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4AIZ
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Crystallographic structure of 3mJL2 from the germinal line lambda 3
分子名称: 1,5:6,10-dianhydro-3,4,7,8-tetradeoxy-2,9-bis-C-(hydroxymethyl)-L-manno-decitol, CITRIC ACID, SULFATE ION, ...
著者Villalba, M.I, Luna, O.D, Rudino-Pinera, E, Sanchez, R, Sanchez-Lopez, R, Rojas-Trejo, S, Olamendi-Portugal, T, Fernandez-Velasco, D.A, Becerril, B.
登録日2012-02-15
公開日2013-03-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Site-Directed Mutagenesis Reveals Regions Implicated in the Stability and Fiber Formation of Human Lambda3R Light Chains.
J.Biol.Chem., 290, 2015
4NQE
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BU of 4nqe by Molmil
Crystal structure of TCR-MR1 ternary complex bound to 5-(2-oxoethylideneamino)-6-D-ribitylaminouracil
分子名称: 1-deoxy-1-({2,6-dioxo-5-[(E)-(2-oxoethylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, Major histocompatibility complex class I-related gene protein, ...
著者Birkinshaw, R.W, Rossjohn, J.
登録日2013-11-25
公開日2014-04-16
最終更新日2020-02-19
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献T-cell activation by transitory neo-antigens derived from distinct microbial pathways.
Nature, 509, 2014
4B5B
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BU of 4b5b by Molmil
Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor
分子名称: CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, N-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N,3-dimethylbenzenesulfonamide
著者Alphey, M.S, Pirrie, L, Torrie, L.S, Gardiner, M, Westwood, N.J, Gray, D, Naismith, J.H.
登録日2012-08-03
公開日2012-10-31
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.055 Å)
主引用文献Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa.
ACS Chem. Biol., 8, 2013
4B4G
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BU of 4b4g by Molmil
Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ...
著者Alphey, M.S, Pirrie, L, Torrie, L.S, Gardiner, M, Westwood, N.J, Gray, D, Naismith, J.H.
登録日2012-07-30
公開日2012-10-31
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa.
ACS Chem. Biol., 8, 2013
4ARW
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BU of 4arw by Molmil
Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ...
著者Alphey, M.S, Pirrie, L, Torrie, L.S, Gardiner, M, Westwood, N.J, Gray, D, Naismith, J.H.
登録日2012-04-26
公開日2012-10-31
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.204 Å)
主引用文献Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa.
ACS Chem. Biol., 8, 2013
4NH1
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BU of 4nh1 by Molmil
Crystal structure of a heterotetrameric CK2 holoenzyme complex carrying the Andante-mutation in CK2beta and consistent with proposed models of autoinhibition and trans-autophosphorylation
分子名称: Casein kinase II subunit alpha, Casein kinase II subunit beta, GLYCEROL, ...
著者Schnitzler, A, Issinger, O.-G, Niefind, K.
登録日2013-11-04
公開日2014-03-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献The Protein Kinase CK2(Andante) Holoenzyme Structure Supports Proposed Models of Autoregulation and Trans-Autophosphorylation
J.Mol.Biol., 426, 2014
8DT1
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BU of 8dt1 by Molmil
Crystal Structure of a Putative D-beta-hydroxybutyrate dehydrogenase from Burkholderia cenocepacia J2315 in complex with NAD
分子名称: 3-hydroxybutyrate dehydrogenase, CITRIC ACID, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2022-07-25
公開日2022-08-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of a Putative D-beta-hydroxybutyrate dehydrogenase from Burkholderia cenocepacia J2315 in complex with NAD
To Be Published
3HNI
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BU of 3hni by Molmil
Crystal structure of the Zn-induced tetramer of the engineered cyt cb562 variant RIDC-1
分子名称: PROTOPORPHYRIN IX CONTAINING FE, Soluble cytochrome b562, ZINC ION
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2023-09-06
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Metal templated design of protein interfaces.
Proc.Natl.Acad.Sci.USA, 107, 2010
5KWD
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BU of 5kwd by Molmil
Computationally Designed Symmetric Homotetramer
分子名称: Ankyrin repeat-containing protein
著者Fallas, J.A, Sankaran, B, Zwart, P, Baker, D.
登録日2016-07-17
公開日2017-04-12
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Computational design of self-assembling cyclic protein homo-oligomers.
Nat Chem, 9, 2017
4FS3
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BU of 4fs3 by Molmil
Crystal structure of Staphylococcus aureus enoyl-ACP reductase in complex with NADP and AFN-1252
分子名称: Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI, N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)propanamide, [[(2R,3S,4R,5R)-5-(3-aminocarbonyl-4H-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate
著者Kaplan, N, Yethon, J, Bardouniotis, E, Thalakada, R, Albert, M, Awrey, D.E, Romanov, V, Dorsey, M, Ramnauth, J, Clarke, T.E, Schmid, M.B, Berman, J, Pauls, H.W.
登録日2012-06-26
公開日2012-09-19
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Mode of Action, In Vitro Activity, and In Vivo Efficacy of AFN-1252, a Selective Antistaphylococcal FabI Inhibitor.
Antimicrob.Agents Chemother., 56, 2012
8EBN
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BU of 8ebn by Molmil
Structure of KLHDC2-EloB/C tetrameric assembly
分子名称: Elongin-B, Elongin-C, Kelch domain-containing protein 2
著者Scott, D.C, Schulman, B.A.
登録日2022-08-31
公開日2023-02-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献E3 ligase autoinhibition by C-degron mimicry maintains C-degron substrate fidelity.
Mol.Cell, 83, 2023
4P74
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BU of 4p74 by Molmil
PheRS in complex with compound 3a
分子名称: N-[(3S)-1,1-dioxidotetrahydrothiophen-3-yl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit
著者Ferguson, A.D.
登録日2014-03-25
公開日2014-06-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability.
J.Biol.Chem., 289, 2014
6U5O
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BU of 6u5o by Molmil
Structure of the Human Metapneumovirus Polymerase bound to the phosphoprotein tetramer
分子名称: Phosphoprotein, RNA-directed RNA polymerase L
著者Pan, J, Qian, X, Lattmann, S, Sahili, A.E, Yeo, T.H, Kalocsay, M, Fearns, R, Lescar, J.
登録日2019-08-28
公開日2019-09-25
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structure of the human metapneumovirus polymerase phosphoprotein complex.
Nature, 577, 2020
4G3M
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BU of 4g3m by Molmil
Complex Structure of Bacillus subtilis RibG: The Deamination Process in Riboflavin Biosynthesis
分子名称: N-(5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-5-O-phosphono-beta-D-ribofuranosylamine, Riboflavin biosynthesis protein RibD, ZINC ION, ...
著者Chen, S.C, Shen, C.Y, Yen, T.M, Yu, H.C, Chang, T.H, Lai, W.L, Liaw, S.H.
登録日2012-07-15
公開日2013-02-20
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Evolution of vitamin B(2) biosynthesis: eubacterial RibG and fungal Rib2 deaminases.
Acta Crystallogr.,Sect.D, 69, 2013
3HNJ
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BU of 3hnj by Molmil
Crystal structure of the Zn-induced tetramer of the engineered cyt cb562 variant RIDC-2
分子名称: PROTOPORPHYRIN IX CONTAINING FE, Soluble cytochrome b562, ZINC ION
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2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Metal templated design of protein interfaces.
Proc.Natl.Acad.Sci.USA, 107, 2010
8DV3
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BU of 8dv3 by Molmil
Crystal structure of human CD1b presenting Phosphatidylinositol C34:1
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOINOSITOL, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Farquhar, R, Rossjohn, J, Shahine, A.
登録日2022-07-28
公開日2023-04-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献alpha beta T-cell receptor recognition of self-phosphatidylinositol presented by CD1b.
J.Biol.Chem., 299, 2023
8DV4
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BU of 8dv4 by Molmil
Crystal structure of the BC8B TCR-CD1b-PI complex
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOINOSITOL, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Farquhar, R, Rossjohn, J, Shahine, A.
登録日2022-07-28
公開日2023-04-19
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献alpha beta T-cell receptor recognition of self-phosphatidylinositol presented by CD1b.
J.Biol.Chem., 299, 2023
4DL1
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Crystal Structure of human Myeloperoxidase with covalent thioxanthine analog
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[(2R)-2-ethoxypropyl]-2-thioxo-1,2,3,9-tetrahydro-6H-purin-6-one, CALCIUM ION, ...
著者Vajdos, F, Varghese, A.
登録日2012-02-05
公開日2012-03-21
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Deconstruction of activity-dependent covalent modification of heme in human neutrophil myeloperoxidase by multistage mass spectrometry (MS(4)).
Biochemistry, 51, 2012
2Z8F
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BU of 2z8f by Molmil
The galacto-N-biose-/lacto-N-biose I-binding protein (GL-BP) of the ABC transporter from Bifidobacterium longum in complex with lacto-N-tetraose
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Galacto-N-biose/lacto-N-biose I transporter substrate-binding protein, SODIUM ION, ...
著者Suzuki, R, Wada, J, Katayama, T, Fushinobu, S.
登録日2007-09-05
公開日2008-03-18
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural and thermodynamic analyses of solute-binding Protein from Bifidobacterium longum specific for core 1 disaccharide and lacto-N-biose I.
J.Biol.Chem., 283, 2008
2Z2P
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BU of 2z2p by Molmil
Crystal Structure of catalytically inactive H270A virginiamycin B lyase from Staphylococcus aureus with Quinupristin
分子名称: 5-(2-DIETHYLAMINO-ETHANESULFONYL)-21-HYDROXY-10-ISOPROPYL-11,19-DIMETHYL-9,26-DIOXA-3,15,28-TRIAZA-TRICYCLO[23.2.1.00,255]OCTACOSA-1(27),12,17,19,25(28)-PENTAENE-2,8,14,23-TETRAONE, MAGNESIUM ION, Quinupristin, ...
著者Korczynska, M, Berghuis, A.M.
登録日2007-05-25
公開日2007-06-19
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural Basis for Streptogramin B Resistance in Staphylococcus Aureus by Virginiamycin B Lyase
Proc.Natl.Acad.Sci.USA, 104, 2007
2ZJ0
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Crystal structure of Mycobacterium tuberculosis S-Adenosyl-L-homocysteine hydrolase in ternary complex with NAD and 2-fluoroadenosine
分子名称: 2-(6-AMINO-2-FLUORO-PURIN-9-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, Adenosylhomocysteinase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Reddy, M.C.M, Gokulan, K, Shetty, N.D, Owen, J.L, Ioerger, T.R, Sacchettini, J.C.
登録日2008-02-29
公開日2008-09-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Crystal structures of Mycobacterium tuberculosis S-adenosyl-L-homocysteine hydrolase in ternary complex with substrate and inhibitors.
Protein Sci., 17, 2008
4BNW
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Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with an unknown ligand at 1. 6A resolution
分子名称: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG, DI(HYDROXYETHYL)ETHER, TETRAETHYLENE GLYCOL, ...
著者Cukier, C.D, Schnell, R, Lindqvist, Y, Schneider, G.
登録日2013-05-17
公開日2013-09-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa
Acs Chem.Biol., 8, 2013
4ASY
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BU of 4asy by Molmil
Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ...
著者Alphey, M.S, Pirrie, L, Torrie, L.S, Gardiner, M, Sarkar, A, Brenk, R, Westwood, N.J, Gray, D, Naismith, J.H.
登録日2012-05-03
公開日2012-10-31
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa.
ACS Chem. Biol., 8, 2013
5Y52
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Crystal Structure of Highly Active BTUO Mutant P287G Improved by Humidity Control at 83% RH
分子名称: 1,2-ETHANEDIOL, 8-AZAXANTHINE, OXYGEN MOLECULE, ...
著者Itoh, T, Kishimoto, T, Nishiya, Y.
登録日2017-08-07
公開日2018-08-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Conformational Flexibility of Plastic Interface Loop Allows Entropic Adaptation of Urate Oxidase to Environmental pH
To Be Published
4B4M
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Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ...
著者Alphey, M.S, Pirrie, L, Torrie, L.S, Gardiner, M, Westwood, N.J, Gray, D, Naismith, J.H.
登録日2012-07-31
公開日2012-10-31
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa.
ACS Chem. Biol., 8, 2013

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