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1XOE
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BU of 1xoe by Molmil
N9 Tern influenza neuraminidase complexed with (2R,4R,5R)-5-(1-Acetylamino-3-methyl-butyl-pyrrolidine-2, 4-dicarobyxylic acid 4-methyl esterdase complexed with
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-[1-(ACETYLAMINO)-3-METHYLBUTYL]-4-(METHOXYCARBONYL)PROLINE, Neuraminidase, ...
著者Wang, G.T, Wang, S, Gentles, R, Sowin, T, Maring, C.J, Kempf, D.J, Kati, W.M, Stoll, V, Stewart, K.D, Laver, G.
登録日2004-10-06
公開日2005-01-11
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Design, synthesis, and structural analysis of inhibitors of influenza neuraminidase containing a 2,3-disubstituted tetrahydrofuran-5-carboxylic acid core.
Bioorg.Med.Chem.Lett., 15, 2005
8ELF
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BU of 8elf by Molmil
Structure of Get3d, a homolog of Get3, from Arabidopsis thaliana
分子名称: 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ...
著者Manu, M.S, Barlow, A.N, Clemons Jr, W.M, Ramasamy, S.
登録日2022-09-23
公開日2023-05-03
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structures of Get3d reveal a distinct architecture associated with the emergence of photosynthesis.
J.Biol.Chem., 299, 2023
8EGK
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BU of 8egk by Molmil
Re-refinement of Crystal Structure of NosGet3d, the All4481 protein from Nostoc sp. PCC 7120
分子名称: AZIDE ION, All4481 protein
著者Barlow, A.N, Manu, M.S, Ramasamy, S, Clemons Jr, W.M.
登録日2022-09-12
公開日2023-05-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Structures of Get3d reveal a distinct architecture associated with the emergence of photosynthesis.
J.Biol.Chem., 299, 2023
2AX4
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BU of 2ax4 by Molmil
Crystal structure of the kinase domain of human 3'-phosphoadenosine 5'-phosphosulphate synthetase 2
分子名称: ADENOSINE-5'-DIPHOSPHATE, Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthetase 2
著者Rabeh, W.M, Nedyalkova, L, Ismail, S, Park, H, Arrowsmith, C, Edwards, A, Sundstrom, M, Weigelt, J, Bochkarev, A, Structural Genomics Consortium (SGC)
登録日2005-09-02
公開日2005-09-20
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of the kinase domain of PAPSS 2
To be Published
4B8D
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TENSEGRITY TRIANGLE FROM ENZYMATICALLY MANUFACTURED DNA
分子名称: 5'-D(*CP*CP*GP*TP*AP*CP*AP)-3', 5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*AP*CP*DGP *GP*AP*CP*AP*TP*CP*A)-3', 5'-D(*GP*GP*CP*TP*GP*CP)-3', ...
著者Ducani, C, Kaul, C.D, Moche, M, Shih, W.M, Hogberg, B.
登録日2012-08-26
公開日2013-06-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (4.79 Å)
主引用文献Enzymatic Production of 'Monoclonal Stoichiometric' Single-Stranded DNA Oligonucleotides
Nat.Methods, 10, 2013
4AQV
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BU of 4aqv by Molmil
Model of human kinesin-5 motor domain (3HQD) and mammalian tubulin heterodimer (1JFF) docked into the 9.7-angstrom cryo-EM map of microtubule-bound kinesin-5 motor domain in the AMPPPNP state.
分子名称: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, KINESIN-LIKE PROTEIN KIF11, ...
著者Goulet, A, Behnke-Parks, W.M, Sindelar, C.V, Rosenfeld, S.S, Moores, C.A.
登録日2012-04-19
公開日2012-11-21
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (9.7 Å)
主引用文献The Structural Basis of Force Generation by the Mitotic Motor Kinesin-5.
J.Biol.Chem., 287, 2012
4AQW
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BU of 4aqw by Molmil
Model of human kinesin-5 motor domain (1II6, 3HQD) and mammalian tubulin heterodimer (1JFF) docked into the 9.5-angstrom cryo-EM map of microtubule-bound kinesin-5 motor domain in the rigor state.
分子名称: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, KINESIN-LIKE PROTEIN KIF11, ...
著者Goulet, A, Behnke-Parks, W.M, Sindelar, C.V, Rosenfeld, S.S, Moores, C.A.
登録日2012-04-19
公開日2012-11-21
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (9.5 Å)
主引用文献The Structural Basis of Force Generation by the Mitotic Motor Kinesin-5.
J.Biol.Chem., 287, 2012
3ZBH
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BU of 3zbh by Molmil
Geobacillus thermodenitrificans EsxA crystal form I
分子名称: ACETATE ION, ESXA, PHOSPHATE ION
著者Ng, W.M, Zoltner, M, Palmer, T, Hunter, W.N.
登録日2012-11-09
公開日2012-11-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Crystal Structure of the Homodimeric Esat-6-Family Proteins Esxa and Esxb from Geobacillus Thermodenitrificans
To be Published
6VOC
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BU of 6voc by Molmil
icosahedral symmetry reconstruction of brome mosaic virus (RNA 3+4)
分子名称: Capsid protein
著者Beren, C, Cui, Y.X, Chakravarty, A, Yang, X, Rao, A.L.N, Knobler, C.M, Zhou, Z.H, Gelbart, W.M.
登録日2020-01-30
公開日2020-05-20
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Genome organization and interaction with capsid protein in a multipartite RNA virus.
Proc.Natl.Acad.Sci.USA, 117, 2020
7Q06
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BU of 7q06 by Molmil
Crystal structure of TPADO in complex with 2-OH-TPA
分子名称: 2-Hydroxyterephthalic acid, FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, ...
著者Zahn, M, Kincannon, W.M, DuBois, J.L, McGeehan, J.E.
登録日2021-10-14
公開日2022-03-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Biochemical and structural characterization of an aromatic ring-hydroxylating dioxygenase for terephthalic acid catabolism.
Proc.Natl.Acad.Sci.USA, 119, 2022
7Q05
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BU of 7q05 by Molmil
Crystal structure of TPADO in complex with TPA
分子名称: FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, Lysozyme, ...
著者Zahn, M, Kincannon, W.M, DuBois, J.L, McGeehan, J.E.
登録日2021-10-14
公開日2022-03-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Biochemical and structural characterization of an aromatic ring-hydroxylating dioxygenase for terephthalic acid catabolism.
Proc.Natl.Acad.Sci.USA, 119, 2022
7Q04
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BU of 7q04 by Molmil
Crystal structure of TPADO in a substrate-free state
分子名称: FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, Lysozyme, ...
著者Zahn, M, Kincannon, W.M, DuBois, J.L, McGeehan, J.E.
登録日2021-10-14
公開日2022-04-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.281 Å)
主引用文献Biochemical and structural characterization of an aromatic ring-hydroxylating dioxygenase for terephthalic acid catabolism.
Proc.Natl.Acad.Sci.USA, 119, 2022
4WWR
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BU of 4wwr by Molmil
Crystal Structure of Bag6-Ubl4A Dimerization Domain
分子名称: Large proline-rich protein BAG6, Ubiquitin-like protein 4A
著者Mock, J.Y, Chartron, J.W, Clemons Jr, W.M.
登録日2014-11-12
公開日2014-12-24
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Bag6 complex contains a minimal tail-anchor-targeting module and a mock BAG domain.
Proc.Natl.Acad.Sci.USA, 112, 2015
1BRV
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BU of 1brv by Molmil
SOLUTION NMR STRUCTURE OF THE IMMUNODOMINANT REGION OF PROTEIN G OF BOVINE RESPIRATORY SYNCYTIAL VIRUS, 48 STRUCTURES
分子名称: PROTEIN G
著者Doreleijers, J.F, Langedijk, J.P.M, Hard, K, Rullmann, J.A.C, Boelens, R, Schaaper, W.M, Van Oirschot, J.T, Kaptein, R.
登録日1996-03-29
公開日1997-06-05
最終更新日2017-11-29
実験手法SOLUTION NMR
主引用文献Solution structure of the immunodominant region of protein G of bovine respiratory syncytial virus.
Biochemistry, 35, 1996
1DAV
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BU of 1dav by Molmil
SOLUTION STRUCTURE OF THE TYPE I DOCKERIN DOMAIN FROM THE CLOSTRIDIUM THERMOCELLUM CELLULOSOME (20 STRUCTURES)
分子名称: CALCIUM ION, ENDOGLUCANASE SS
著者Lytle, B.L, Volkman, B.F, Westler, W.M, Heckman, M.P, Wu, J.H.D.
登録日1999-10-31
公開日2001-04-04
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of a type I dockerin domain, a novel prokaryotic, extracellular calcium-binding domain.
J.Mol.Biol., 307, 2001
1DAQ
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BU of 1daq by Molmil
SOLUTION STRUCTURE OF THE TYPE I DOCKERIN DOMAIN FROM THE CLOSTRIDIUM THERMOCELLUM CELLULOSOME (MINIMIZED AVERAGE STRUCTURE)
分子名称: CALCIUM ION, ENDOGLUCANASE SS
著者Lytle, B.L, Volkman, B.F, Westler, W.M, Heckman, M.P, Wu, J.H.D.
登録日1999-10-31
公開日2001-04-04
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of a type I dockerin domain, a novel prokaryotic, extracellular calcium-binding domain.
J.Mol.Biol., 307, 2001
2V6E
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BU of 2v6e by Molmil
protelomerase TelK complexed with substrate DNA
分子名称: PROTELEMORASE, TELRL, VANADATE ION
著者Aihara, H, Huang, W.M, Ellenberger, T.
登録日2007-07-17
公開日2007-10-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献An Interlocked Dimer of the Protelomerase Telk Distorts DNA Structure for the Formation of Hairpin Telomeres
Mol.Cell, 27, 2007
3QSB
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BU of 3qsb by Molmil
Structure of E. coli polIIIbeta with (Z)-5-(1-((4'-Fluorobiphenyl-4-yl)methoxyimino)butyl)-2,2-dimethyl-4,6-dioxocyclohexanecarbonitrile
分子名称: (1R,5R)-5-{(1Z)-N-[(4'-fluorobiphenyl-4-yl)methoxy]butanimidoyl}-2,2-dimethyl-4,6-dioxocyclohexanecarbonitrile, DNA polymerase III subunit beta
著者Wijffels, G, Johnson, W.M, Oakley, A.J, Turner, K, Epa, V.C, Briscoe, S.J, Polley, M, Liepa, A.J, Hofmann, A, Buchardt, J, Christensen, C, Prosselkov, P, Dalrymple, B.P, Alewood, P.F, Jennings, P.A, Dixon, N.E, Winkler, D.A.
登録日2011-02-20
公開日2011-06-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Binding inhibitors of the bacterial sliding clamp by design
J.Med.Chem., 54, 2011
1QD7
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BU of 1qd7 by Molmil
PARTIAL MODEL FOR 30S RIBOSOMAL SUBUNIT
分子名称: CENTRAL FRAGMENT OF 16 S RNA, END FRAGMENT OF 16 S RNA, S15 RIBOSOMAL PROTEIN, ...
著者Clemons Jr, W.M, May, J.L.C, Wimberly, B.T, McCutcheon, J.P, Capel, M.S, Ramakrishnan, V.
登録日1999-07-09
公開日1999-08-31
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (5.5 Å)
主引用文献Structure of a bacterial 30S ribosomal subunit at 5.5 A resolution.
Nature, 400, 1999
1OMU
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BU of 1omu by Molmil
SOLUTION STRUCTURE OF OVOMUCOID (THIRD DOMAIN) FROM DOMESTIC TURKEY (298K, PH 4.1) (NMR, 50 STRUCTURES) (REFINED MODEL USING NETWORK EDITING ANALYSIS)
分子名称: OVOMUCOID (THIRD DOMAIN)
著者Hoogstraten, C.G, Choe, S, Westler, W.M, Markley, J.L.
登録日1995-10-11
公開日1996-03-08
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献Comparison of the accuracy of protein solution structures derived from conventional and network-edited NOESY data.
Protein Sci., 4, 1995
6KJ0
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BU of 6kj0 by Molmil
Bifunctional xylosidase/glucosidase LXYL mutant E529Q C2221
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-D-xylosidase/beta-D-glucosidase, Deacetyltaxol, ...
著者Gong, W.M, Yang, L.Y.
登録日2019-07-20
公開日2020-02-26
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Structures of beta-glycosidase LXYL-P1-2 reveals the product binding state of GH3 family and a specific pocket for Taxol recognition.
Commun Biol, 3, 2020
2XCN
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BU of 2xcn by Molmil
Crystal structure of HCV NS3 protease with a boronate inhibitor
分子名称: MAGNESIUM ION, N-[(CYCLOPENTYLOXY)CARBONYL]-3-METHYL-L-VALYL-(4R)-N-{(1R)-3-HYDROXY-1-[HYDROXY(OXIDO)BORANYL]PROPYL}-4-(ISOQUINOLIN-1-YLOXY)-L-PROLINAMIDE, NS3 PROTEASE, ...
著者Li, X, Zhang, Y.-K, Liu, Y, Ding, C.Z, Li, Q, Zhou, Y, Plattner, J.J, Baker, S.J, Qian, X, Fan, D, Liao, L, Ni, Z.-J, White, G.V, Mordaunt, J.E, Lazarides, L.X, Slater, M.J, Jarvest, R.L, Thommes, P, Ellis, M, Edge, C.M, Hubbard, J.A, Nassau, P, McDowell, B, Skarzynski, T.J, Rowland, P, Somers, D.O, Kazmierski, W.M, Grimes, R.M, Wright, L.L, Smith, G.K, Zou, W, Wright, J, Pennicott, L.E.
登録日2010-04-23
公開日2010-06-02
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3.02 Å)
主引用文献Synthesis and Evaluation of Novel Alpha-Amino Cyclic Boronates as Inhibitors of Hcv Ns3 Protease.
Bioorg.Med.Chem.Lett., 20, 2010
2XCF
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Crystal structure of HCV NS3 protease with a boronate inhibitor
分子名称: CYCLOPENTYL N-[(2S)-1-[(2S,4R)-2-[[(4R)-8-HYDROXY-1,6,10-TRIOXA-5$L^{4}-BORASPIRO[4.5]DECAN-4-YL]CARBAMOYL]-4-ISOQUINOLIN-1-YLOXY-PYRROLIDIN-1-YL]-3,3-DIMETHYL-1-OXO-BUTAN-2-YL]CARBAMATE, MAGNESIUM ION, NS3 PROTEASE, ...
著者Li, X, Zhang, Y.-K, Liu, Y, Ding, C.Z, Li, Q, Zhou, Y, Plattner, J.J, Baker, S.J, Qian, X, Fan, D, Liao, L, Ni, Z.-J, White, G.V, Mordaunt, J.E, Lazarides, L.X, Slater, M.J, Jarvest, R.L, Thommes, P, Ellis, M, Edge, C.M, Hubbard, J.A, Nassau, P, McDowell, B, Skarzynski, T.J, Rowland, P, Somers, D.O, Kazmierski, W.M, Grimes, R.M, Wright, L.L, Smith, G.K, Zou, W, Wright, J, Pennicott, L.E.
登録日2010-04-22
公開日2010-06-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Synthesis and Evaluation of Novel Alpha-Amino Cyclic Boronates as Inhibitors of Hcv Ns3 Protease.
Bioorg.Med.Chem.Lett., 20, 2010
2XNI
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Protein-ligand complex of a novel macrocyclic HCV NS3 protease inhibitor derived from amino cyclic boronates
分子名称: (1-{[(10-tert-butyl-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19,23,23a-tetradecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosin-7(3H)-yl)carbonyl]amino}-3-hydroxypropyl)(trihydroxy)borate(1-), MAGNESIUM ION, NS3 PROTEASE, ...
著者Li, X, Zhang, Y.-K, Liu, Y, Ding, C.Z, Zhou, Y, Li, Q, Plattner, J.J, Baker, S.J, Zhang, S, Kazmierski, W.M, Wright, L.L, Smith, G.K, Grimes, R.M, Crosby, R.M, Creech, K.L, Carballo, L.H, Slater, M.J, Jarvest, R.L, Thommes, P, Hubbard, J.A, Convery, M.A, Nassau, P.M, McDowell, W, Skarzynski, T.J, Qian, X, Fan, D, Liao, L, Ni, Z.-J, Pennicott, L.E, Zou, W, Wright, J.
登録日2010-08-02
公開日2011-08-17
最終更新日2012-09-26
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Novel Macrocyclic Hcv Ns3 Protease Inhibitors Derived from Alpha-Amino Cyclic Boronates.
Bioorg.Med.Chem.Lett., 20, 2010
2VLE
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The structure of daidzin, a naturally occurring anti alcohol- addiction agent, in complex with human mitochondrial aldehyde dehydrogenase
分子名称: ALDEHYDE DEHYDROGENASE, MITOCHONDRIAL, DAIDZIN
著者Lowe, E.D, Gao, G.Y, Johnson, L.N, Keung, W.M.
登録日2008-01-13
公開日2008-08-19
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 Daidzin, a Naturally Occurring Anti-Alcohol-Addiction Agent, in Complex with Human Mitochondrial Aldehyde Dehydrogenase.
J.Med.Chem., 51, 2008

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