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1AEB
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SPECIFICITY OF LIGAND BINDING TO A BURIED POLAR CAVITY AT THE ACTIVE SITE OF CYTOCHROME C PEROXIDASE (3-METHYLTHIAZOLE)
分子名称: 3-METHYLTHIAZOLIUM ION, CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE
著者Musah, R.A, Jensen, G.M, Fitzgerald, M.M, Mcree, D.E, Goodin, D.B.
登録日1997-02-24
公開日1997-09-04
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Artificial protein cavities as specific ligand-binding templates: characterization of an engineered heterocyclic cation-binding site that preserves the evolved specificity of the parent protein.
J.Mol.Biol., 315, 2002
7AD2
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Linalool Dehydratase Isomerase G107T mutant
分子名称: Linalool dehydratase/isomerase, MALONATE ION
著者Cuetos, A, Fischer, M.P, Hauer, B, Grogan, G.
登録日2020-09-14
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Linalool Dehydratase Isomerase G107T mutant
To Be Published
1AEO
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SPECIFICITY OF LIGAND BINDING TO A BURIED POLAR CAVITY AT THE ACTIVE SITE OF CYTOCHROME C PEROXIDASE (2-AMINOPYRIDINE)
分子名称: 2-AMINOPYRIDINE, CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE
著者Musah, R.A, Jensen, G.M, Bunte, S.W, Rosenfeld, R, Mcree, D.E, Goodin, D.B.
登録日1997-02-25
公開日1997-09-04
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Artificial protein cavities as specific ligand-binding templates: characterization of an engineered heterocyclic cation-binding site that preserves the evolved specificity of the parent protein.
J.Mol.Biol., 315, 2002
5X49
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BU of 5x49 by Molmil
Crystal Structure of Human mitochondrial X-prolyl Aminopeptidase (XPNPEP3)
分子名称: (2S,3R)-3-amino-2-hydroxy-4-phenylbutanoic acid, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
著者Singh, R, Kumar, A, Ghosh, B, Jamdar, S, Makde, R.D.
登録日2017-02-10
公開日2017-05-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure of the human aminopeptidase XPNPEP3 and comparison of its in vitro activity with Icp55 orthologs: Insights into diverse cellular processes.
J. Biol. Chem., 292, 2017
6IC6
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Human cathepsin-C in complex with cyclopropyl peptidyl nitrile inhibitor 1
分子名称: (2~{S})-~{N}-[(1~{R},2~{R})-1-(aminomethyl)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]cyclopropyl]-2-azanyl-butanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Hakansson, M, Logan, D.T, Korkmaz, B, Lesner, A, Wysocka, M, Gieldon, A, Gauthier, F, Jenne, D, Lauritzen, C, Pedersen, J.
登録日2018-12-02
公開日2019-04-24
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.898 Å)
主引用文献Structure-based design and in vivo anti-arthritic activity evaluation of a potent dipeptidyl cyclopropyl nitrile inhibitor of cathepsin C.
Biochem. Pharmacol., 164, 2019
8OT1
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unseeded Abeta(1-40) amyloid fibril (morphology i)
分子名称: Amyloid-beta A4 protein
著者Pfeiffer, P.B, Schmidt, M, Faendrich, M.
登録日2023-04-20
公開日2024-02-07
実験手法ELECTRON MICROSCOPY (2.59 Å)
主引用文献Cryo-EM Analysis of the Effect of Seeding with Brain-derived A beta Amyloid Fibrils.
J.Mol.Biol., 436, 2023
8F6O
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anti-BTLA monoclonal antibody h22B3 in complex with BTLA
分子名称: B- and T-lymphocyte attenuator, h22B3 Fab heavy chain, h22B3 Fab light chain
著者Hendle, J, Atwell, S, Lieu, R, Hickey, M, Weichert, K.
登録日2022-11-16
公開日2023-05-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Epitope topography of agonist antibodies to the checkpoint inhibitory receptor BTLA.
Structure, 31, 2023
8OT3
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unseeded Abeta(1-40) amyloid fibril (morphology ii)
分子名称: Amyloid-beta A4 protein
著者Pfeiffer, P.B, Schmidt, M, Faendrich, M.
登録日2023-04-20
公開日2024-02-07
実験手法ELECTRON MICROSCOPY (2.73 Å)
主引用文献Cryo-EM Analysis of the Effect of Seeding with Brain-derived A beta Amyloid Fibrils.
J.Mol.Biol., 436, 2023
7YRS
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BU of 7yrs by Molmil
Crystal structure of Lactobacillus rhamnosus 4-deoxy-L-threo-5-hexosulose-uronate ketol-isomerase KduI complexed with MOPS
分子名称: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, 4-deoxy-L-threo-5-hexosulose-uronate ketol-isomerase, ZINC ION
著者Yamamoto, Y, Oiki, S, Takase, R, Mikami, B, Hashimoto, W.
登録日2022-08-10
公開日2023-08-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.802 Å)
主引用文献Crystal Structures of Lacticaseibacillus 4-Deoxy-L- threo- 5-hexosulose-uronate Ketol-isomerase KduI in Complex with Substrate Analogs.
J Appl Glycosci (1999), 70, 2023
6EHC
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BU of 6ehc by Molmil
OmpUdeltaN (N-terminus deletion mutant of OmpU), outer membrane protein of Vibrio cholerae
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Outer membrane protein U
著者van den berg, B, Pathania, M.
登録日2017-09-13
公開日2018-04-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Unusual Constriction Zones in the Major Porins OmpU and OmpT from Vibrio cholerae.
Structure, 26, 2018
1P7H
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BU of 1p7h by Molmil
Structure of NFAT1 bound as a dimer to the HIV-1 LTR kB element
分子名称: 5'-D(*AP*AP*TP*GP*GP*GP*GP*AP*CP*TP*TP*TP*CP*CP*A)-3', 5'-D(*TP*TP*TP*GP*GP*AP*AP*AP*GP*TP*CP*CP*CP*CP*A)-3', Nuclear factor of activated T-cells, ...
著者Giffin, M.J, Stroud, J.C, Bates, D.L, von Koenig, K.D, Hardin, J, Chen, L.
登録日2003-05-01
公開日2003-09-23
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of NFAT1 bound as a dimer to the HIV-1 LTR kappa B element
Nat.Struct.Biol., 10, 2003
8OT4
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seeded Abeta(1-40) amyloid fibril (morphology I)
分子名称: Amyloid-beta A4 protein
著者Pfeiffer, P.B, Schmidt, M, Faendrich, M.
登録日2023-04-20
公開日2024-02-07
実験手法ELECTRON MICROSCOPY (2.97 Å)
主引用文献Cryo-EM Analysis of the Effect of Seeding with Brain-derived A beta Amyloid Fibrils.
J.Mol.Biol., 436, 2023
5KPP
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BU of 5kpp by Molmil
Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor
分子名称: 1-[[4-fluoranyl-3-[(3R)-3-methyl-4-[2,2,2-tris(fluoranyl)ethyl]piperazin-1-yl]carbonyl-phenyl]methyl]quinazoline-2,4-dione, Poly [ADP-ribose] polymerase 1
著者Cao, R, Wang, Y.L, Zhou, J, Huang, N, Xu, B.L.
登録日2016-07-05
公開日2016-11-30
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor
To Be Published
7V4Z
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BU of 7v4z by Molmil
Structure of Horcolin native form
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Bobbili, K.B, Sivaji, N, Jayaprakash, N.G, Narayanan, V, Sekhar, A, Suguna, K, Surolia, A.
登録日2021-08-16
公開日2022-03-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Structure and Carbohydrate Recognition by the Nonmitogenic Lectin Horcolin.
Biochemistry, 61, 2022
7ABL
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HBV pgRNA T=4 NCP icosahedral symmetry
分子名称: Capsid protein
著者Patel, N, Clark, S, Weis, E.U, Mata, C.P, Bohon, J, Farquhar, E, Ranson, N.A, Twarock, R, Stockley, P.G.
登録日2020-09-07
公開日2021-10-27
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献In vitro functional analysis of gRNA sites regulating assembly of hepatitis B virus.
Commun Biol, 4, 2021
8EK9
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BU of 8ek9 by Molmil
Crystal structure of the class A carbapenemase CRH-1 in complex with avibactam at 1.4 Angstrom resolution
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase
著者Power, P, Brunetti, F, Ghiglione, B, Guardabassi, L, Gutkind, G, Klinke, S.
登録日2022-09-20
公開日2023-05-31
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Biochemical and Structural Characterization of CRH-1, a Carbapenemase from Chromobacterium haemolyticum Related to KPC beta-Lactamases.
Antimicrob.Agents Chemother., 67, 2023
4WIL
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BU of 4wil by Molmil
Crystal structure of DCoH2 S51T
分子名称: Pterin-4-alpha-carbinolamine dehydratase 2
著者Wang, D, Rose, R.B.
登録日2014-09-26
公開日2014-12-31
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Interactions with the Bifunctional Interface of the Transcriptional Coactivator DCoH1 Are Kinetically Regulated.
J.Biol.Chem., 290, 2015
8EHU
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Crystal structure of the environmental CRH-1 class A carbapenemase at 1.1 Angstrom resolution
分子名称: Beta-lactamase
著者Power, P, Brunetti, F, Ghiglione, B, Guardabassi, L, Gutkind, G, Klinke, S.
登録日2022-09-14
公開日2023-05-31
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Biochemical and Structural Characterization of CRH-1, a Carbapenemase from Chromobacterium haemolyticum Related to KPC beta-Lactamases.
Antimicrob.Agents Chemother., 67, 2023
7SFP
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BU of 7sfp by Molmil
Crystal structure of OssO, a spirocyclase involved in the biosynthesis of ossamycin
分子名称: Spirocyclase
著者Bilyk, O, Leadlay, P.F, Dias, M.V.B.
登録日2021-10-04
公開日2022-08-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Enzyme-Catalyzed Spiroacetal Formation in Polyketide Antibiotic Biosynthesis.
J.Am.Chem.Soc., 144, 2022
8OS5
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BU of 8os5 by Molmil
Crystal structure of the Factor XII heavy chain reveals an interlocking dimer with a FnII to kringle domain interaction
分子名称: Coagulation factor XII-Mie
著者Li, C, Saleem, M, Kaira, B.G, Brown, A, Wilson, C, Philippou, H, Emsley, J.
登録日2023-04-18
公開日2024-03-27
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Factor XII and kininogen asymmetric assembly with gC1qR/C1QBP/P32 is governed by allostery.
Blood, 136, 2020
6U4R
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Crystal structure of Equine Serum Albumin complex with ketoprofen
分子名称: (2S)-2-[3-(benzenecarbonyl)phenyl]propanoic acid, SULFATE ION, Serum albumin, ...
著者Czub, M.P, Handing, K.B, Shabalin, I.G, Satchell, K.J, Joachimiak, A, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2019-08-26
公開日2019-09-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Albumin-Based Transport of Nonsteroidal Anti-Inflammatory Drugs in Mammalian Blood Plasma.
J.Med.Chem., 63, 2020
8EFN
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Structure of Sp-STING3 from Stylophora pistillata coral in complex with 3',3'-cGAMP
分子名称: 1,2-ETHANEDIOL, 2-amino-9-[(2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one, Stimulator of interferon genes protein
著者Li, Y, Slavik, K.M, Morehouse, B.R, Mears, K, Kranzusch, P.J.
登録日2022-09-08
公開日2023-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献cGLRs are a diverse family of pattern recognition receptors in innate immunity.
Cell, 186, 2023
5DN5
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Structure of a C-terminally truncated glycoside hydrolase domain from Salmonella typhimurium FlgJ
分子名称: CHLORIDE ION, IODIDE ION, Peptidoglycan hydrolase FlgJ, ...
著者Zaloba, P, Bailey-Elkin, B.A, Mark, B.L.
登録日2015-09-09
公開日2016-02-24
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural and Biochemical Insights into the Peptidoglycan Hydrolase Domain of FlgJ from Salmonella typhimurium.
Plos One, 11, 2016
5HUB
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BU of 5hub by Molmil
High-resolution structure of chorismate mutase from Corynebacterium glutamicum
分子名称: Chorismate mutase, FORMIC ACID
著者Burschowsky, D, Heim, J.B, Thorbjoernsrud, H.V, Krengel, U.
登録日2016-01-27
公開日2017-08-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.06 Å)
主引用文献Inter-Enzyme Allosteric Regulation of Chorismate Mutase in Corynebacterium glutamicum: Structural Basis of Feedback Activation by Trp.
Biochemistry, 57, 2018
5HUE
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DAHP synthase from Corynebacterium glutamicum in complex with tryptophan
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-Deoxy-D-arabino-heptulosonate 7-phosphate (DAHP) synthase, ...
著者Burschowsky, D, Heim, J.B, Thorbjoernsrud, H.V, Krengel, U.
登録日2016-01-27
公開日2017-08-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Inter-Enzyme Allosteric Regulation of Chorismate Mutase in Corynebacterium glutamicum: Structural Basis of Feedback Activation by Trp.
Biochemistry, 57, 2018

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