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8C89
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SARS-CoV-2 spike in complex with the 17T2 neutralizing antibody Fab fragment (local refinement of RBD and Fab)
分子名称: 17T2 Fab heavy chain, 17T2 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Modrego, A, Carlero, D, Bueno-Carrasco, M.T, Santiago, C, Carolis, C, Arranz, R, Blanco, J, Magri, G.
登録日2023-01-19
公開日2024-01-10
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (4.41 Å)
主引用文献A monoclonal antibody targeting a large surface of the receptor binding motif shows pan-neutralizing SARS-CoV-2 activity.
Nat Commun, 15, 2024
4P78
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BU of 4p78 by Molmil
HicA3 and HicB3 toxin-antitoxin complex
分子名称: GLYCEROL, HicA3 Toxin, HicB3 antitoxin
著者Li de la Sierra-Gallay, I, Bibi-Triki, S, van Tilbeurgh, H, Lazar, N, Pradel, E.
登録日2014-03-26
公開日2014-08-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Functional and Structural Analysis of HicA3-HicB3, a Novel Toxin-Antitoxin System of Yersinia pestis.
J.Bacteriol., 196, 2014
4P7D
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BU of 4p7d by Molmil
Antitoxin HicB3 crystal structure
分子名称: Antitoxin HicB3, CHLORIDE ION
著者Li de la Sierra-Gallay, I, Bibi-Triki, S, van Tilbeurgh, H, Lazar, N, Pradel, E.
登録日2014-03-27
公開日2014-08-27
最終更新日2015-02-04
実験手法X-RAY DIFFRACTION (2.781 Å)
主引用文献Functional and Structural Analysis of HicA3-HicB3, a Novel Toxin-Antitoxin System of Yersinia pestis.
J.Bacteriol., 196, 2014
5DRQ
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BU of 5drq by Molmil
Crystal structure of the Pseudomonas aeruginosa LpxC/LPC-040 complex
分子名称: N-[(2S)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzamide, NITRATE ION, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ...
著者Lee, C.-J, Najeeb, J, Zhou, P.
登録日2015-09-16
公開日2016-03-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Drug design from the cryptic inhibitor envelope.
Nat Commun, 7, 2016
7PP4
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BU of 7pp4 by Molmil
Cryo-EM structure of Mycobacterium tuberculosis RNA polymerase holoenzyme comprising sigma factor SigB
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Brodolin, K.
登録日2021-09-13
公開日2022-09-21
実験手法ELECTRON MICROSCOPY (3.84 Å)
主引用文献Structural basis of the mycobacterial stress-response RNA polymerase auto-inhibition via oligomerization
Biorxiv, 2022
7Q59
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BU of 7q59 by Molmil
Cryo-EM structure of Mycobacterium tuberculosis RNA polymerase holoenzyme dimer comprising sigma factor SigB
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Brodolin, K.
登録日2021-11-03
公開日2022-11-16
最終更新日2023-02-08
実験手法ELECTRON MICROSCOPY (4.36 Å)
主引用文献Structural basis of the mycobacterial stress-response RNA polymerase auto-inhibition via oligomerization
Nat Commun, 14, 2023
6IYI
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BU of 6iyi by Molmil
X-ray sequence and high resolution crystal structure of Starry sturgeon methemoglobin
分子名称: Alpha chain, Beta chain, GLYCEROL, ...
著者Seyedarabi, A.
登録日2018-12-16
公開日2019-04-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Novel X-ray sequences and crystal structures of Persian and Starry sturgeon methemoglobins: Highlighting the role of heme pocket waters in causing autoxidation.
Biochim Biophys Acta Proteins Proteom, 1867, 2019
7KLI
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BU of 7kli by Molmil
Crystal Structure of Enoyl-[acyl-carrier-protein] reductase [NADH] (InhA) from Mycobacterium abscessus
分子名称: 1,2-ETHANEDIOL, Enoyl-[acyl-carrier-protein] reductase [NADH], SULFATE ION
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2020-10-30
公開日2020-11-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Efficacy and Mode of Action of a Direct Inhibitor of Mycobacterium abscessus InhA.
Acs Infect Dis., 8, 2022
7K73
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BU of 7k73 by Molmil
Structure of Enoyl-[acyl-carrier-protein] reductase [NADH] from Mycobacterium fortuitum bound to NAD
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Enoyl-[acyl-carrier-protein] reductase [NADH], ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2020-09-22
公開日2020-10-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献In Vitro and In Vivo Efficacy of NITD-916 against Mycobacterium fortuitum.
Antimicrob.Agents Chemother., 2023
6IYH
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X-ray sequence and high resolution crystal structure of Persian sturgeon methemoglobin
分子名称: Alpha chain, Beta chain, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Seyedarabi, A.
登録日2018-12-16
公開日2019-04-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Novel X-ray sequences and crystal structures of Persian and Starry sturgeon methemoglobins: Highlighting the role of heme pocket waters in causing autoxidation
Biochim Biophys Acta Proteins Proteom, 1867, 2019
6T8D
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BU of 6t8d by Molmil
The cytotoxin MakB from Vibrio cholerae
分子名称: MakB, SULFATE ION
著者Persson, K, Nagampalli, R.
登録日2019-10-24
公開日2020-11-18
最終更新日2021-12-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A tripartite cytolytic toxin formed by Vibrio cholerae proteins with flagellum-facilitated secretion.
Proc.Natl.Acad.Sci.USA, 118, 2021
6TAO
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BU of 6tao by Molmil
The cytotoxin MakE from Vibrio cholerae
分子名称: NICKEL (II) ION, Non-hemolytic enterotoxin lytic component L1, SULFATE ION
著者Persson, K, Nagampalli, R, Heidler, T, Wai, S.N.
登録日2019-10-30
公開日2020-11-18
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献A tripartite cytolytic toxin formed by Vibrio cholerae proteins with flagellum-facilitated secretion.
Proc.Natl.Acad.Sci.USA, 118, 2021
7L6C
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BU of 7l6c by Molmil
Crystal Structure of Enoyl-[acyl-carrier-protein] reductase InhA from Mycobacterium abscessus in complex with NAD
分子名称: 1,2-ETHANEDIOL, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2020-12-23
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Efficacy and Mode of Action of a Direct Inhibitor of Mycobacterium abscessus InhA.
Acs Infect Dis., 8, 2022
2X6D
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BU of 2x6d by Molmil
Aurora-A bound to an inhibitor
分子名称: 6-BROMO-7-[4-(4-CHLOROBENZYL)PIPERAZIN-1-YL]-2-[4-(MORPHOLIN-4-YLMETHYL)PHENYL]-3H-IMIDAZO[4,5-B]PYRIDINE, SERINE/THREONINE-PROTEIN KINASE 6, SULFATE ION
著者Kosmopoulou, M, Bayliss, R.
登録日2010-02-17
公開日2010-07-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.796 Å)
主引用文献Imidazo[4,5-b]pyridine derivatives as inhibitors of Aurora kinases: lead optimization studies toward the identification of an orally bioavailable preclinical development candidate.
J. Med. Chem., 53, 2010
2X6E
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BU of 2x6e by Molmil
Aurora-A bound to an inhibitor
分子名称: 6-BROMO-7-{4-[(5-METHYLISOXAZOL-3-YL)METHYL]PIPERAZIN-1-YL}-2-[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]-1H-IMIDAZO[4,5-B]PYRIDINE, SERINE/THREONINE-PROTEIN KINASE 6
著者Kosmopoulou, M, Bayliss, R.
登録日2010-02-17
公開日2010-07-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献Imidazo[4,5-b]pyridine derivatives as inhibitors of Aurora kinases: lead optimization studies toward the identification of an orally bioavailable preclinical development candidate.
J. Med. Chem., 53, 2010
2XBJ
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BU of 2xbj by Molmil
Crystal Structure of Chk2 in complex with an inhibitor
分子名称: 4-FLUORO-2-(4-{[(3S,4R)-4-(1-HYDROXY-1-METHYLETHYL)PYRROLIDIN-3-YL]AMINO}-6,7-DIMETHOXYQUINAZOLIN-2-YL)PHENOL, MAGNESIUM ION, NITRATE ION, ...
著者Anderson, V.E, Walton, M.I, Eve, P.D, Caldwell, J.J, Pearl, L.H, Oliver, A.W, Collins, I, Garrett, M.D.
登録日2010-04-12
公開日2011-01-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-Based Design of Potent and Selective 2-(Quinazolin-2-Yl)Phenol Inhibitors of Checkpoint Kinase 2.
J.Med.Chem., 54, 2011
5U86
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BU of 5u86 by Molmil
Structure of the Aquifex aeolicus LpxC/LPC-069 complex
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, N-[(2S,3S)-4,4-difluoro-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-({4-[(morpholin-4-yl)methyl]phenyl}ethynyl)benzamide, ...
著者Najeeb, J, Lee, C.-J, Zhou, P.
登録日2016-12-13
公開日2017-08-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Curative Treatment of Severe Gram-Negative Bacterial Infections by a New Class of Antibiotics Targeting LpxC.
MBio, 8, 2017
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