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5DRR
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BU of 5drr by Molmil
Crystal structure of the Pseudomonas aeruginosa LpxC/LPC-058 complex
Descriptor: 4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3S)-4,4-difluoro-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide, NITRATE ION, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ...
Authors:Lee, C.-J, Najeeb, J, Zhou, P.
Deposit date:2015-09-16
Release date:2016-03-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Drug design from the cryptic inhibitor envelope.
Nat Commun, 7, 2016
5DRQ
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BU of 5drq by Molmil
Crystal structure of the Pseudomonas aeruginosa LpxC/LPC-040 complex
Descriptor: 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, ...
Authors:Lee, C.-J, Najeeb, J, Zhou, P.
Deposit date:2015-09-16
Release date:2016-03-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Drug design from the cryptic inhibitor envelope.
Nat Commun, 7, 2016
5DRO
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BU of 5dro by Molmil
Structure of the Aquifex aeolicus LpxC/LPC-011 Complex
Descriptor: 4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Lee, C.-J, Najeeb, J, Zhou, P.
Deposit date:2015-09-16
Release date:2016-03-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Drug design from the cryptic inhibitor envelope.
Nat Commun, 7, 2016
6U7J
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BU of 6u7j by Molmil
Uncultured Clostridium sp. Beta-glucuronidase
Descriptor: Beta-glucuronidase, CALCIUM ION
Authors:Ervin, S.M, Redinbo, M.R.
Deposit date:2019-09-03
Release date:2019-10-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Gut microbial beta-glucuronidases reactivate estrogens as components of the estrobolome that reactivate estrogens.
J.Biol.Chem., 294, 2019
6U7I
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BU of 6u7i by Molmil
Faecalibacterium prausnitzii Beta-glucuronidase
Descriptor: Beta-glucuronidase
Authors:Ervin, S.M, Redinbo, M.R.
Deposit date:2019-09-03
Release date:2019-10-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Gut microbial beta-glucuronidases reactivate estrogens as components of the estrobolome that reactivate estrogens.
J.Biol.Chem., 294, 2019
6VME
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BU of 6vme by Molmil
Human ESCRT-I heterotetramer headpiece
Descriptor: Multivesicular body subunit 12A, Tumor susceptibility gene 101 protein, Vacuolar protein sorting-associated protein 28 homolog, ...
Authors:Flower, T.G, Hurley, J.H, Tjahjono, N.
Deposit date:2020-01-27
Release date:2020-05-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:A helical assembly of human ESCRT-I scaffolds reverse-topology membrane scission.
Nat.Struct.Mol.Biol., 27, 2020
5W0E
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BU of 5w0e by Molmil
CREBBP bromodomain in complex with Cpd19 (3-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-N-methyl-1-(tetrahydro-2H-pyran-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide)
Descriptor: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide, CREB-binding protein
Authors:Murray, J.M.
Deposit date:2017-05-30
Release date:2018-02-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:A Unique Approach to Design Potent and Selective Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP) Inhibitors.
J. Med. Chem., 60, 2017
6L6L
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BU of 6l6l by Molmil
Structural basis of NR4A2 homodimers binding to selective Nur-responsive elements
Descriptor: DNA (5'-D(*AP*AP*AP*GP*GP*TP*CP*AP*AP*AP*CP*TP*GP*TP*GP*AP*CP*CP*TP*AP*T)-3'), DNA (5'-D(P*TP*AP*TP*AP*GP*GP*TP*CP*AP*CP*AP*GP*TP*TP*TP*GP*AP*CP*CP*TP*T)-3'), Nuclear receptor related 1, ...
Authors:Jiang, L, Chen, Y.
Deposit date:2019-10-29
Release date:2019-11-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.781 Å)
Cite:Structural basis of binding of homodimers of the nuclear receptor NR4A2 to selective Nur-responsive DNA elements.
J.Biol.Chem., 294, 2019
6AY5
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BU of 6ay5 by Molmil
CREBBP bromodomain in complex with Cpd17 (5-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-3-methylbenzo[d]thiazol-2(3H)-one)
Descriptor: 5-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-3-methyl-1,3-benzothiazol-2(3H)-one, CREB-binding protein, DIMETHYL SULFOXIDE, ...
Authors:Murray, J.M.
Deposit date:2017-09-07
Release date:2018-02-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:A Unique Approach to Design Potent and Selective Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP) Inhibitors.
J. Med. Chem., 60, 2017
6L6Q
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BU of 6l6q by Molmil
Structural basis of NR4A2 homodimers binding to selective Nur-responsive elements
Descriptor: DNA (5'-D(P*AP*GP*TP*GP*AP*CP*CP*TP*TP*TP*AP*AP*AP*GP*GP*TP*CP*AP*CP*T)-3'), Nuclear receptor related 1, ZINC ION
Authors:Jiang, L, Chen, Y.
Deposit date:2019-10-29
Release date:2019-11-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.601 Å)
Cite:Structural basis of binding of homodimers of the nuclear receptor NR4A2 to selective Nur-responsive DNA elements.
J.Biol.Chem., 294, 2019
6AY3
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BU of 6ay3 by Molmil
CREBBP bromodomain in complex with Cpd16 (5-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-N-methyl-1H-indole-3-carboxamide)
Descriptor: 1,2-ETHANEDIOL, 5-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1H-indole-3-carboxamide, CREB-binding protein, ...
Authors:Murray, J.M.
Deposit date:2017-09-07
Release date:2018-02-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.391 Å)
Cite:A Unique Approach to Design Potent and Selective Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP) Inhibitors.
J. Med. Chem., 60, 2017
6LBM
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BU of 6lbm by Molmil
Crystal Structure of FOXC2-DBD bound to a palindromic DNA sequence
Descriptor: Forkhead box protein C2, IRE0, MAGNESIUM ION
Authors:Li, J, Dai, S.Y.
Deposit date:2019-11-14
Release date:2021-02-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.841 Å)
Cite:Mechanism of forkhead transcription factors binding to a novel palindromic DNA site.
Nucleic Acids Res., 49, 2021
6LBI
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BU of 6lbi by Molmil
Crystal Structure of FOXO1-DBD homodimer bound to a palindromic DNA sequence
Descriptor: Forkhead box protein O1, IRE0
Authors:Li, J, Dai, S.Y, Chen, Y.H.
Deposit date:2019-11-14
Release date:2021-02-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.067 Å)
Cite:Mechanism of forkhead transcription factors binding to a novel palindromic DNA site.
Nucleic Acids Res., 49, 2021
6AXQ
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BU of 6axq by Molmil
CREBBP bromodomain in complex with Cpd6 (methyl 1H-indole-3-carboxylate)
Descriptor: CREB-binding protein, DIMETHYL SULFOXIDE, methyl 1H-indole-3-carboxylate
Authors:Murray, J.M, Jayaram, H.
Deposit date:2017-09-07
Release date:2018-02-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:A Unique Approach to Design Potent and Selective Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP) Inhibitors.
J. Med. Chem., 60, 2017
6CV7
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BU of 6cv7 by Molmil
Mouse Protocadherin-15 Extracellular Cadherin Domains 1 through 3
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Dionne, G, Shapiro, L.
Deposit date:2018-03-27
Release date:2018-08-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.692 Å)
Cite:Mechanotransduction by PCDH15 Relies on a Novel cis-Dimeric Architecture.
Neuron, 99, 2018
4QQ4
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BU of 4qq4 by Molmil
CW-type zinc finger of MORC3 in complex with the amino terminus of histone H3
Descriptor: CHLORIDE ION, Histone H3.3, MORC family CW-type zinc finger protein 3, ...
Authors:Liu, Y, Tempel, W, Dong, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2014-06-26
Release date:2014-08-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Family-wide Characterization of Histone Binding Abilities of Human CW Domain-containing Proteins.
J.Biol.Chem., 291, 2016
4S1G
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BU of 4s1g by Molmil
Renin in complex with (S)-1-(3-fluoro-5-(((S)-1-phenylethyl)carbamoyl)benzyl)-4-isopropyl-4-methyl-6-oxotetrahydropyrimidin-2(1H)-iminium
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-{[(4S)-2-amino-4-methyl-6-oxo-4-(propan-2-yl)-5,6-dihydropyrimidin-1(4H)-yl]methyl}-5-fluoro-N-[(1S)-1-phenylethyl]benzamide, Renin
Authors:Orth, P.
Deposit date:2015-01-13
Release date:2015-02-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Iminopyrimidinones: A novel pharmacophore for the development of orally active renin inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4IS9
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BU of 4is9 by Molmil
Crystal Structure of the Escherichia coli LpxC/L-161,240 complex
Descriptor: (4R)-2-(3,4-dimethoxy-5-propylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide, ISOPROPYL ALCOHOL, SODIUM ION, ...
Authors:Lee, C.-J, Zhou, P.
Deposit date:2013-01-16
Release date:2013-10-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Structural Basis of the Promiscuous Inhibitor Susceptibility of Escherichia coli LpxC.
Acs Chem.Biol., 9, 2014
4ISA
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BU of 4isa by Molmil
Crystal Structure of the Escherichia coli LpxC/BB-78485 complex
Descriptor: (2R)-N-hydroxy-3-naphthalen-2-yl-2-[(naphthalen-2-ylsulfonyl)amino]propanamide, (4S,5S)-1,2-DITHIANE-4,5-DIOL, FORMIC ACID, ...
Authors:Lee, C.-J, Zhou, P.
Deposit date:2013-01-16
Release date:2013-10-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Basis of the Promiscuous Inhibitor Susceptibility of Escherichia coli LpxC.
Acs Chem.Biol., 9, 2014
4LG8
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BU of 4lg8 by Molmil
Crystal structure of PRPF19 WD40 repeats
Descriptor: Pre-mRNA-processing factor 19, SODIUM ION, UNKNOWN ATOM OR ION
Authors:Xu, C, Tempel, W, He, H, Dobrovetsky, E, Seitova, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2013-06-27
Release date:2013-08-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Crystal structure of the WD40 domain of human PRPF19.
Biochem. Biophys. Res. Commun., 493, 2017
4MQY
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BU of 4mqy by Molmil
Crystal Structure of the Escherichia coli LpxC/LPC-138 complex
Descriptor: 4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3R)-3-hydroxy-2-methyl-1-nitroso-1-oxobutan-2-yl]benzamide, 4-ethynyl-N-[(1S,2R)-2-hydroxy-1-(oxocarbamoyl)propyl]benzamide, DIMETHYL SULFOXIDE, ...
Authors:Lee, C.-J, Najeeb, J, Zhou, P.
Deposit date:2013-09-17
Release date:2013-10-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.005 Å)
Cite:Structural Basis of the Promiscuous Inhibitor Susceptibility of Escherichia coli LpxC.
Acs Chem.Biol., 9, 2014
7YSP
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BU of 7ysp by Molmil
Tubulin heterodimer structure of GDP-2 state in solution
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Tubulin alpha-1B chain, ...
Authors:Zhou, J, Wang, H.-W.
Deposit date:2022-08-12
Release date:2023-10-18
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural insights into the mechanism of GTP initiation of microtubule assembly.
Nat Commun, 14, 2023
7YSO
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BU of 7yso by Molmil
Tubulin heterodimer structure of GDP-1 state in solution
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Tubulin alpha-1B chain, ...
Authors:Zhou, J, Wang, H.-W.
Deposit date:2022-08-12
Release date:2023-10-18
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural insights into the mechanism of GTP initiation of microtubule assembly.
Nat Commun, 14, 2023
7YSR
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BU of 7ysr by Molmil
GTPgammaS MT decorated with kinesin
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Tubulin alpha chain, ...
Authors:Zhou, J, Wang, H.-W.
Deposit date:2022-08-12
Release date:2023-10-18
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Structural insights into the mechanism of GTP initiation of microtubule assembly.
Nat Commun, 14, 2023
7YSN
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BU of 7ysn by Molmil
Tubulin heterodimer structure of GMPCPP state in solution
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, Tubulin alpha-1B chain, ...
Authors:Zhou, J, Wang, H.-W.
Deposit date:2022-08-12
Release date:2023-10-18
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural insights into the mechanism of GTP initiation of microtubule assembly.
Nat Commun, 14, 2023

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