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7AKG
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BU of 7akg by Molmil
Crystal structure of STK17B with bound dovitinib
Descriptor: 1,2-ETHANEDIOL, 4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one, Serine/threonine-protein kinase 17B
Authors:Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-09-30
Release date:2020-12-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:A Chemical Probe for Dark Kinase STK17B Derives Its Potency and High Selectivity through a Unique P-Loop Conformation.
J.Med.Chem., 63, 2020
4EQ8
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BU of 4eq8 by Molmil
Crystal structure of PA1844 from Pseudomonas aeruginosa PAO1
Descriptor: GLYCEROL, Putative uncharacterized protein
Authors:Shang, G, Li, N, Zhang, J, Lu, D, Yu, Q, Zhao, Y, Liu, X, Xu, S, Gu, L.
Deposit date:2012-04-18
Release date:2012-09-12
Last modified:2013-07-24
Method:X-RAY DIFFRACTION (1.392 Å)
Cite:Structural insight into how Pseudomonas aeruginosa peptidoglycanhydrolase Tse1 and its immunity protein Tsi1 function.
Biochem.J., 448, 2012
4EQA
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BU of 4eqa by Molmil
Crystal structure of PA1844 in complex with PA1845 from Pseudomonas aeruginosa PAO1
Descriptor: Putative uncharacterized protein
Authors:Shang, G, Li, N, Zhang, J, Lu, D, Yu, Q, Zhao, Y, Liu, X, Xu, S, Gu, L.
Deposit date:2012-04-18
Release date:2012-09-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural insight into how Pseudomonas aeruginosa peptidoglycanhydrolase Tse1 and its immunity protein Tsi1 function.
Biochem.J., 448, 2012
5UHF
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BU of 5uhf by Molmil
Crystal structure of Mycobacterium tuberculosis transcription initiation complex in complex with D-IX336
Descriptor: DNA (5'-D(*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*CP*AP*GP*G)-3'), DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*G)-3'), DNA-directed RNA polymerase subunit alpha, ...
Authors:Lin, W, Das, K, Feng, Y, Ebright, R.H.
Deposit date:2017-01-11
Release date:2017-04-12
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (4.345 Å)
Cite:Structural Basis of Mycobacterium tuberculosis Transcription and Transcription Inhibition.
Mol. Cell, 66, 2017
7T9V
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BU of 7t9v by Molmil
Crystal structure of hSTING with the agonist, SHR171032
Descriptor: (3S,4S)-4-(3-{5-carbamoyl-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-7-methoxy-1H-benzimidazol-1-yl}propyl)-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-4,5-dihydroimidazo[1,5,4-de][1,4]benzoxazine-8-carboxamide, CALCIUM ION, Stimulator of interferon genes protein
Authors:Chowdhury, R, Miller, M.
Deposit date:2021-12-20
Release date:2022-12-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:SHR1032, a novel STING agonist, stimulates anti-tumor immunity and directly induces AML apoptosis.
Sci Rep, 12, 2022
7T9U
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BU of 7t9u by Molmil
Crystal structure of hSTING with an agonist (SHR169224)
Descriptor: (3S,4S)-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-4-(prop-2-en-1-yl)-4,5-dihydroimidazo[1,5,4-de][1,4]benzoxazine-8-carboxamide, CALCIUM ION, Stimulator of interferon genes protein
Authors:Chowdhury, R, Miller, M.
Deposit date:2021-12-20
Release date:2022-12-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:SHR1032, a novel STING agonist, stimulates anti-tumor immunity and directly induces AML apoptosis.
Sci Rep, 12, 2022
5UHG
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BU of 5uhg by Molmil
Crystal structure of Mycobacterium tuberculosis transcription initiation complex in complex with D-AAP1 and Rifampin
Descriptor: DNA (5'-D(*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*CP*AP*GP*G)-3'), DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*G)-3'), DNA-directed RNA polymerase subunit alpha, ...
Authors:Lin, W, Das, K, Feng, Y, Ebright, R.H.
Deposit date:2017-01-11
Release date:2017-04-12
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (3.971 Å)
Cite:Structural Basis of Mycobacterium tuberculosis Transcription and Transcription Inhibition.
Mol. Cell, 66, 2017
5UH6
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BU of 5uh6 by Molmil
Crystal structure of Mycobacterium tuberculosis transcription initiation complex containing 2ntRNA in complex with Rifampin
Descriptor: DNA (5'-D(*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*CP*AP*GP*G)-3'), DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*G)-3'), DNA-directed RNA polymerase subunit alpha, ...
Authors:Lin, W, Das, K, Feng, Y, Ebright, R.H.
Deposit date:2017-01-11
Release date:2017-04-12
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (3.837 Å)
Cite:Structural Basis of Mycobacterium tuberculosis Transcription and Transcription Inhibition.
Mol. Cell, 66, 2017
5UH8
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BU of 5uh8 by Molmil
Crystal structure of Mycobacterium tuberculosis transcription initiation complex containing 4nt RNA
Descriptor: DNA (5'-D(*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*GP*AP*GP*G)-3'), DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*G)-3'), DNA-directed RNA polymerase subunit alpha, ...
Authors:Lin, W, Das, K, Feng, Y, Ebright, R.H.
Deposit date:2017-01-11
Release date:2017-04-12
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (4.176 Å)
Cite:Structural Basis of Mycobacterium tuberculosis Transcription and Transcription Inhibition.
Mol. Cell, 66, 2017
5UH9
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BU of 5uh9 by Molmil
Crystal structure of Mycobacterium tuberculosis transcription initiation complex containing 2nt RNA
Descriptor: DNA (5'-D(*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*CP*AP*GP*G)-3'), DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*G)-3'), DNA-directed RNA polymerase subunit alpha, ...
Authors:Lin, W, Das, K, Feng, Y, Ebright, R.H.
Deposit date:2017-01-11
Release date:2017-04-12
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (4.402 Å)
Cite:Structural Basis of Mycobacterium tuberculosis Transcription and Transcription Inhibition.
Mol. Cell, 66, 2017
5UHE
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BU of 5uhe by Molmil
Crystal structure of Mycobacterium tuberculosis transcription initiation complex in complex with D-AAP1
Descriptor: DNA (5'-D(*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*CP*AP*GP*G)-3'), DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*G)-3'), DNA-directed RNA polymerase subunit alpha, ...
Authors:Lin, W, Das, K, Feng, Y, Ebright, R.H.
Deposit date:2017-01-11
Release date:2017-04-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (4.039 Å)
Cite:Structural Basis of Mycobacterium tuberculosis Transcription and Transcription Inhibition.
Mol. Cell, 66, 2017
5UH7
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BU of 5uh7 by Molmil
Crystal structure of beta'MtbSI of Mycobacterium tuberculosis RNA polymerase
Descriptor: DNA-directed RNA polymerase subunit beta'
Authors:Lin, W, Das, K, Feng, Y, Ebright, R.H.
Deposit date:2017-01-11
Release date:2017-04-12
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.199 Å)
Cite:Structural Basis of Mycobacterium tuberculosis Transcription and Transcription Inhibition.
Mol. Cell, 66, 2017
5UHD
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BU of 5uhd by Molmil
Crystal structure of Mycobacterium tuberculosis transcription initiation complex containing 4nt RNA in complex with Rifampin
Descriptor: DNA (5'-D(*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*GP*AP*GP*G)-3'), DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*G)-3'), DNA-directed RNA polymerase subunit alpha, ...
Authors:Lin, W, Das, K, Feng, Y, Ebright, R.H.
Deposit date:2017-01-11
Release date:2017-04-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (4.01 Å)
Cite:Structural Basis of Mycobacterium tuberculosis Transcription and Transcription Inhibition.
Mol. Cell, 66, 2017
5UH5
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BU of 5uh5 by Molmil
Crystal structure of Mycobacterium tuberculosis transcription initiation complex containing 3 nt of RNA
Descriptor: DNA (5'-D(*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*CP*AP*GP*G)-3'), DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*G)-3'), DNA-directed RNA polymerase subunit alpha, ...
Authors:Lin, W, Das, K, Feng, Y, Ebright, R.H.
Deposit date:2017-01-10
Release date:2017-04-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.746 Å)
Cite:Structural Basis of Mycobacterium tuberculosis Transcription and Transcription Inhibition.
Mol. Cell, 66, 2017
5UHC
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BU of 5uhc by Molmil
Crystal structure of Mycobacterium tuberculosis transcription initiation complex containing 3nt RNA in complex with Rifampin
Descriptor: DNA (5'-D(*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*CP*AP*GP*G)-3'), DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*G)-3'), DNA-directed RNA polymerase subunit alpha, ...
Authors:Lin, W, Das, K, Feng, Y, Ebright, R.H.
Deposit date:2017-01-11
Release date:2017-04-12
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (3.796 Å)
Cite:Structural Basis of Mycobacterium tuberculosis Transcription and Transcription Inhibition.
Mol. Cell, 66, 2017
6VC8
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BU of 6vc8 by Molmil
Crystal structure of wild-type KRAS4b(1-169) in complex with GMPPNP and Mg ion
Descriptor: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
Authors:Tran, T.H, Davies, D.R, Edwards, T.E, Simanshu, D.K.
Deposit date:2019-12-20
Release date:2021-02-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Machine learning-driven multiscale modeling reveals lipid-dependent dynamics of RAS signaling proteins.
Proc.Natl.Acad.Sci.USA, 119, 2022
5UHB
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BU of 5uhb by Molmil
Crystal structure of Mycobacterium tuberculosis transcription initiation complex in complex with Rifampin
Descriptor: DNA (5'-D(*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*GP*AP*GP*G)-3'), DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*G)-3'), DNA-directed RNA polymerase subunit alpha, ...
Authors:Lin, W, Das, K, Feng, Y, Ebright, R.H.
Deposit date:2017-01-11
Release date:2017-04-12
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (4.29 Å)
Cite:Structural Basis of Mycobacterium tuberculosis Transcription and Transcription Inhibition.
Mol. Cell, 66, 2017
5EHR
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BU of 5ehr by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor SHP099
Descriptor: 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Stams, T, Fodor, M.
Deposit date:2015-10-28
Release date:2016-06-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Allosteric inhibition of SHP2 phosphatase inhibits cancers driven by receptor tyrosine kinases.
Nature, 535, 2016
5UHA
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BU of 5uha by Molmil
Crystal structure of Mycobacterium tuberculosis transcription initiation complex
Descriptor: DNA (5'-D(*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*GP*AP*GP*G)-3'), DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*G)-3'), DNA-directed RNA polymerase subunit alpha, ...
Authors:Lin, W, Das, K, Feng, Y, Ebright, R.H.
Deposit date:2017-01-11
Release date:2017-04-12
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.906 Å)
Cite:Structural Basis of Mycobacterium tuberculosis Transcription and Transcription Inhibition.
Mol. Cell, 66, 2017
8IDN
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BU of 8idn by Molmil
Cryo-EM structure of RBD/E77-Fab complex
Descriptor: E77 Fab heavy chain, E77 Fab light chain, Spike protein S1, ...
Authors:Lu, D.F, Zhang, Z.C.
Deposit date:2023-02-13
Release date:2023-06-21
Last modified:2023-08-16
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:The structure of the RBD-E77 Fab complex reveals neutralization and immune escape of SARS-CoV-2.
Acta Crystallogr D Struct Biol, 79, 2023
5KJ0
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BU of 5kj0 by Molmil
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH DB-1-264-2
Descriptor: 1,2-ETHANEDIOL, 4-[[(7~{R})-8-cyclopentyl-7-ethyl-5-methyl-6-oxidanylidene-7~{H}-pteridin-2-yl]-methyl-amino]-3-methoxy-~{N}-(1-methylpiperidin-4-yl)benzamide, Bromodomain-containing protein 4
Authors:Zhu, J.-Y, Ember, S.W, Schonbrunn, E.
Deposit date:2016-06-17
Release date:2017-08-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Assessment of Bromodomain Target Engagement by a Series of BI2536 Analogues with Miniaturized BET-BRET.
ChemMedChem, 11, 2016
4WXX
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BU of 4wxx by Molmil
The crystal structure of human DNMT1(351-1600)
Descriptor: DNA (cytosine-5)-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION
Authors:Zhang, Z.M, Song, J.
Deposit date:2014-11-14
Release date:2015-07-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.622 Å)
Cite:Crystal Structure of Human DNA Methyltransferase 1.
J.Mol.Biol., 427, 2015
4TQ4
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BU of 4tq4 by Molmil
Structure of a UbiA homolog from Archaeoglobus fulgidus bound to DMAPP and Mg2+
Descriptor: DIMETHYLALLYL DIPHOSPHATE, MAGNESIUM ION, prenyltransferase
Authors:Huang, H, Levin, E.J, Bai, Y, Zhou, M, New York Consortium on Membrane Protein Structure (NYCOMPS)
Deposit date:2014-06-10
Release date:2014-07-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5025 Å)
Cite:Structure of a Membrane-Embedded Prenyltransferase Homologous to UBIAD1.
Plos Biol., 12, 2014
4TQ3
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BU of 4tq3 by Molmil
Structure of a UbiA homolog from Archaeoglobus fulgidus bound to GPP and Mg2+
Descriptor: GERANYL DIPHOSPHATE, MAGNESIUM ION, Prenyltransferase
Authors:Huang, H, Levin, E.J, Bai, Y, Zhou, M, New York Consortium on Membrane Protein Structure (NYCOMPS)
Deposit date:2014-06-10
Release date:2014-07-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4076 Å)
Cite:Structure of a Membrane-Embedded Prenyltransferase Homologous to UBIAD1.
Plos Biol., 12, 2014
8HIF
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BU of 8hif by Molmil
One asymmetric unit of Singapore grouper iridovirus capsid
Descriptor: Major capsid protein, Penton protein (VP14), VP137, ...
Authors:Zhao, Z.N, Liu, C.C, Zhu, D.J, Qi, J.X, Zhang, X.Z, Gao, G.F.
Deposit date:2022-11-20
Release date:2023-04-19
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Near-atomic architecture of Singapore grouper iridovirus and implications for giant virus assembly.
Nat Commun, 14, 2023

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