名称: (~{Z})-2-oxidanylbut-2-enedioic acid, 2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4-OXATHIINE-3-CARBOXAMIDE, AZIDE ION, ...
著者Huang, L.S, Sun, G, Cobessi, D, Wang, A.C, Shen, J.T, Tung, E.Y, Anderson, V.E, Berry, E.A.
登録日2005-12-10
公開日2005-12-20
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献3-nitropropionic acid is a suicide inhibitor of mitochondrial respiration that, upon oxidation by complex II, forms a covalent adduct with a catalytic base arginine in the active site of the enzyme.
J.Biol.Chem., 281, 2006
7BBD
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BU of 7bbd by Molmil
Crystal structure of monoubiquitinated TRIM21 RING (Ub-RING) In complex with ubiquitin charged Ube2N (Ube2N~Ub) and Ube2V2
分子名称: Polyubiquitin-B,E3 ubiquitin-protein ligase TRIM21, Polyubiquitin-C, Ubiquitin-conjugating enzyme E2 N, ...
著者Kiss, L, Neuhaus, D, James, L.C.
登録日2020-12-17
公開日2021-01-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献RING domains act as both substrate and enzyme in a catalytic arrangement to drive self-anchored ubiquitination.
Nat Commun, 12, 2021
7ZQ7
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BU of 7zq7 by Molmil
Structure of RpF-1
分子名称: Crotonase/enoyl-CoA hydratase family protein
著者Sanchez-Alba, L, Reverter, D, Conchillo, O, Yero, D, Daura, X, Gibert, I.
登録日2022-04-29
公開日2023-05-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure of RpF-1
To Be Published
3GGO
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BU of 3ggo by Molmil
Crystal structure of prephenate dehydrogenase from A. aeolicus with HPP and NADH
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 3-(4-HYDROXY-PHENYL)PYRUVIC ACID, Prephenate dehydrogenase
著者Sun, W, Shahinas, D, Christendat, D.
登録日2009-03-01
公開日2009-03-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The Crystal Structure of Aquifex aeolicus Prephenate Dehydrogenase Reveals the Mode of Tyrosine Inhibition.
J.Biol.Chem., 284, 2009
2C5B
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BU of 2c5b by Molmil
X-ray crystal structure of 5'-fluorodeoxyadenosine synthase from Streptomyces cattleya complexed with 2'deoxy-5'deoxy-fluoroadenosine.
分子名称: 5'-FLUORO-2',5'-DIDEOXYADENOSINE, 5'-FLUORO-5'-DEOXYADENOSINE SYNTHASE, METHIONINE
著者McEwan, A.R, Deng, H, McGlinchey, R.P, Robinson, D.A, O'Hagan, D, Naismith, J.H, Spencer, J.
登録日2005-10-26
公開日2007-02-20
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Substrate Specificity in Enzymatic Fluorination. The Fluorinase from Streptomyces Cattleya Accepts 2'-Deoxyadenosine Substrates.
Org.Biomol.Chem., 4, 2006
5ABY
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BU of 5aby by Molmil
Complex of C. elegans eIF4E-3 with the 4E-binding protein Mextli
分子名称: 4E-BINDING PROTEIN MEXTLI, EUKARYOTIC TRANSLATION INITIATION FACTOR 4E-3, GLYCEROL, ...
著者Peter, D, Weichenrieder, O.
登録日2015-08-09
公開日2015-09-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Mextli Proteins Use Both Canonical Bipartite and Novel Tripartite Binding Modes to Form Eif4E Complexes that Display Differential Sensitivity to 4E-BP Regulation
Genes Dev., 29, 2015
2BRZ
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BU of 2brz by Molmil
SOLUTION NMR STRUCTURE OF THE SWEET PROTEIN BRAZZEIN, MINIMIZED AVERAGE STRUCTURE
分子名称: BRAZZEIN
著者Caldwell, J.E, Abildgaard, F, Dzakula, Z, Ming, D, Hellekant, G, Markley, J.L.
登録日1998-04-30
公開日1998-07-01
最終更新日2024-11-20
実験手法SOLUTION NMR
主引用文献Solution structure of the thermostable sweet-tasting protein brazzein.
Nat.Struct.Biol., 5, 1998
2X8H
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BU of 2x8h by Molmil
Thioredoxin glutathione reductase from Schistosoma mansoni in complex with GSH
分子名称: BETA-MERCAPTOETHANOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Angelucci, F, Dimastrogiovanni, D, Boumis, G, Brunori, M, Miele, A.E, Saccoccia, F, Bellelli, A.
登録日2010-03-09
公開日2010-07-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Mapping the Catalytic Cycle of Schistosoma Mansoni Thioredoxin Glutathione Reductase by X-Ray Crystallography
J.Biol.Chem., 285, 2010
1ZM7
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BU of 1zm7 by Molmil
Crystal structure of D. melanogaster deoxyribonucleoside kinase mutant N64D in complex with dTTP
分子名称: Deoxynucleoside kinase, MAGNESIUM ION, THYMIDINE-5'-TRIPHOSPHATE
著者Welin, M, Skovgaard, T, Knecht, W, Berenstein, D, Munch-Petersen, B, Piskur, J, Eklund, H.
登録日2005-05-10
公開日2005-05-17
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for the changed substrate specificity of Drosophila melanogaster deoxyribonucleoside kinase mutant N64D.
Febs J., 272, 2005
2IQ7
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BU of 2iq7 by Molmil
Crystal structure of the polygalacturonase from Colletotrichum lupini and its implications for the interaction with polygalacturonase-inhibiting proteins
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, DI(HYDROXYETHYL)ETHER, ...
著者Bonivento, D, Federici, L, Matteo, A.D.
登録日2006-10-13
公開日2007-10-23
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Crystal structure of the endopolygalacturonase from the phytopathogenic fungus Colletotrichum lupini and its interaction with polygalacturonase-inhibiting proteins
Proteins, 70, 2008
3I6M
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BU of 3i6m by Molmil
3D Structure of Torpedo californica acetylcholinesterase complexed with N-piperidinopropyl-galanthamine
分子名称: (4aS,6R,8aS)-3-methoxy-11-(3-piperidin-1-ylpropyl)-5,6,9,10,11,12-hexahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-6-ol, 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Lamba, D, Bartolucci, C.
登録日2009-07-07
公開日2010-01-12
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Probing Torpedo californica acetylcholinesterase catalytic gorge with two novel bis-functional galanthamine derivatives.
J.Med.Chem., 53, 2010
1O6Z
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BU of 1o6z by Molmil
1.95 A resolution structure of (R207S,R292S) mutant of malate dehydrogenase from the halophilic archaeon Haloarcula marismortui (holo form)
分子名称: CHLORIDE ION, MALATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Irimia, A, Ebel, C, Madern, D, Richard, S.B, Cosenza, L.W, Zaccai, G, Vellieux, F.M.D.
登録日2002-10-22
公開日2003-02-06
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The Oligomeric States of Haloarcula Marismortui Malate Dehydrogenase are Modulated by Solvent Components as Shown by Crystallographic and Biochemical Studies
J.Mol.Biol., 326, 2003
2VTT
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BU of 2vtt by Molmil
Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
分子名称: 4-{[(2,6-difluorophenyl)carbonyl]amino}-N-[(3S)-piperidin-3-yl]-1H-pyrazole-3-carboxamide, CELL DIVISION PROTEIN KINASE 2
著者Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J.
登録日2008-05-15
公開日2008-08-05
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
6SNB
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BU of 6snb by Molmil
Structure of Coxsackievirus A10 A-particle
分子名称: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3
著者Zhao, Y, Zhou, D, Ni, T, Karia, D, Kotecha, A, Wang, X, Rao, Z, Jones, E.Y, Fry, E.E, Ren, J, Stuart, D.I.
登録日2019-08-23
公開日2020-01-15
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Hand-foot-and-mouth disease virus receptor KREMEN1 binds the canyon of Coxsackie Virus A10.
Nat Commun, 11, 2020
6DXK
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BU of 6dxk by Molmil
Glucocorticoid Receptor in complex with Compound 11
分子名称: (8S,11R,13S,14S,17S)-11-[4-(dimethylamino)phenyl]-17-(3,3-dimethylbut-1-yn-1-yl)-17-hydroxy-13-methyl-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one (non-preferred name), Glucocorticoid receptor
著者Rew, Y, Du, X, Eksterowicz, J, Zhou, H, Jahchan, N, Zhu, L, Yan, X, Kawai, H, McGee, L.R, Medina, J.C, Huang, T, Chen, C, Zavorotinskaya, T, Sutimantanapi, D, Waszczuk, J, Jackson, E, Huang, E, Ye, Q, Fantin, V.R, Daqing, S.
登録日2018-06-29
公開日2018-10-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Discovery of a Potent and Selective Steroidal Glucocorticoid Receptor Antagonist (ORIC-101).
J. Med. Chem., 61, 2018
7ND3
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BU of 7nd3 by Molmil
EM structure of SARS-CoV-2 Spike glycoprotein in complex with COVOX-40 Fab
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, COVOX-40 heavy chain, ...
著者Duyvesteyn, H.M.E, Zhao, Y, Ren, J, Stuart, D.
登録日2021-01-30
公開日2021-03-03
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献The antigenic anatomy of SARS-CoV-2 receptor binding domain.
Cell, 184, 2021
7ND4
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EM structure of SARS-CoV-2 Spike glycoprotein in complex with COVOX-88 Fab
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, COVOX-88 Fab heavy chain, ...
著者Duyvesteyn, H.M.E, Zhao, Y, Ren, J, Stuart, D.
登録日2021-01-30
公開日2021-03-03
最終更新日2025-07-09
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献The antigenic anatomy of SARS-CoV-2 receptor binding domain.
Cell, 184, 2021
7NDC
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EM structure of SARS-CoV-2 Spike glycoprotein (all RBD down) in complex with COVOX-159
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, COVOX-159 Fab light chain, ...
著者Duyvesteyn, H.M.E, Zhao, Y, Ren, J, Stuart, D.
登録日2021-01-30
公開日2021-03-03
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献The antigenic anatomy of SARS-CoV-2 receptor binding domain.
Cell, 184, 2021
7ND7
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EM structure of SARS-CoV-2 Spike glycoprotein in complex with COVOX-316 Fab
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Duyvesteyn, H.M.E, Zhao, Y, Ren, J, Stuart, D.
登録日2021-01-30
公開日2021-03-03
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献The antigenic anatomy of SARS-CoV-2 receptor binding domain.
Cell, 184, 2021
7ND9
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EM structure of SARS-CoV-2 Spike glycoprotein (one RBD up) in complex with COVOX-253H55L Fab
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Duyvesteyn, H.M.E, Zhao, Y, Ren, J, Stuart, D.
登録日2021-01-30
公開日2021-03-03
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献The antigenic anatomy of SARS-CoV-2 receptor binding domain.
Cell, 184, 2021
7NDA
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EM structure of SARS-CoV-2 Spike glycoprotein (all RBD down) in complex with COVOX-253H55L Fab
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Duyvesteyn, H.M.E, Zhao, Y, Ren, J, Stuart, D.
登録日2021-01-30
公開日2021-03-03
最終更新日2025-07-09
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献The antigenic anatomy of SARS-CoV-2 receptor binding domain.
Cell, 184, 2021
2VTH
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Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H-pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design
分子名称: 5-hydroxynaphthalene-1-sulfonamide, CELL DIVISION PROTEIN KINASE 2, GLYCEROL
著者Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J.
登録日2008-05-15
公開日2008-08-05
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008

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