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6J7N
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BU of 6j7n by Molmil
Crystal structure of toxin TglT (unusual type guanylyltransferase-like toxin, Rv1045) mutant D82A co-expressed with TakA from Mycobacterium tuberculosis
Descriptor: MAGNESIUM ION, guanylyltransferase-like toxin
Authors:Yu, X, Gao, X, Zhu, K, Wojdyla, J.A, Wang, M, Cui, S.
Deposit date:2019-01-18
Release date:2020-05-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.294 Å)
Cite:Characterization of a toxin-antitoxin system in Mycobacterium tuberculosis suggests neutralization by phosphorylation as the antitoxicity mechanism.
Commun Biol, 3, 2020
6J7S
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BU of 6j7s by Molmil
Crystal structure of toxin TglT (unusual type guanylyltransferase-like toxin, Rv1045) wild type protein from Mycobacterium tuberculosis
Descriptor: MAGNESIUM ION, guanylyltransferase-like toxin
Authors:Yu, X, Gao, X, Zhu, K, Wojdyla, J.A, Wang, M, Cui, S.
Deposit date:2019-01-18
Release date:2020-05-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.102 Å)
Cite:Characterization of a toxin-antitoxin system in Mycobacterium tuberculosis suggests neutralization by phosphorylation as the antitoxicity mechanism.
Commun Biol, 3, 2020
6J7P
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BU of 6j7p by Molmil
Crystal structure of toxin TglT (unusual type guanylyltransferase-like toxin, Rv1045) mutant E146Q co-expressed with TakA from Mycobacterium tuberculosis
Descriptor: MAGNESIUM ION, guanylyltransferase-like toxin
Authors:Yu, X, Gao, X, Zhu, K, Wojdyla, J.A, Wang, M, Cui, S.
Deposit date:2019-01-18
Release date:2020-05-13
Last modified:2020-05-20
Method:X-RAY DIFFRACTION (2.629 Å)
Cite:Characterization of a toxin-antitoxin system in Mycobacterium tuberculosis suggests neutralization by phosphorylation as the antitoxicity mechanism.
Commun Biol, 3, 2020
6J5E
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BU of 6j5e by Molmil
Crystal structure of HIV-1 fusion inhibitor SC29EK complexed with gp41 NHR (N44)
Descriptor: Envelope glycoprotein, SC29EK
Authors:Liu, Z.X, Geng, X.Z, Qin, B, Cui, S.
Deposit date:2019-01-10
Release date:2020-01-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Crystal structure of HIV-1 fusion inhibitor SC29EK complexed with gp41 NHR (N44)
To Be Published
6J7Q
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BU of 6j7q by Molmil
Crystal structure of toxin TglT (unusual type guanylyltransferase-like toxin, Rv1045) mutant S78A from Mycobacterium tuberculosis
Descriptor: CALCIUM ION, MAGNESIUM ION, guanylyltransferase-like toxin
Authors:Yu, X, Gao, X, Zhu, K, Wojdyla, J.A, Wang, M, Cui, S.
Deposit date:2019-01-18
Release date:2020-05-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Characterization of a toxin-antitoxin system in Mycobacterium tuberculosis suggests neutralization by phosphorylation as the antitoxicity mechanism.
Commun Biol, 3, 2020
6M40
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BU of 6m40 by Molmil
Crystal structure of the NS3-like helicase from Alongshan virus
Descriptor: NS3-like protein
Authors:Gao, X.P, Zhu, K.X, Chen, P, Wojdyla, J.A, Wang, M, Cui, S.
Deposit date:2020-03-05
Release date:2020-04-08
Last modified:2020-06-03
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Crystal structure of the NS3-like helicase from Alongshan virus.
Iucrj, 7, 2020
6KZC
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BU of 6kzc by Molmil
crystal structure of TRKc in complex with 3-(imidazo[1,2-a]pyrazin-3-ylethynyl)-2-methyl-N-(3-((4- methylpiperazin-1-yl)methyl)-5- (trifluoromethyl)phenyl)benzamide
Descriptor: 3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-2-methyl-~{N}-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide, NT-3 growth factor receptor
Authors:Zhang, Z.M, Wang, Y.
Deposit date:2019-09-23
Release date:2019-10-09
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design, synthesis and biological evaluation of 3-(imidazo[1,2-a]pyrazin-3-ylethynyl)-2-methylbenzamides as potent and selective pan-tropomyosin receptor kinase (TRK) inhibitors.
Eur.J.Med.Chem., 179, 2019
6KZD
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BU of 6kzd by Molmil
Crystal structure of TRKc in complex with 3-((6-(4-aminophenyl)imidazo[1,2-a]pyrazin-3-yl)ethynyl)- N-(3-isopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-2- methylbenzamide
Descriptor: 3-[2-[6-(4-aminophenyl)imidazo[1,2-a]pyrazin-3-yl]ethynyl]-2-methyl-~{N}-[3-(4-methylpiperazin-1-yl)-5-propan-2-yl-phenyl]benzamide, NT-3 growth factor receptor, PHOSPHATE ION
Authors:Wang, Y, Zhang, Z.M.
Deposit date:2019-09-23
Release date:2019-10-09
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.708 Å)
Cite:Design, synthesis and biological evaluation of 3-(imidazo[1,2-a]pyrazin-3-ylethynyl)-2-methylbenzamides as potent and selective pan-tropomyosin receptor kinase (TRK) inhibitors.
Eur.J.Med.Chem., 179, 2019
6JIJ
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BU of 6jij by Molmil
The Crystal Structure of Main Protease from Mouse Hepatitis Virus A59 in Complex with an inhibitor
Descriptor: 02J-ALA-VAL-LEU-PJE-010, Replicative polyprotein 1ab
Authors:Cui, W, Cui, S.S.
Deposit date:2019-02-21
Release date:2019-04-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:The crystal structure of main protease from mouse hepatitis virus A59 in complex with an inhibitor.
Biochem. Biophys. Res. Commun., 511, 2019
6GWR
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BU of 6gwr by Molmil
Structure of the kinase domain of human DDR1 in complex with a potent and selective inhibitor of DDR1 and DDR2
Descriptor: 1,2-ETHANEDIOL, 3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-~{N}-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-propan-2-yl-benzamide, Epithelial discoidin domain-containing receptor 1, ...
Authors:Pinkas, D.M, Fox, A.E, Kupinska, K, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N.
Deposit date:2018-06-25
Release date:2018-08-08
Last modified:2018-09-26
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Design, Synthesis, and Biological Evaluation of 3-(Imidazo[1,2- a]pyrazin-3-ylethynyl)-4-isopropyl- N-(3-((4-methylpiperazin-1-yl)methyl)-5-(trifluoromethyl)phenyl)benzamide as a Dual Inhibitor of Discoidin Domain Receptors 1 and 2.
J. Med. Chem., 61, 2018
7W2I
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BU of 7w2i by Molmil
Crystal structure of LOG (Rv1205) from Mycobacterium tuberculosis
Descriptor: 1,2-ETHANEDIOL, Cytokinin riboside 5'-monophosphate phosphoribohydrolase, DI(HYDROXYETHYL)ETHER, ...
Authors:Shang, L, Zhang, G.
Deposit date:2021-11-23
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the cytokinin-producing enzyme "lonely guy" (LOG) from Mycobacterium tuberculosis.
Biochem.Biophys.Res.Commun., 598, 2022
4ON9
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BU of 4on9 by Molmil
DECH box helicase domain
Descriptor: CHLORIDE ION, Probable ATP-dependent RNA helicase DDX58, SULFATE ION
Authors:Deimling, T, Witte, G, Hopfner, K.P.
Deposit date:2014-01-28
Release date:2014-07-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Crystal and solution structure of the human RIG-I SF2 domain
Acta Crystallogr.,Sect.F, 70, 2014
5YC0
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BU of 5yc0 by Molmil
Crystal structure of LP-46/N44
Descriptor: Envelope glycoprotein, LP-46
Authors:Zhang, X, Wang, X, He, Y.
Deposit date:2017-09-05
Release date:2018-02-14
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Exceptional potency and structural basis of a T1249-derived lipopeptide fusion inhibitor against HIV-1, HIV-2, and simian immunodeficiency virus
J. Biol. Chem., 293, 2018
5ZCX
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BU of 5zcx by Molmil
Structure of T20/N39
Descriptor: Envelope glycoprotein, Envelope glycoprotein gp160
Authors:Zhang, X.J, Ding, X.H.
Deposit date:2018-02-21
Release date:2018-10-10
Last modified:2018-12-19
Method:X-RAY DIFFRACTION (2.299 Å)
Cite:Structural and functional characterization of HIV-1 cell fusion inhibitor T20.
AIDS, 33, 2019
6KTS
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BU of 6kts by Molmil
Structure of C34N126K/N36
Descriptor: Envelope glycoprotein, Glycoprotein 41
Authors:Yu, D.W, Qin, B.
Deposit date:2019-08-28
Release date:2020-09-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural and Functional Characterization of the Secondary Mutation N126K Selected by Various HIV-1 Fusion Inhibitors.
Viruses, 12, 2020
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