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3L5U
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BU of 3l5u by Molmil
Crystal structure of macrophage migration inhibitory factor (MIF) with benzothiazole inhibitor at 1.90A resolution
Descriptor: 6-HYDROXY-1,3-BENZOTHIAZOLE-2-SULFONAMIDE, Macrophage migration inhibitory factor, SULFATE ION
Authors:McLean, L, Zhang, Y.
Deposit date:2009-12-22
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Fragment screening of inhibitors for MIF tautomerase reveals a cryptic surface binding site.
Bioorg.Med.Chem.Lett., 20, 2010
2Q8Y
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BU of 2q8y by Molmil
Structural insight into the enzymatic mechanism of the phophothreonine lyase
Descriptor: 27.5 kDa virulence protein, Mitogen-activated protein kinase 7
Authors:Zhu, Y.-Q, Wang, D.-C, Shao, F.
Deposit date:2007-06-12
Release date:2007-12-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural insights into the enzymatic mechanism of the pathogenic MAPK phosphothreonine lyase
Mol.Cell, 28, 2007
3L5S
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BU of 3l5s by Molmil
Crystal structure of macrophage migration inhibitory factor (MIF) with imidazopyrimidinylphenyl inhibitor at 1.86A resolution
Descriptor: 5-ethyl-2-(phenylcarbonyl)imidazo[1,2-a]pyrimidin-7(1H)-one, Macrophage migration inhibitory factor, SULFATE ION
Authors:McLean, L, Zhang, Y.
Deposit date:2009-12-22
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Fragment screening of inhibitors for MIF tautomerase reveals a cryptic surface binding site.
Bioorg.Med.Chem.Lett., 20, 2010
5VNB
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BU of 5vnb by Molmil
YEATS in complex with histone H3
Descriptor: 1,2-ETHANEDIOL, H3K23acK27ac peptide, SULFATE ION, ...
Authors:Cho, H.J, Cierpicki, T.
Deposit date:2017-04-29
Release date:2018-09-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:GAS41 Recognizes Diacetylated Histone H3 through a Bivalent Binding Mode.
ACS Chem. Biol., 13, 2018
3L5V
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BU of 3l5v by Molmil
Crystal structure of macrophage migration inhibitory factor (MIF) with glycerol at 1.70A resolution
Descriptor: GLYCEROL, Macrophage migration inhibitory factor, SULFATE ION
Authors:McLean, L, Zhang, Y.
Deposit date:2009-12-22
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Fragment screening of inhibitors for MIF tautomerase reveals a cryptic surface binding site.
Bioorg.Med.Chem.Lett., 20, 2010
3DJY
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BU of 3djy by Molmil
Nonaged Form of Human Butyrylcholinesterase Inhibited by Tabun
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Carletti, E, Nachon, F.
Deposit date:2008-06-24
Release date:2008-12-02
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Aging of Cholinesterases Phosphylated by Tabun Proceeds through O-Dealkylation.
J.Am.Chem.Soc., 130, 2008
6ASY
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BU of 6asy by Molmil
BiP-ATP2
Descriptor: 78 kDa glucose-regulated protein, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ...
Authors:Liu, Q, Yang, J, Zong, Y, Columbus, L, Zhou, L.
Deposit date:2017-08-26
Release date:2017-12-06
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Conformation transitions of the polypeptide-binding pocket support an active substrate release from Hsp70s.
Nat Commun, 8, 2017
6IG9
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BU of 6ig9 by Molmil
Tra1 subunit from Saccharomyces cerevisiae SAGA complex
Descriptor: Transcription-associated protein 1
Authors:Zheng, X.D, Liu, G.C, Guan, H.P, Li, H.T.
Deposit date:2018-09-25
Release date:2019-05-15
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Architecture ofSaccharomyces cerevisiaeSAGA complex.
Cell Discov, 5, 2019
6JAU
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BU of 6jau by Molmil
The complex structure of Pseudomonas aeruginosa MucA/MucB.
Descriptor: CALCIUM ION, GLYCEROL, HEXAETHYLENE GLYCOL, ...
Authors:Li, T, He, L.H, Li, C.C, Liu, L, Peng, C.T, Shen, Y.L, Qin, X.F, Xiao, Q.J, Zhu, Y.B, Song, Y.J, Zhao, N.l, Zhao, C, Yang, J, Mu, X.Y, Huang, Q, Bao, R.
Deposit date:2019-01-25
Release date:2020-01-29
Last modified:2020-08-19
Method:X-RAY DIFFRACTION (1.905 Å)
Cite:Molecular basis of the lipid-induced MucA-MucB dissociation in Pseudomonas aeruginosa.
Commun Biol, 3, 2020
6JJB
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BU of 6jjb by Molmil
BRD4 in complex with ZZM1
Descriptor: 2-methoxy-N-(1-methyl-2-oxidanylidene-benzo[cd]indol-6-yl)benzenesulfonamide, Bromodomain-containing protein 4
Authors:Xu, J, Chen, Y, Jiang, F, Zhu, J.
Deposit date:2019-02-25
Release date:2020-01-22
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.508 Å)
Cite:Discovery of Benzo[cd]indol-2(1H)-ones and Pyrrolo[4,3,2-de]quinolin-2(1H)-ones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with Selectivity for the First Bromodomain with Potential High Efficiency against Acute Gouty Arthritis.
J.Med.Chem., 62, 2019
5UAE
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BU of 5uae by Molmil
Crystal structure of the coiled-coil domain from Listeria Innocua Phage Integrase (Trigonal Form)
Descriptor: CITRATE ANION, Putative integrase
Authors:Gupta, K, Sharp, R, Yuan, J.B, Van Duyne, G.D.
Deposit date:2016-12-19
Release date:2017-05-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Coiled-coil interactions mediate serine integrase directionality.
Nucleic Acids Res., 45, 2017
5UDO
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BU of 5udo by Molmil
Crystal structure of the coiled-coil domain from Listeria Innocua Phage Integrase (Tetragonal Form II)
Descriptor: A118 serine integrase
Authors:Gupta, K, Yuan, J.B, Sharp, R, Van Duyne, G.D.
Deposit date:2016-12-28
Release date:2017-06-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.541 Å)
Cite:Coiled-coil interactions mediate serine integrase directionality.
Nucleic Acids Res., 45, 2017
7CGC
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BU of 7cgc by Molmil
Silver-bound E. coli Malate dehydrogenase (C113 and C251)
Descriptor: Malate dehydrogenase, SILVER ION
Authors:Wang, H, Wang, M, Sun, H.
Deposit date:2020-07-01
Release date:2020-09-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.548 Å)
Cite:Atomic differentiation of silver binding preference in protein targets: Escherichia coli malate dehydrogenase as a paradigm.
Chem Sci, 11, 2020
7CGD
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BU of 7cgd by Molmil
Silver-bound E.coli malate dehydrogenase
Descriptor: Malate dehydrogenase, SILVER ION
Authors:Wang, H, Wang, M, Sun, H.
Deposit date:2020-07-01
Release date:2020-09-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Atomic differentiation of silver binding preference in protein targets: Escherichia coli malate dehydrogenase as a paradigm.
Chem Sci, 11, 2020
5XNV
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BU of 5xnv by Molmil
Crystal structure of YEATS2 YEATS bound to H3K27ac peptide
Descriptor: ALA-ALA-ARG-ALY-SER-ALA-PRO-ALA, AMMONIUM ION, CHLORIDE ION, ...
Authors:Li, H.T, Guan, H.P, Zhao, D.
Deposit date:2017-05-24
Release date:2017-11-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.696 Å)
Cite:YEATS2 links histone acetylation to tumorigenesis of non-small cell lung cancer.
Nat Commun, 8, 2017
6JJ3
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BU of 6jj3 by Molmil
BRD4 in complex with 138A
Descriptor: 2-methoxy-N-[2-methyl-6-(4-methylpiperazin-1-yl)-3-oxidanylidene-2,7-diazatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10-pentaen-9-yl]benzenesulfonamide, Bromodomain-containing protein 4
Authors:Xu, J, Chen, Y, Jiang, F, Zhu, J.
Deposit date:2019-02-25
Release date:2020-01-22
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.718 Å)
Cite:Discovery of Benzo[cd]indol-2(1H)-ones and Pyrrolo[4,3,2-de]quinolin-2(1H)-ones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with Selectivity for the First Bromodomain with Potential High Efficiency against Acute Gouty Arthritis.
J.Med.Chem., 62, 2019
5U96
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BU of 5u96 by Molmil
Crystal structure of the coiled-coil domain from Listeria Innocua (Tetragonal Form)
Descriptor: Putative integrase
Authors:Gupta, K, Van Duyne, G.D, Sharp, R, Yuan, J.B.
Deposit date:2016-12-15
Release date:2017-05-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Coiled-coil interactions mediate serine integrase directionality.
Nucleic Acids Res., 45, 2017
7CB0
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BU of 7cb0 by Molmil
The apo 6-phosphogluconate dehydrogenase from Staphylococcus aureus (strain Newman)
Descriptor: 6-phosphogluconate dehydrogenase, decarboxylating
Authors:Wang, H, Wang, M, Sun, H.
Deposit date:2020-06-10
Release date:2021-04-07
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Multi-target mode of action of silver against Staphylococcus aureus endows it with capability to combat antibiotic resistance.
Nat Commun, 12, 2021
7CB5
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BU of 7cb5 by Molmil
The 6-phosphogluconate dehydrogenase from Staphylococcus aureus (6-phosphogluconate bound)
Descriptor: 6-PHOSPHOGLUCONIC ACID, 6-phosphogluconate dehydrogenase, decarboxylating
Authors:Wang, H, Wang, M, Sun, H.
Deposit date:2020-06-10
Release date:2021-04-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Multi-target mode of action of silver against Staphylococcus aureus endows it with capability to combat antibiotic resistance.
Nat Commun, 12, 2021
7CB6
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BU of 7cb6 by Molmil
The silver-bound 6-phosphogluconate dehydrogenase from Staphylococcus aureus (strain Newman)
Descriptor: 6-phosphogluconate dehydrogenase, decarboxylating, SILVER ION
Authors:Wang, H, Wang, M, Sun, H.
Deposit date:2020-06-10
Release date:2021-04-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Multi-target mode of action of silver against Staphylococcus aureus endows it with capability to combat antibiotic resistance.
Nat Commun, 12, 2021
7E3J
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BU of 7e3j by Molmil
Crystal structure of SARS-CoV-2 RBD binding to dog ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACE2, Spike protein S1, ...
Authors:Zhang, Z, Zhang, Y.
Deposit date:2021-02-08
Release date:2021-04-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:The molecular basis for SARS-CoV-2 binding to dog ACE2.
Nat Commun, 12, 2021
6L0O
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BU of 6l0o by Molmil
WH domain of human MCM8
Descriptor: DNA helicase MCM8, SULFATE ION
Authors:Liu, Y, Li, J, Liu, L, Zeng, H.
Deposit date:2019-09-26
Release date:2020-04-29
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Crystal structure of the winged-helix domain of MCM8.
Biochem.Biophys.Res.Commun., 526, 2020
3PYY
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BU of 3pyy by Molmil
Discovery and Characterization of a Cell-Permeable, Small-molecule c-Abl Kinase Activator that Binds to the Myristoyl Binding Site
Descriptor: (5R)-5-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]imidazolidine-2,4-dione, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, GLYCEROL, ...
Authors:Yang, J, Campobasso, N, Biju, M.P, Fisher, K, Pan, X.Q, Cottom, J, Galbraith, S, Ho, T, Zhang, H, Hong, X, Ward, P, Hofmann, G, Siegfried, B.
Deposit date:2010-12-13
Release date:2011-03-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery and Characterization of a Cell-Permeable, Small-Molecule c-Abl Kinase Activator that Binds to the Myristoyl Binding Site.
Chem.Biol., 18, 2011
1JPZ
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BU of 1jpz by Molmil
Crystal structure of a complex of the heme domain of P450BM-3 with N-Palmitoylglycine
Descriptor: BIFUNCTIONAL P-450:NADPH-P450 REDUCTASE, N-PALMITOYLGLYCINE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Haines, D.C, Tomchick, D.R, Machius, M, Peterson, J.A.
Deposit date:2001-08-03
Release date:2001-11-09
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Pivotal role of water in the mechanism of P450BM-3.
Biochemistry, 40, 2001
3F4M
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BU of 3f4m by Molmil
Crystal structure of TIPE2
Descriptor: CHLORIDE ION, Tumor necrosis factor, alpha-induced protein 8-like protein 2
Authors:Zhang, X, Wang, J, Shi, Y.
Deposit date:2008-11-01
Release date:2009-03-17
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.696 Å)
Cite:Crystal structure of TIPE2 provides insights into immune homeostasis
Nat.Struct.Mol.Biol., 16, 2009

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