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PDB: 51630 件

5GWT
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BU of 5gwt by Molmil
4-hydroxyisoleucine dehydrogenase mutant complexed with NADH and succinate
分子名称: 4-hydroxyisolecuine dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SUCCINIC ACID
著者Shi, X, Miyakawa, T, Nakamura, A, Tanokura, M.
登録日2016-09-13
公開日2017-10-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Engineering a short-chain dehydrogenase/reductase for the stereoselective production of (2S,3R,4S)-4-hydroxyisoleucine with three asymmetric centers.
Sci Rep, 7, 2017
7AVZ
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BU of 7avz by Molmil
MerTK kinase domain in complex with a bisaminopyrimidine inhibitor
分子名称: (R)-N2-(4-(cyclopropylmethoxy)-3,5-difluorophenyl)-5-(3-methylpiperazin-1-yl)-N4-(tetrahydro-2H-pyran-4-yl)pyrimidine-2,4-diamine, Tyrosine-protein kinase Mer
著者Pflug, A, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Preston, M, Rawlins, P, Rivers, E, Schimpl, M, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S.
登録日2020-11-06
公開日2021-03-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy.
J.Med.Chem., 64, 2021
7AW3
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BU of 7aw3 by Molmil
MerTK kinase domain with type 1 inhibitor from a DNA-encoded library
分子名称: 2-(1-((5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carboxamido)methyl)-2-azabicyclo[2.1.1]hexan-2-yl)-N-methyl-4-(trifluoromethyl)thiazole-5-carboxamide, Tyrosine-protein kinase Mer
著者Schimpl, M, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Pflug, A, Preston, M, Rawlins, P, Rivers, E, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S.
登録日2020-11-06
公開日2021-03-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy.
J.Med.Chem., 64, 2021
2B0P
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BU of 2b0p by Molmil
truncated S. aureus LytM, P212121 crystal form
分子名称: ACETATE ION, CACODYLATE ION, Glycyl-glycine endopeptidase lytM, ...
著者Firczuk, M, Mucha, A, Bochtler, M.
登録日2005-09-14
公開日2006-01-10
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structures of active LytM.
J.Mol.Biol., 354, 2005
5MQ3
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BU of 5mq3 by Molmil
Structure of AaLS-neg
分子名称: 6,7-dimethyl-8-ribityllumazine synthase
著者Sasaki, E, Boehringer, D, Leibundgut, M, Ban, N, Hilvert, D.
登録日2016-12-20
公開日2017-03-22
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (5.4 Å)
主引用文献Structure and assembly of scalable porous protein cages.
Nat Commun, 8, 2017
5K98
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BU of 5k98 by Molmil
Structure of HipA-HipB-O2-O3 complex
分子名称: Antitoxin HipB, DNA (5'-D(*CP*TP*AP*TP*CP*CP*CP*CP*TP*TP*AP*AP*GP*GP*GP*GP*AP*TP*AP*GP*GP*GP*A)-3'), DNA (5'-D(*TP*CP*CP*CP*TP*AP*TP*CP*CP*CP*CP*TP*TP*AP*AP*GP*GP*GP*GP*AP*TP*AP*G)-3'), ...
著者Schumacher, M.
登録日2016-05-31
公開日2016-06-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.99 Å)
主引用文献HipBA-promoter structures reveal the basis of heritable multidrug tolerance.
Nature, 524, 2015
7B7F
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BU of 7b7f by Molmil
Room temperature X-ray structure of H/D-exchanged PLL lectin in complex with L-fucose
分子名称: PLL lectin, alpha-L-fucopyranose, beta-L-fucopyranose
著者Gajdos, L, Blakeley, M.P, Kumar, A, Wimmerova, M, Haertlein, M, Forsyth, V.T, Imberty, A, Devos, J.M.
登録日2020-12-10
公開日2021-03-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Visualization of hydrogen atoms in a perdeuterated lectin-fucose complex reveals key details of protein-carbohydrate interactions.
Structure, 29, 2021
7B7E
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BU of 7b7e by Molmil
Room temperature X-ray structure of perdeuterated PLL lectin
分子名称: PLL lectin
著者Gajdos, L, Blakeley, M.P, Kumar, A, Wimmerova, M, Haertlein, M, Forsyth, V.T, Imberty, A, Devos, J.M.
登録日2020-12-10
公開日2021-03-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Visualization of hydrogen atoms in a perdeuterated lectin-fucose complex reveals key details of protein-carbohydrate interactions.
Structure, 29, 2021
1X57
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BU of 1x57 by Molmil
Solution structures of the HTH domain of human EDF-1 protein
分子名称: Endothelial differentiation-related factor 1
著者Nameki, N, Sato, M, Tochio, N, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2005-05-15
公開日2005-11-15
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structures of the HTH domain of human EDF-1 protein
To be Published
7B7C
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BU of 7b7c by Molmil
Room temperature X-ray structure of perdeuterated PLL lectin in complex with L-fucose
分子名称: PLL lectin, alpha-L-fucopyranose, beta-L-fucopyranose
著者Gajdos, L, Blakeley, M.P, Kumar, A, Wimmerova, M, Haertlein, M, Forsyth, V.T, Imberty, A, Devos, J.M.
登録日2020-12-10
公開日2021-03-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Visualization of hydrogen atoms in a perdeuterated lectin-fucose complex reveals key details of protein-carbohydrate interactions.
Structure, 29, 2021
6SR2
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BU of 6sr2 by Molmil
X-ray pump X-ray probe on lysozyme.Gd nanocrystals: 37 fs time delay
分子名称: 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, CHLORIDE ION, GADOLINIUM ATOM, ...
著者Kloos, M, Gorel, A, Nass, K.
登録日2019-09-04
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural dynamics in proteins induced by and probed with X-ray free-electron laser pulses.
Nat Commun, 11, 2020
8FMQ
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BU of 8fmq by Molmil
Complex structure of K210 deletion Troponin complex with alendronate
分子名称: CALCIUM ION, Troponin C, slow skeletal and cardiac muscles, ...
著者Wang, P, Ahmed, M, Sadek, H.
登録日2022-12-24
公開日2024-01-31
実験手法X-RAY DIFFRACTION (3.248 Å)
主引用文献Structural and Phenotypic Correction of K210del Genetic Cardiomyopathy by an FDA Approved drug
To Be Published
8FMN
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BU of 8fmn by Molmil
Complex structure of K210 deletion Troponin complex
分子名称: CALCIUM ION, Troponin C, slow skeletal and cardiac muscles, ...
著者Wang, P, Ahmed, M, Sadek, H.
登録日2022-12-23
公開日2024-01-31
実験手法X-RAY DIFFRACTION (3.101 Å)
主引用文献Structural and Phenotypic Correction of K210del Genetic Cardiomyopathy by an FDA Approved drug
To Be Published
8FMR
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BU of 8fmr by Molmil
Complex structure of K210 deletion Troponin complex with ibandronate
分子名称: CALCIUM ION, Troponin C, slow skeletal and cardiac muscles, ...
著者Wang, P, Ahmed, M, Sadek, H.
登録日2022-12-24
公開日2024-01-31
実験手法X-RAY DIFFRACTION (3.238 Å)
主引用文献Structural and Phenotypic Correction of K210del Genetic Cardiomyopathy by an FDA Approved drug
To Be Published
8FMS
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BU of 8fms by Molmil
Complex structure of K210 deletion Troponin complex with neridronate
分子名称: CALCIUM ION, Troponin C, slow skeletal and cardiac muscles, ...
著者Wang, P, Ahmed, M, Sadek, H.
登録日2022-12-24
公開日2024-01-31
実験手法X-RAY DIFFRACTION (3.435 Å)
主引用文献Structural and Phenotypic Correction of K210del Genetic Cardiomyopathy by an FDA Approved drug
To Be Published
8FMT
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BU of 8fmt by Molmil
Complex structure of TnnT-R205L Troponin complex
分子名称: CALCIUM ION, Troponin C, slow skeletal and cardiac muscles, ...
著者Wang, P, Ahmed, M, Sadek, H.
登録日2022-12-24
公開日2024-01-31
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural and Phenotypic Correction of K210del Genetic Cardiomyopathy by an FDA Approved drug
To Be Published
8FMO
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BU of 8fmo by Molmil
Complex structure of K210 deletion Troponin complex with risedronate
分子名称: CALCIUM ION, Troponin C, slow skeletal and cardiac muscles, ...
著者Wang, P, Ahmed, M, Sadek, H.
登録日2022-12-24
公開日2024-01-31
実験手法X-RAY DIFFRACTION (2.612 Å)
主引用文献Structural and Phenotypic Correction of K210del Genetic Cardiomyopathy by an FDA Approved drug
To Be Published
6SQZ
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BU of 6sqz by Molmil
Mouse dCTPase in complex with dCMPNPP
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, MAGNESIUM ION, dCTP pyrophosphatase 1
著者Scaletti, E.R, Claesson, M, Helleday, H, Jemth, A.S, Stenmark, P.
登録日2019-09-04
公開日2020-01-29
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The First Structure of an Active Mammalian dCTPase and its Complexes With Substrate Analogs and Products.
J.Mol.Biol., 432, 2020
5MTL
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BU of 5mtl by Molmil
Crystal structure of an amyloidogenic light chain
分子名称: light chain dimer,IGL@ protein,IGL@ protein
著者Oberti, L, Rognoni, P, Russo, R, Bacarizo, J, Bolognesi, M, Ricagno, S.
登録日2017-01-10
公開日2017-12-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Concurrent structural and biophysical traits link with immunoglobulin light chains amyloid propensity.
Sci Rep, 7, 2017
5MVG
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BU of 5mvg by Molmil
Crystal structure of non-amyloidogenic light chain dimer M7
分子名称: GLYCEROL, light chain dimer
著者Oberti, L, Rognoni, P, Bacarizo, J, Bolognesi, M, Ricagno, S.
登録日2017-01-16
公開日2017-12-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Concurrent structural and biophysical traits link with immunoglobulin light chains amyloid propensity.
Sci Rep, 7, 2017
6ESI
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BU of 6esi by Molmil
Nucleosome breathing : Class 4
分子名称: DNA (133-MER), Histone H2A, Histone H2B 1.1, ...
著者Bilokapic, S, Halic, M.
登録日2017-10-20
公開日2017-12-20
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (6.3 Å)
主引用文献Histone octamer rearranges to adapt to DNA unwrapping.
Nat. Struct. Mol. Biol., 25, 2018
3LAQ
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BU of 3laq by Molmil
Structure-based engineering of species selectivity in the uPA-uPAR interaction
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Urokinase plasminogen activator surface receptor, Urokinase-type plasminogen activator
著者Huang, M.
登録日2010-01-06
公開日2010-02-02
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structure-based engineering of species selectivity in the interaction between urokinase and its receptor: implication for preclinical cancer therapy.
J.Biol.Chem., 285, 2010
8FMP
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BU of 8fmp by Molmil
Complex structure of K210 deletion Troponin complex with pamidronate
分子名称: CALCIUM ION, Troponin C, slow skeletal and cardiac muscles, ...
著者Wang, P, Ahmed, M, Sadek, H.
登録日2022-12-24
公開日2024-01-31
実験手法X-RAY DIFFRACTION (3.24 Å)
主引用文献Structural and Phenotypic Correction of K210del Genetic Cardiomyopathy by an FDA Approved drug
To Be Published
6SR5
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BU of 6sr5 by Molmil
X-ray pump X-ray probe on lysozyme.Gd nanocrystals: 102 fs time delay
分子名称: 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, CHLORIDE ION, GADOLINIUM ATOM, ...
著者Kloos, M, Gorel, A, Nass, K.
登録日2019-09-04
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural dynamics in proteins induced by and probed with X-ray free-electron laser pulses.
Nat Commun, 11, 2020
5MYL
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BU of 5myl by Molmil
Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound GSK1570606A at 1.72A resolution
分子名称: 2-(4-fluorophenyl)-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanamide, HTH-type transcriptional regulator EthR
著者Blaszczyk, M, Mendes, V, Mugumbate, G, Blundell, T.L.
登録日2017-01-27
公開日2017-10-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.724 Å)
主引用文献Target Identification of Mycobacterium tuberculosis Phenotypic Hits Using a Concerted Chemogenomic, Biophysical, and Structural Approach.
Front Pharmacol, 8, 2017

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