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PDB: 51630 件

8GU1
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Crystal Structure of putative amino acid binding periplasmic ABC transporter protein from Candidatus Liberibacter asiaticus in complex with Pimozide
分子名称: 3-[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]-1~{H}-benzimidazol-2-one, Putative amino acid-binding periplasmic ABC transporter protein
著者Lonare, S, Sharma, M, Sharma, A.K.
登録日2022-09-09
公開日2023-07-26
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Identification and evaluation of potential inhibitor molecules against TcyA from Candidatus Liberibacter asiaticus.
J.Struct.Biol., 215, 2023
5CSG
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The crystal structure of beta2-microglobulin R97Q mutant
分子名称: ACETATE ION, Beta-2-microglobulin
著者de Rosa, M, Bolognesi, M, Ricagno, S.
登録日2015-07-23
公開日2016-08-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Conformational dynamics in crystals reveal the molecular bases for D76N beta-2 microglobulin aggregation propensity.
Nat Commun, 9, 2018
6TLR
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BU of 6tlr by Molmil
HUMAN CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 4,7-DIBROMOBENZOTRIAZOLE
分子名称: 4,7-bis(bromanyl)-1~{H}-benzotriazole, CHLORIDE ION, Casein kinase II subunit alpha, ...
著者Czapinska, H, Piasecka, A, Winiewska-Szajewska, M, Bochtler, M, Poznanski, J.
登録日2019-12-03
公開日2020-12-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Halogen Atoms in the Protein-Ligand System. Structural and Thermodynamic Studies of the Binding of Bromobenzotriazoles by the Catalytic Subunit of Human Protein Kinase CK2.
J.Phys.Chem.B, 125, 2021
5L8V
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BU of 5l8v by Molmil
Apo-structure of humanised RadA-mutant humRadA4
分子名称: DNA repair and recombination protein RadA, PHOSPHATE ION
著者Marsh, M, Fischer, G, Moschetti, T, Sharpe, T, Scott, D, Morgan, M, Ng, H, Skidmore, J, Venkitaraman, A, Abell, C, Blundell, T.L, Hyvonen, M.
登録日2016-06-08
公開日2016-10-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Engineering Archeal Surrogate Systems for the Development of Protein-Protein Interaction Inhibitors against Human RAD51.
J.Mol.Biol., 428, 2016
5L6H
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Uba1 in complex with Ub-ABPA3 covalent adduct
分子名称: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
著者Misra, M, Schindelin, H.
登録日2016-05-30
公開日2017-06-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Dissecting the Specificity of Adenosyl Sulfamate Inhibitors Targeting the Ubiquitin-Activating Enzyme.
Structure, 25, 2017
5LB4
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BU of 5lb4 by Molmil
Apo-structure of humanised RadA-mutant humRadA14
分子名称: DNA repair and recombination protein RadA
著者Marsh, M, Fischer, G, Moschetti, T, Sharpe, T, Scott, D, Morgan, M, Ng, H, Skidmore, J, Venkitaraman, A, Abell, C, Blundell, T.L, Hyvonen, M.
登録日2016-06-15
公開日2016-10-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Engineering Archeal Surrogate Systems for the Development of Protein-Protein Interaction Inhibitors against Human RAD51.
J.Mol.Biol., 428, 2016
3LQY
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BU of 3lqy by Molmil
Crystal structure of putative isochorismatase hydrolase from Oleispira antarctica
分子名称: GLYCEROL, putative isochorismatase hydrolase
著者Goral, A, Chruszcz, M, Kagan, O, Cymborowski, M, Savchenko, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
登録日2010-02-10
公開日2010-03-16
最終更新日2022-04-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure of a putative isochorismatase hydrolase from Oleispira antarctica.
J.Struct.Funct.Genom., 13, 2012
2GB0
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BU of 2gb0 by Molmil
Monomeric sarcosine oxidase: structure of a covalently flavinylated amine oxidizing enzyme
分子名称: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Monomeric sarcosine oxidase, ...
著者Trickey, P, Wagner, M.A, Jorns, M.S, Mathews, F.S.
登録日2006-03-09
公開日2006-03-21
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Monomeric Sarcosine Oxidase: Structure of a Covalently Flavinylated Amine Oxidizing Enzyme
Structure, 7, 1999
8GF2
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BU of 8gf2 by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with antibodies eCR3022.20 and CC12.3
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, CC12.3 Fab heavy chain, ...
著者Yuan, M, Zhu, X, Wilson, I.A.
登録日2023-03-07
公開日2023-08-23
実験手法X-RAY DIFFRACTION (2.851 Å)
主引用文献Broadening a SARS-CoV-1-neutralizing antibody for potent SARS-CoV-2 neutralization through directed evolution.
Sci.Signal., 16, 2023
5V1K
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BU of 5v1k by Molmil
Structure of R-GNA dodecamer
分子名称: RNA (5'-R(*CP*GP*CP*GP*AP*AP*(5BU)P*(8RJ)P*AP*GP*CP*G)-3')
著者Pallan, P.S, Egli, M.
登録日2017-03-02
公開日2017-06-21
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献Chirality Dependent Potency Enhancement and Structural Impact of Glycol Nucleic Acid Modification on siRNA.
J. Am. Chem. Soc., 2017
7TRV
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BU of 7trv by Molmil
Crystal Structure of the DNA-Binding Domain of the LysR family Transcriptional Regulator YfbA from Yersinia pestis
分子名称: CHLORIDE ION, FORMIC ACID, GLYCEROL, ...
著者Kim, Y, Tesar, C, Crawford, M, Chhor, G, Endres, M, Babnigg, G, Schneewind, O, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2022-01-31
公開日2022-02-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of the DNA-Binding Domain of the LysR family Transcriptional Regulator YfbA from Yersinia pestis
To Be Published
6FWW
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BU of 6fww by Molmil
GFP/KKK. A redesigned GFP with improved solubility
分子名称: Green fluorescent protein
著者Varejao, N, Lascorz, J, Gil-Garcia, M, Diaz-Caballero, M, Navarro, S, Ventura, S, Reverter, D.
登録日2018-03-07
公開日2018-08-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.131 Å)
主引用文献Combining Structural Aggregation Propensity and Stability Predictions To Redesign Protein Solubility.
Mol. Pharm., 15, 2018
5LBI
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BU of 5lbi by Molmil
Apo-structure of humanised RadA-mutant humRadA3
分子名称: CALCIUM ION, DNA repair and recombination protein RadA
著者Marsh, M, Fischer, G, Moschetti, T, Sharpe, T, Scott, D, Morgan, M, Ng, H, Skidmore, J, Venkitaraman, A, Abell, C, Blundell, T.L, Hyvonen, M.
登録日2016-06-16
公開日2016-10-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Engineering Archeal Surrogate Systems for the Development of Protein-Protein Interaction Inhibitors against Human RAD51.
J.Mol.Biol., 428, 2016
7TRW
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BU of 7trw by Molmil
Crystal Structure of the C-terminal Ligand-Binding Domain of the LysR family Transcriptional Regulator YfbA from Yersinia pestis
分子名称: 3-HYDROXYBENZOIC ACID, LysR-family transcriptional regulatory protein, PHOSPHATE ION
著者Kim, Y, Tesar, C, Crawford, M, Endres, M, Babnigg, G, Schneewind, O, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2022-01-31
公開日2022-02-09
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Crystal Structure of the C-terminal Ligand-Binding Domain of the LysR family Transcriptional Regulator YfbA from Yersinia pestis
To Be Published
6TLS
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BU of 6tls by Molmil
HUMAN CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 4,6-DIBROMOBENZOTRIAZOLE
分子名称: 5,7-bis(bromanyl)-1~{H}-benzotriazole, CHLORIDE ION, Casein kinase II subunit alpha, ...
著者Czapinska, H, Piasecka, A, Winiewska-Szajewska, M, Bochtler, M, Poznanski, J.
登録日2019-12-03
公開日2020-12-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Halogen Atoms in the Protein-Ligand System. Structural and Thermodynamic Studies of the Binding of Bromobenzotriazoles by the Catalytic Subunit of Human Protein Kinase CK2.
J.Phys.Chem.B, 125, 2021
7TKV
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BU of 7tkv by Molmil
Crystal Structure of the Thioredox_DsbH Domain-Containing Uncharacterized Protein Bab1_2064 from Brucella abortus
分子名称: CHLORIDE ION, GLYCEROL, PHOSPHATE ION, ...
著者Kim, Y, Crawford, M, Endres, M, Babnigg, G, Crosson, S, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2022-01-17
公開日2022-01-26
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal Structure of the Thioredox_DsbH Domain-Containing Uncharacterized Protein Bab1_2064 from Brucella abortus
To Be Published
6T8V
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BU of 6t8v by Molmil
Complement factor B in complex with (S)-5,7-Dimethyl-4-((2-phenylpiperidin-1-yl)methyl)-1H-indole
分子名称: 4-[(2~{S})-1-[(5,7-dimethyl-1~{H}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid, Complement factor B, SULFATE ION, ...
著者Mainolfi, N, Ehara, T, Karki, R.G, Anderson, K, Mac Sweeney, A, Wiesmann, C, Adams, C, Mainolfi, N, Liao, S.-M, Argikar, U.A, Jendza, K, Zhang, C, Powers, J, Klosowski, D.W, Crowley, M, Kawanami, T, Ding, J, April, M, Forster, C, Serrano-Wu, M, Capparelli, M, Ramqaj, R, Solovay, C, Cumin, F, Smith, T.M, Ferrara, L, Lee, W, Long, D, Prentiss, M, De Erkenez, A, Yang, L, Fang, L, Sellner, H, Sirockin, F, Valeur, E, Erbel, P, Ramage, P, Gerhartz, B, Schubart, A, Flohr, S, Gradoux, N, Feifel, R, Vogg, B, Wiesmann, C, Maibaum, J, Eder, J, Sedrani, R, Harrison, R.A, Mogi, M, Jaffee, B.D, Adams, C.M.
登録日2019-10-25
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Discovery of 4-((2S,4S)-4-Ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic Acid (LNP023), a Factor B Inhibitor Specifically Designed To Be Applicable to Treating a Diverse Array of Complement Mediated Diseases.
J.Med.Chem., 63, 2020
2G4K
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BU of 2g4k by Molmil
Anomalous substructure of human ADP-ribosylhydrolase 3
分子名称: ADP-ribosylhydrolase 3, CHLORIDE ION, MAGNESIUM ION
著者Mueller-Dieckmann, C, Weiss, M.S.
登録日2006-02-22
公開日2007-02-20
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献On the routine use of soft X-rays in macromolecular crystallography. Part IV. Efficient determination of anomalous substructures in biomacromolecules using longer X-ray wavelengths.
Acta Crystallogr.,Sect.D, 63, 2007
5VAH
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BU of 5vah by Molmil
Crystal structure of ATXR5 SET domain in complex with histone H3 di-methylated on R26
分子名称: Histone H3.2, Probable Histone-lysine N-methyltransferase ATXR5, S-ADENOSYL-L-HOMOCYSTEINE
著者Bergamin, E, Sarvan, S, Malette, J, Eram, M, Yeung, S, Mongeon, V, Joshi, M, Brunzelle, J.S, Michaels, S.D, Blais, A, Vedadi, M, Couture, J.-F.
登録日2017-03-26
公開日2017-04-05
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular basis for the methylation specificity of ATXR5 for histone H3.
Nucleic Acids Res., 45, 2017
2G4P
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BU of 2g4p by Molmil
Anomalous substructure of lysozyme at pH 4.5
分子名称: CHLORIDE ION, Lysozyme C
著者Mueller-Dieckmann, C, Weiss, M.S.
登録日2006-02-22
公開日2007-02-20
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献On the routine use of soft X-rays in macromolecular crystallography. Part IV. Efficient determination of anomalous substructures in biomacromolecules using longer X-ray wavelengths.
Acta Crystallogr.,Sect.D, 63, 2007
2G4T
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anomalous substructure of porcine pancreatic elastase (Na)
分子名称: Elastase-1, SODIUM ION, SULFATE ION
著者Mueller-Dieckmann, C, Weiss, M.S.
登録日2006-02-22
公開日2007-02-20
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献On the routine use of soft X-rays in macromolecular crystallography. Part IV. Efficient determination of anomalous substructures in biomacromolecules using longer X-ray wavelengths.
Acta Crystallogr.,Sect.D, 63, 2007
2G4U
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BU of 2g4u by Molmil
Anomalous substructure of porcine pancreatic elastaase (Ca)
分子名称: CALCIUM ION, CITRATE ANION, elastase-1
著者Mueller-Dieckmann, C, Weiss, M.S.
登録日2006-02-22
公開日2007-02-20
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献On the routine use of soft X-rays in macromolecular crystallography. Part IV. Efficient determination of anomalous substructures in biomacromolecules using longer X-ray wavelengths.
Acta Crystallogr.,Sect.D, 63, 2007
8JYG
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BU of 8jyg by Molmil
Crystal structure of Human HPSE1 in complex with inhibitor
分子名称: (5~{S},6~{R},7~{S},8~{S})-6,7,8-tris(oxidanyl)-2-[2-(3-phenoxyphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Mima, M, Fujimoto, N, Imai, Y.
登録日2023-07-03
公開日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-based lead optimization to improve potency and selectivity of a novel tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid series of heparanase-1 inhibitor.
Bioorg.Med.Chem., 93, 2023
8KD5
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BU of 8kd5 by Molmil
Rpd3S in complex with nucleosome with H3K36MLA modification and 187bp DNA, class2
分子名称: 187bp DNA, Chromatin modification-related protein EAF3, Histone H2A, ...
著者Dong, S, Li, H, Wang, M, Rasheed, N, Zou, B, Gao, X, Guan, J, Li, W, Zhang, J, Wang, C, Zhou, N, Shi, X, Li, M, Zhou, M, Huang, J, Li, H, Zhang, Y, Wong, K.H, Chang, X, Chao, W.C.H, He, J.
登録日2023-08-09
公開日2023-09-13
最終更新日2023-10-11
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural basis of nucleosome deacetylation and DNA linker tightening by Rpd3S histone deacetylase complex.
Cell Res., 33, 2023
6TLL
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BU of 6tll by Molmil
HUMAN CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 4,5,6,7-TETRABROMOBENZOTRIAZOLE (tBBT)
分子名称: 4,5,6,7-TETRABROMOBENZOTRIAZOLE, CHLORIDE ION, Casein kinase II subunit alpha, ...
著者Czapinska, H, Piasecka, A, Winiewska-Szajewska, M, Bochtler, M, Poznanski, J.
登録日2019-12-03
公開日2020-12-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Halogen Atoms in the Protein-Ligand System. Structural and Thermodynamic Studies of the Binding of Bromobenzotriazoles by the Catalytic Subunit of Human Protein Kinase CK2.
J.Phys.Chem.B, 125, 2021

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