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5KTS
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BU of 5kts by Molmil
Crystal structure of Pyrococcus horikoshii quinolinate synthase (NadA) with bound citraconate and Fe4S4 cluster
分子名称: (~{Z})-2-methylbut-2-enedioic acid, AMMONIUM ION, CHLORIDE ION, ...
著者Fenwick, M.K, Ealick, S.E.
登録日2016-07-12
公開日2016-07-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Crystal Structures of the Iron-Sulfur Cluster-Dependent Quinolinate Synthase in Complex with Dihydroxyacetone Phosphate, Iminoaspartate Analogues, and Quinolinate.
Biochemistry, 55, 2016
3E6O
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BU of 3e6o by Molmil
Structure of murine INOS oxygenase domain with inhibitor AR-C124355
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, N-[2-(4-AMINO-5,8-DIFLUORO-1,2-DIHYDROQUINAZOLIN-2-YL)ETHYL]-3-FURAMIDE, Nitric oxide synthase, ...
著者Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stueh, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D.
登録日2008-08-15
公開日2008-10-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
3EMB
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BU of 3emb by Molmil
Wesselsbron virus Methyltransferase in complex with AdoMet and 7MeGpppG
分子名称: 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE, Methyltransferase, S-ADENOSYLMETHIONINE, ...
著者Bollati, M, Ricagno, S, Milani, M, Mastrangelo, E, Bolognesi, M.
登録日2008-09-24
公開日2008-11-18
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Recognition of RNA Cap in the Wesselsbron Virus NS5 Methyltransferase Domain: Implications for RNA-Capping Mechanisms in Flavivirus
J.Mol.Biol., 385, 2009
5KUA
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BU of 5kua by Molmil
Cryo-EM reconstruction of Neisseria meningitidis Type IV pilus
分子名称: pilin
著者Kolappan, S, Coureuil, M, Yu, X, Nassif, X, Craig, L, Egelman, E.H.
登録日2016-07-13
公開日2016-10-12
最終更新日2016-11-30
実験手法ELECTRON MICROSCOPY (6 Å)
主引用文献Structure of the Neisseria meningitidis Type IV pilus.
Nat Commun, 7, 2016
5DX5
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BU of 5dx5 by Molmil
Crystal structure of methionine gamma-lyase from Clostridium sporogenes
分子名称: CHLORIDE ION, Methionine gamma-lyase, PYRIDOXAL-5'-PHOSPHATE, ...
著者Revtovich, S.V, Nikulin, A.D, Morozova, E.A, Anufrieva, N.V, Demidkina, T.V.
登録日2015-09-23
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Structure of methionine gamma-lyase from Clostridium sporogenes.
Acta Crystallogr.,Sect.F, 72, 2016
5KWW
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BU of 5kww by Molmil
Crystal Structure of Inhibitor JNJ-53718678 In Complex with Prefusion RSV F Glycoprotein
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[[5-chloranyl-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1-[2,2,2-tris(fluoranyl)ethyl]imidazo[4,5-c]pyridin-2-one, ...
著者McLellan, J.S, Battles, M.B, Arnoult, E, Roymans, D, Langedijk, J.P.
登録日2016-07-19
公開日2017-08-02
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Therapeutic efficacy of a respiratory syncytial virus fusion inhibitor.
Nat Commun, 8, 2017
5DXR
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BU of 5dxr by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-{[(3R)-3-methylcyclohexylidene]methanediyl}diphenol
分子名称: 4,4'-{[(3R)-3-methylcyclohexylidene]methanediyl}diphenol, Estrogen receptor, Nuclear receptor coactivator 2
著者Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
登録日2015-09-23
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
1P6M
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BU of 1p6m by Molmil
Bovine endothelial NOS heme domain with (4S)-N-(4-amino-5-[aminoethyl]aminopentyl)-N'-nitroguanidine bound
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, CACODYLATE ION, ...
著者Flinspach, M.L, Li, H, Jamal, J, Yang, W, Huang, H, Hah, J.-M, Gomez-Vidal, J.A, Litzinger, E.A, Silverman, R.B, Poulos, T.L.
登録日2003-04-29
公開日2004-01-13
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Structural basis for dipeptide amide isoform-selective inhibition of neuronal nitric oxide synthase.
Nat.Struct.Mol.Biol., 11, 2004
5DYB
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BU of 5dyb by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-(3,4-dihydronaphthalen-2(1H)-ylidenemethanediyl)diphenol
分子名称: 4,4'-(3,4-dihydronaphthalen-2(1H)-ylidenemethanediyl)diphenol, Estrogen receptor, Nuclear receptor coactivator 2
著者Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
登録日2015-09-24
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
2ITF
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BU of 2itf by Molmil
Crystal structure IsdA NEAT domain from Staphylococcus aureus with heme bound
分子名称: Iron-regulated surface determinant protein A, PROTOPORPHYRIN IX CONTAINING FE
著者Grigg, J.C, Vermeiren, C.L, Heinrichs, D.E, Murphy, M.E.
登録日2006-10-19
公開日2006-12-26
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Haem recognition by a Staphylococcus aureus NEAT domain.
Mol.Microbiol., 63, 2007
1RZZ
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BU of 1rzz by Molmil
PHOTOSYNTHETIC REACTION CENTER DOUBLE MUTANT FROM RHODOBACTER SPHAEROIDES WITH ASP L213 REPLACED WITH ASN AND ARG M233 REPLACED WITH CYS IN THE CHARGE-NEUTRAL DQAQB STATE (TETRAGONAL FORM)
分子名称: BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, FE (II) ION, ...
著者Xu, Q, Axelrod, H.L, Abresch, E.C, Paddock, M.L, Okamura, M.Y, Feher, G.
登録日2003-12-29
公開日2004-04-13
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献X-Ray Structure Determination of Three Mutants of the Bacterial Photosynthetic Reaction Centers from Rb. sphaeroides; Altered Proton Transfer Pathways.
STRUCTURE, 12, 2004
1EG9
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BU of 1eg9 by Molmil
NAPHTHALENE 1,2-DIOXYGENASE WITH INDOLE BOUND IN THE ACTIVE SITE.
分子名称: FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, INDOLE, ...
著者Carredano, E, Karlsson, A, Kauppi, B, Choudhury, D, Parales, R.E, Parales, J.V, Lee, K, Gibson, D.T, Eklund, H, Ramaswamy, S.
登録日2000-02-15
公開日2000-05-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Substrate binding site of naphthalene 1,2-dioxygenase: functional implications of indole binding.
J.Mol.Biol., 296, 2000
2DM9
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BU of 2dm9 by Molmil
Crystal Structure of PH1978 from Pyrococcus horikoshii OT3
分子名称: V-type ATP synthase subunit E
著者Lokanath, N.K, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2006-04-20
公開日2007-01-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal Structure of PH1978 from Pyrococcus horikoshii OT3
To be Published
4CYI
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BU of 4cyi by Molmil
Chaetomium thermophilum Pan3
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PAB-DEPENDENT POLY(A)-SPECIFIC RIBONUCLEASE SUBUNIT PAN3-LIKE PROTEIN, ...
著者Wolf, J, Valkov, E, Allen, M.D, Meineke, B, Gordiyenko, Y, McLaughlin, S.H, Olsen, T.M, Robinson, C.V, Bycroft, M, Stewart, M, Passmore, L.A.
登録日2014-04-11
公開日2014-06-11
最終更新日2018-04-25
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Structural Basis for Pan3 Binding to Pan2 and its Function in Mrna Recruitment and Deadenylation
Embo J., 33, 2014
1OTU
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BU of 1otu by Molmil
Structure of the Escherichia coli ClC Chloride channel E148Q mutant and Fab Complex
分子名称: CHLORIDE ION, Fab fragment (Heavy chain), Fab fragment (Light chain), ...
著者Dutzler, R, Campbell, E.B, MacKinnon, R.
登録日2003-03-23
公開日2003-04-15
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Gating the Selectivity Filter in ClC Chloride Channels
Science, 300, 2003
7KD3
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BU of 7kd3 by Molmil
Structure of an HxlR/DUF24 family transcription regulator, CdTR_3200 from hypervirulent Clostridioides difficile R20291
分子名称: Putative transcriptional regulator
著者Menon, S.K, Isom, C.E, Karr, E.A.
登録日2020-10-07
公開日2021-09-15
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of an HxlR/DUF24 family transcription regulator, CdTR_3200 from hypervirulent Clostridioides difficile R20291
To Be Published
2ZBJ
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BU of 2zbj by Molmil
Crystal structure of Dioclea rostrata lectin
分子名称: CALCIUM ION, Lectin alpha chain, MANGANESE (II) ION, ...
著者de Oliveira, T.M, Delatorre, P, da Rocha, B.A.M, de Sousa, E.P, Nascimento, K.S, Bezerra, G.A, Moura, T.R, Benevides, R.G, Bezerra, E.H.S, Moreno, F.B.M.B, Freire, V.N, de Azevedo Jr, W.F, Cavada, B.S.
登録日2007-10-22
公開日2008-08-19
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structure of Dioclea rostrata lectin: Insights into understanding the pH-dependent dimer-tetramer equilibrium and the structural basis for carbohydrate recognition in Diocleinae lectins
J.Struct.Biol., 164, 2008
5KO8
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BU of 5ko8 by Molmil
Crystal structure of haliscomenobacter hydrossis iodotyrosine deiodinase (IYD) bound to FMN and mono-iodotyrosine (I-Tyr)
分子名称: 3-IODO-TYROSINE, FLAVIN MONONUCLEOTIDE, Nitroreductase
著者Ingavat, N, Kavran, J.M, Sun, Z, Rokita, S.E.
登録日2016-06-29
公開日2017-02-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Active Site Binding Is Not Sufficient for Reductive Deiodination by Iodotyrosine Deiodinase.
Biochemistry, 56, 2017
3HNK
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BU of 3hnk by Molmil
Crystal structure of the dimeric assembly of the cyt cb562 variant RIDC-1
分子名称: PROTOPORPHYRIN IX CONTAINING FE, Soluble cytochrome b562
著者Salgado, E.N, Lewis, R.A, Brodin, J, Tezcan, F.A.
登録日2009-05-31
公開日2010-02-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Metal templated design of protein interfaces.
Proc.Natl.Acad.Sci.USA, 107, 2010
5XXJ
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BU of 5xxj by Molmil
Crystal structure of SmyD3 in complex with covalent inhibitor 3
分子名称: S-ADENOSYLMETHIONINE, SMYD3, ZINC ION, ...
著者Baburajendran, N, Jansson, A.E.
登録日2017-07-04
公開日2018-08-08
実験手法X-RAY DIFFRACTION (1.689 Å)
主引用文献Crystal structure of SmyD3 in complex with covalent inhibitor 3
To Be Published
4HST
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BU of 4hst by Molmil
Crystal structure of a double mutant of a class III engineered cephalosporin acylase
分子名称: 5,5-dihydroxy-L-norvaline, glutaryl-7-aminocephalosporanic acid acylase alpha chain, glutaryl-7-aminocephalosporanic acid acylase beta chain
著者Vrielink, A, Golden, E, Patterson, R, Tie, W.J, Anandan, A, Flematti, G, Molla, G, Rosini, E, Pollegioni, L.
登録日2012-10-30
公開日2013-02-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.571 Å)
主引用文献Structure of a class III engineered cephalosporin acylase: comparisons with class I acylase and implications for differences in substrate specificity and catalytic activity.
Biochem.J., 451, 2013
5DOS
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BU of 5dos by Molmil
Aurora A Kinase in Complex with AA35 and ATP in Space Group P6122
分子名称: 2-(3-bromophenyl)-8-fluoroquinoline-4-carboxylic acid, ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, ...
著者Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R.
登録日2015-09-11
公開日2016-07-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2.
Sci Rep, 6, 2016
5EDK
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BU of 5edk by Molmil
Crystal structure of prothrombin deletion mutant residues 146-167 ( 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, MAGNESIUM ION, ...
著者Pozzi, N, Chen, Z, Di Cera, E.
登録日2015-10-21
公開日2016-01-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.214 Å)
主引用文献How the Linker Connecting the Two Kringles Influences Activation and Conformational Plasticity of Prothrombin.
J.Biol.Chem., 291, 2016
4CVN
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BU of 4cvn by Molmil
Structure of the Fap7-Rps14 complex
分子名称: 30S RIBOSOMAL PROTEIN S11, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Loch, J, Blaud, M, Rety, S, Lebaron, S, Deschamps, P, Bareille, J, Jombart, J, Robert-Paganin, J, Delbos, L, Chardon, F, Zhang, E, Charenton, C, Tollervey, D, Leulliot, N.
登録日2014-03-28
公開日2014-05-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.121 Å)
主引用文献RNA Mimicry by the Fap7 Adenylate Kinase in Ribosome Biogenesis
Plos Biol., 12, 2014
5L7V
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BU of 5l7v by Molmil
Crystal Structure of BvGH123 with bond transition state analog Galthiazoline.
分子名称: (3aR,5R,6R,7R,7aR)-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol, glycoside hydrolase
著者Roth, C, Petricevic, M, John, A, Goddard-Borger, E.D, Davies, G.J, Williams, S.J.
登録日2016-06-03
公開日2017-03-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and mechanistic insights into a Bacteroides vulgatus retaining N-acetyl-beta-galactosaminidase that uses neighbouring group participation.
Chem. Commun. (Camb.), 52, 2016

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