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2WZZ
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BU of 2wzz by Molmil
AMP-C BETA-LACTAMASE (PSEUDOMONAS AERUGINOSA)IN COMPLEX WITH compound M-03
分子名称: (3R)-1-[(4R)-AZEPAN-4-YLCARBAMOYL]-3-(SULFOAMINO)-L-PROLINE, BETA-LACTAMASE, CHLORIDE ION
著者Fitzgerald, P.M.D, Sharma, N, Lu, J.
登録日2009-12-03
公開日2010-01-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Side Chain Sar of Bicyclic Beta-Lactamase Inhibitors (Blis). 1. Discovery of a Class C Bli for Combination with Imipinem.
Bioorg.Med.Chem.Lett., 20, 2010
4ZCA
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BU of 4zca by Molmil
Eg5 motor domain mutant Y231F
分子名称: ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, MAGNESIUM ION
著者Luo, M, Parke, C, Worthylake, D.
登録日2015-04-15
公開日2016-06-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Eg5
To Be Published
5X1H
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BU of 5x1h by Molmil
Structure of Legionella pneumophila DotN
分子名称: IcmJ (DotN), ZINC ION
著者Kwak, M.J, Oh, B.H.
登録日2017-01-26
公開日2017-06-14
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.005 Å)
主引用文献Architecture of the type IV coupling protein complex of Legionella pneumophila
Nat Microbiol, 2, 2017
5A1N
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BU of 5a1n by Molmil
The crystal structure of the GST-like domains complex of EPRS-AIMP2 mutant S156D
分子名称: AMINOACYL TRNA SYNTHASE COMPLEX-INTERACTING MULTIFUNCTIONAL PROTEIN 2, BIFUNCTIONAL GLUTAMATE/PROLINE--TRNA LIGASE, GLYCEROL
著者Cho, H.Y, Choi, Y.S, Kang, B.S.
登録日2015-05-03
公開日2016-06-01
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Symmetric Assembly of a Decameric Subcomplex in Human Multi-tRNA Synthetase Complex Via Interactions between Glutathione Transferase-Homology Domains and Aspartyl-tRNA Synthetase.
J.Mol.Biol., 2019
7EWD
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BU of 7ewd by Molmil
Mycobacterium tuberculosis HigA2 (Form II)
分子名称: Putative antitoxin HigA2
著者Kim, H.J.
登録日2021-05-25
公開日2022-03-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Chasing the structural diversity of the transcription regulator Mycobacterium tuberculosis HigA2.
Iucrj, 8, 2021
7EWE
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BU of 7ewe by Molmil
Mycobacterium tuberculosis HigA2 (Form III)
分子名称: Putative antitoxin HigA2
著者Kim, H.J.
登録日2021-05-25
公開日2022-03-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.41 Å)
主引用文献Chasing the structural diversity of the transcription regulator Mycobacterium tuberculosis HigA2.
Iucrj, 8, 2021
7EWC
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BU of 7ewc by Molmil
Mycobacterium tuberculosis HigA2 (Form I)
分子名称: Putative antitoxin HigA2
著者Kim, H.J.
登録日2021-05-25
公開日2022-03-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Chasing the structural diversity of the transcription regulator Mycobacterium tuberculosis HigA2.
Iucrj, 8, 2021
3RO5
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BU of 3ro5 by Molmil
Crystal structure of influenza A virus nucleoprotein with ligand
分子名称: Nucleocapsid protein, [4-(2-chloro-4-nitrophenyl)piperazin-1-yl][3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanone
著者Pearce, B.C, Edavettal, S, McDonnell, P.A, Lewis, H.A, Steinbacher, S, Baldwin, E.T, Langley, D.R, Maskos, K, Mortl, M, Kiefersauer, R.
登録日2011-04-25
公開日2011-09-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Inhibition of influenza virus replication via small molecules that induce the formation of higher-order nucleoprotein oligomers.
Proc.Natl.Acad.Sci.USA, 108, 2011
3B23
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BU of 3b23 by Molmil
Crystal structure of thrombin-variegin complex: Insights of a novel mechanism of inhibition and design of tunable thrombin inhibitors
分子名称: Thrombin heavy chain, Thrombin light chain, Variegin
著者Koh, C.Y, Kumar, S, Swaminathan, K, Kini, R.M.
登録日2011-07-20
公開日2011-11-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of thrombin in complex with s-variegin: insights of a novel mechanism of inhibition and design of tunable thrombin inhibitors
Plos One, 6, 2011
2WZX
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BU of 2wzx by Molmil
AMP-C BETA-LACTAMASE (PSEUDOMONAS AERUGINOSA)IN COMPLEX WITH compound M-02
分子名称: (3R)-1-[(4S)-azepan-4-ylcarbamoyl]-3-(sulfoamino)-L-proline, BETA-LACTAMASE, CHLORIDE ION
著者Fitzgerald, P.M.D, Sharma, N, Lu, J.
登録日2009-12-03
公開日2010-01-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Side Chain Sar of Bicyclic Beta-Lactamase Inhibitors (Blis). 1. Discovery of a Class C Bli for Combination with Imipinem.
Bioorg.Med.Chem.Lett., 20, 2010
4E37
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BU of 4e37 by Molmil
Crystal Structure of P. aeruginosa catalase, KatA tetramer
分子名称: Catalase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROTOPORPHYRIN IX CONTAINING FE
著者VanderWielen, B.D, Wilson, J.J, Kovall, R.A.
登録日2012-03-09
公開日2013-03-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献KatA, the Major Catalase in Pseudomonas aeruginosa, Assists in Protecting Anaerobic Bacteria From Metabolic and Exogenous Nitric Oxide
To be Published
4RCP
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BU of 4rcp by Molmil
Crystal structure of Plk1 Polo-box domain in complex with PL-2
分子名称: 1,2-ETHANEDIOL, PL-2, Serine/threonine-protein kinase PLK1
著者Lee, W.C, Song, J.H, Kim, H.Y.
登録日2014-09-16
公開日2014-11-12
最終更新日2015-01-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A new class of peptidomimetics targeting the polo-box domain of polo-like kinase 1.
J.Med.Chem., 58, 2015
3ZHK
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BU of 3zhk by Molmil
The crystal structure of single domain antibody 2x1 scaffold
分子名称: MG2X1 SCAFFOLD ANTIBODY, SULFATE ION
著者Song, H.-N, Woo, E.-J, Lim, H.-K.
登録日2012-12-22
公開日2014-01-08
最終更新日2014-07-16
実験手法X-RAY DIFFRACTION (1.962 Å)
主引用文献Directed Evolution of Human Heavy Chain Variable Domain (Vh) Using in Vivo Protein Fitness Filter.
Plos One, 9, 2014
3ZHD
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BU of 3zhd by Molmil
The crystal structure of single domain antibody 8-4 scaffold.
分子名称: MG8-4 SCAFFOLD ANTIBODY, SULFATE ION
著者Song, H.-N, Woo, E.-J, Lim, H.-K.
登録日2012-12-21
公開日2014-01-08
最終更新日2014-07-16
実験手法X-RAY DIFFRACTION (1.962 Å)
主引用文献Directed Evolution of Human Heavy Chain Variable Domain (Vh) Using in Vivo Protein Fitness Filter.
Plos One, 9, 2014
3ZHL
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BU of 3zhl by Molmil
The crystal structure of single domain antibody 8-14 scaffold
分子名称: GLYCEROL, MG8-14 SCAFFOLD ANTIBODY
著者Song, H.-N, Woo, E.-J, Lim, H.-K.
登録日2012-12-22
公開日2014-01-08
最終更新日2014-07-16
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Directed Evolution of Human Heavy Chain Variable Domain (Vh) Using in Vivo Protein Fitness Filter.
Plos One, 9, 2014
5I0B
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BU of 5i0b by Molmil
Structure of PAK4
分子名称: 6-bromo-2-[1-methyl-3-(propan-2-yl)-1H-pyrazol-4-yl]-1H-imidazo[4,5-b]pyridine, Serine/threonine-protein kinase PAK 4
著者Park, S.Y.
登録日2016-02-03
公開日2016-12-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.09 Å)
主引用文献The discovery and the structural basis of an imidazo[4,5-b]pyridine-based p21-activated kinase 4 inhibitor
Bioorg. Med. Chem. Lett., 26, 2016
4MKC
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BU of 4mkc by Molmil
Crystal Structure of Anaplastic Lymphoma Kinase Complexed with LDK378
分子名称: 5-chloro-N~2~-[5-methyl-4-(piperidin-4-yl)-2-(propan-2-yloxy)phenyl]-N~4~-[2-(propan-2-ylsulfonyl)phenyl]pyrimidine-2,4-diamine, ALK tyrosine kinase receptor, GLYCEROL
著者Lee, C.C, Spraggon, G.
登録日2013-09-04
公開日2014-04-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献The ALK Inhibitor Ceritinib Overcomes Crizotinib Resistance in Non-Small Cell Lung Cancer.
Cancer Discov, 4, 2014
3II5
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BU of 3ii5 by Molmil
The Complex of wild-type B-RAF with Pyrazolo pyrimidine inhibitor
分子名称: B-Raf proto-oncogene serine/threonine-protein kinase, N-[3-(3-{4-[(dimethylamino)methyl]phenyl}pyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide, PHOSPHATE ION
著者Xu, W, Breger, D, Torres, N, Dutia, M, Powell, D, Ciszewski, G.
登録日2009-07-31
公開日2009-11-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Non-hinge-binding pyrazolo[1,5-a]pyrimidines as potent B-Raf kinase inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
5GV5
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BU of 5gv5 by Molmil
Crystal structure of Candida antarctica Lipase B with active Ser105 modified with a phosphonate inhibitor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Lipase B, ...
著者Park, S.Y, Lee, H.
登録日2016-09-02
公開日2017-09-13
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Structural and Experimental Evidence for the Enantiomeric Recognition toward a Bulky sec-Alcohol by Candida antarctica Lipase B
Acs Catalysis, 6, 2016
7BZL
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BU of 7bzl by Molmil
GH127 beta-L-arabinofuranosidase HypBA1 covalently complexed with beta-L-arabinofuranose-configured cyclophellitol
分子名称: (1S,2S,3R,4R)-3-(hydroxymethyl)cyclopentane-1,2,4-triol, Non-reducing end beta-L-arabinofuranosidase, ZINC ION
著者Amaki, S, McGregor, N.G.S, Arakawa, T, Yamada, C, Borlandelli, V, Overkleeft, H.S, Davies, G.J, Fushinobu, S.
登録日2020-04-28
公開日2021-01-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Cysteine Nucleophiles in Glycosidase Catalysis: Application of a Covalent beta-l-Arabinofuranosidase Inhibitor.
Angew.Chem.Int.Ed.Engl., 60, 2021
5IHC
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BU of 5ihc by Molmil
MELK in complex with NVS-MELK12B
分子名称: 4-[1-(2-fluorophenyl)-1H-pyrazol-4-yl]-3-[(piperidin-4-yl)methoxy]pyridine, Maternal embryonic leucine zipper kinase
著者Sprague, E.R, Brazell, T.
登録日2016-02-29
公開日2016-06-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight.
J.Med.Chem., 59, 2016
5IHA
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BU of 5iha by Molmil
MELK in complex with NVS-MELK8F
分子名称: 1-methyl-4-(4-{4-[3-(2-methylpropoxy)pyridin-4-yl]-1H-pyrazol-1-yl}phenyl)piperazine, Maternal embryonic leucine zipper kinase
著者Sprague, E.R, Brazell, T.
登録日2016-02-29
公開日2016-06-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight.
J.Med.Chem., 59, 2016
5IH8
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BU of 5ih8 by Molmil
MELK in complex with NVS-MELK1
分子名称: Maternal embryonic leucine zipper kinase, N-[(pyridin-2-yl)methyl]-4-[4-(pyridin-4-yl)-1H-pyrazol-1-yl]benzamide
著者Sprague, E.R, Puleo, D.E.
登録日2016-02-29
公開日2016-06-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight.
J.Med.Chem., 59, 2016
5IH9
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BU of 5ih9 by Molmil
MELK in complex with NVS-MELK8A
分子名称: 1-methyl-4-[4-(4-{3-[(piperidin-4-yl)methoxy]pyridin-4-yl}-1H-pyrazol-1-yl)phenyl]piperazine, Maternal embryonic leucine zipper kinase
著者Sprague, E.R, Puleo, D.E.
登録日2016-02-29
公開日2016-06-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight.
J.Med.Chem., 59, 2016
5YC1
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BU of 5yc1 by Molmil
TRAF4_GPIb complex
分子名称: GPIb peptide, TNF receptor-associated factor 4
著者Park, H.H, Kim, C.M.
登録日2017-09-06
公開日2017-10-11
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.506 Å)
主引用文献Molecular basis for unique specificity of human TRAF4 for platelets GPIb beta and GPVI
Proc. Natl. Acad. Sci. U.S.A., 114, 2017

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