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6NM4
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BU of 6nm4 by Molmil
Crystal structure of SAM-bound PRDM9 in complex with MRK-740 inhibitor
Descriptor: 4-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-9-(2-methylpyridin-4-yl)-1,4,9-triazaspiro[5.5]undecane, Histone-lysine N-methyltransferase PRDM9, S-ADENOSYLMETHIONINE, ...
Authors:Ivanochko, D, Halabelian, L, Fischer, C, Sanders, J.M, Kattar, S.D, Brown, P.J, Edwards, A.M, Bountra, C, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
Deposit date:2019-01-10
Release date:2019-02-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Discovery of a chemical probe for PRDM9.
Nat Commun, 10, 2019
3WB9
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BU of 3wb9 by Molmil
Crystal Structures of meso-diaminopimelate dehydrogenase from Symbiobacterium thermophilum
Descriptor: Diaminopimelate dehydrogenase, GLYCEROL
Authors:Liu, W.D, Li, Z, Huang, C.H, Guo, R.T, Wu, Q.Q, Zhu, D.M.
Deposit date:2013-05-14
Release date:2014-03-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Structural and mutational studies on the unusual substrate specificity of meso-diaminopimelate dehydrogenase from Symbiobacterium thermophilum.
Chembiochem, 15, 2014
3WBF
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BU of 3wbf by Molmil
Crystal Structure of meso-diaminopimelate dehydrogenase from Symbiobacterium thermophilum co-crystallized with NADP+ and DAP
Descriptor: 2,6-DIAMINOPIMELIC ACID, Diaminopimelate dehydrogenase, GLYCEROL, ...
Authors:Liu, W.D, Li, Z, Huang, C.H, Guo, R.T, Wu, Q.Q, Zhu, D.M.
Deposit date:2013-05-15
Release date:2014-03-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structural and mutational studies on the unusual substrate specificity of meso-diaminopimelate dehydrogenase from Symbiobacterium thermophilum.
Chembiochem, 15, 2014
3WBB
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BU of 3wbb by Molmil
Crystal Structures of meso-diaminopimelate dehydrogenase from Symbiobacterium thermophilum
Descriptor: Diaminopimelate dehydrogenase, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Liu, W.D, Li, Z, Huang, C.H, Guo, R.T, Wu, Q.Q, Zhu, D.M.
Deposit date:2013-05-14
Release date:2014-03-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Structural and mutational studies on the unusual substrate specificity of meso-diaminopimelate dehydrogenase from Symbiobacterium thermophilum.
Chembiochem, 15, 2014
7JM5
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BU of 7jm5 by Molmil
Crystal structure of KDM4B in complex with QC6352
Descriptor: 3-[({(1R)-6-[methyl(phenyl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl}methyl)amino]pyridine-4-carboxylic acid, Lysine-specific demethylase 4B, NICKEL (II) ION, ...
Authors:White, S.W, Yun, M.
Deposit date:2020-07-31
Release date:2022-02-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Targeting KDM4 for treating PAX3-FOXO1-driven alveolar rhabdomyosarcoma.
Sci Transl Med, 14, 2022
7EQL
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BU of 7eql by Molmil
Crystal structure of (+)-pulegone reductase from Mentha piperita
Descriptor: (+)-pulegone reductase
Authors:Lin, W.
Deposit date:2021-05-03
Release date:2021-09-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Functional Characterization and Structural Insights Into Stereoselectivity of Pulegone Reductase in Menthol Biosynthesis.
Front Plant Sci, 12, 2021
6WYJ
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BU of 6wyj by Molmil
Cryo-EM structure of the GltPh L152C-G321C mutant in the intermediate state
Descriptor: ASPARTIC ACID, Glutamate transporter homolog
Authors:Font, J, Chen, I, Sobti, M, Stewart, A.G, Ryan, R.M.
Deposit date:2020-05-13
Release date:2021-02-17
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Glutamate transporters have a chloride channel with two hydrophobic gates.
Nature, 591, 2021
6WYL
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BU of 6wyl by Molmil
Cryo-EM structure of GltPh L152C-G351C mutant in the intermediate outward-facing state.
Descriptor: ASPARTIC ACID, Glutamate transporter homolog
Authors:Font, J, Chen, I, Sobti, M, Stewart, A.G, Ryan, R.M.
Deposit date:2020-05-13
Release date:2021-02-17
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Glutamate transporters have a chloride channel with two hydrophobic gates.
Nature, 591, 2021
6WYK
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BU of 6wyk by Molmil
Cryo-EM structure of the GltPh L152C-G321C mutant in the intermediate chloride conducting state.
Descriptor: ASPARTIC ACID, Glutamate transporter homolog
Authors:Font, J, Chen, I, Sobti, M, Stewart, A.G, Ryan, R.M.
Deposit date:2020-05-13
Release date:2021-02-17
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Glutamate transporters have a chloride channel with two hydrophobic gates.
Nature, 591, 2021
6X01
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BU of 6x01 by Molmil
Crystal structure of the GltPh V216C-A391C mutant cross-linked in outward-facing state
Descriptor: ASPARTIC ACID, Glutamate transporter homolog, SODIUM ION
Authors:Chen, I, Font, J, Ryan, R.
Deposit date:2020-05-15
Release date:2021-02-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.65 Å)
Cite:Glutamate transporters have a chloride channel with two hydrophobic gates.
Nature, 591, 2021
6WZB
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BU of 6wzb by Molmil
Crystal structure of the GltPh V216C-G388C mutant cross-linked with divalent mercury
Descriptor: ASPARTIC ACID, Glutamate transporter homolog, MERCURY (II) ION, ...
Authors:Chen, I, Font, J, Ryan, R.
Deposit date:2020-05-13
Release date:2021-02-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:Glutamate transporters have a chloride channel with two hydrophobic gates.
Nature, 591, 2021
4I5S
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BU of 4i5s by Molmil
Structure and function of sensor histidine kinase
Descriptor: Putative histidine kinase CovS; VicK-like protein
Authors:Cai, Y.
Deposit date:2012-11-28
Release date:2013-03-27
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Mechanistic insights revealed by the crystal structure of a histidine kinase with signal transducer and sensor domains
Plos Biol., 11, 2013
4WWI
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BU of 4wwi by Molmil
Crystal structure of the C domain of staphylococcal protein A in complex with the Fc fragment of human IgG at 2.3 Angstrom resolution
Descriptor: Ig gamma-3 chain C region, Immunoglobulin G-binding protein A
Authors:Deis, L.N, Oas, T.G.
Deposit date:2014-11-11
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.307 Å)
Cite:Suppression of conformational heterogeneity at a protein-protein interface.
Proc.Natl.Acad.Sci.USA, 112, 2015
4YNL
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BU of 4ynl by Molmil
Crystal structure of the hood domain of Anabaena HetR in complex with the hexapeptide ERGSGR derived from PatS
Descriptor: Heterocyst differentiation control protein, Heterocyst inhibition-signaling peptide
Authors:Hu, H.X, Jiang, Y.L, Zhao, M.X, Zhang, C.C, Chen, Y, Zhou, C.Z.
Deposit date:2015-03-10
Release date:2015-12-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural insights into HetR-PatS interaction involved in cyanobacterial pattern formation
Sci Rep, 5, 2015
4YRV
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BU of 4yrv by Molmil
Crystal structure of Anabaena transcription factor HetR complexed with 21-bp DNA from hetP promoter
Descriptor: CALCIUM ION, DNA (5'-D(P*AP*TP*GP*AP*GP*GP*GP*GP*TP*TP*AP*GP*AP*CP*CP*CP*CP*TP*CP*GP*C)-3'), DNA (5'-D(P*GP*CP*GP*AP*GP*GP*GP*GP*TP*CP*TP*AP*AP*CP*CP*CP*CP*TP*CP*AP*T)-3'), ...
Authors:Hu, H.X, Jiang, Y.L, Zhao, M.X, Zhang, C.C, Chen, Y, Zhou, C.Z.
Deposit date:2015-03-16
Release date:2015-12-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural insights into HetR-PatS interaction involved in cyanobacterial pattern formation
Sci Rep, 5, 2015
8H8Y
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BU of 8h8y by Molmil
Crystal structure of AbHheG from Acidimicrobiia bacterium
Descriptor: GLYCEROL, alpha/beta hydrolase
Authors:Zhou, C.H, Chen, X, Han, X, Liu, W.D, Wu, Q.Q, Zhu, D.M, Ma, Y.H.
Deposit date:2022-10-24
Release date:2023-08-02
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Flipping the Substrate Creates a Highly Selective Halohydrin Dehalogenase for the Synthesis of Chiral 4-Aryl-2-oxazolidinones from Readily Available Epoxides
Acs Catalysis, 13, 2023
4ZMD
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BU of 4zmd by Molmil
C domain of staphylococcal protein A mutant - Q9W
Descriptor: Immunoglobulin G-binding protein A
Authors:Deis, L.N, Oas, T.G.
Deposit date:2015-05-03
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Suppression of conformational heterogeneity at a protein-protein interface.
Proc.Natl.Acad.Sci.USA, 112, 2015
4ZNC
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BU of 4znc by Molmil
Fc fragment of human IgG in complex with the C domain of staphylococcal protein A mutant - Q9W
Descriptor: Ig gamma-3 chain C region, Immunoglobulin G-binding protein A
Authors:Deis, L.N, Oas, T.G.
Deposit date:2015-05-04
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Suppression of conformational heterogeneity at a protein-protein interface.
Proc.Natl.Acad.Sci.USA, 112, 2015
4ZXT
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BU of 4zxt by Molmil
Complex of ERK2 with catechol
Descriptor: AMMONIUM ION, CATECHOL, Mitogen-activated protein kinase 1, ...
Authors:Kurinov, I, Malakhova, M.
Deposit date:2015-05-20
Release date:2016-05-25
Last modified:2016-10-05
Method:X-RAY DIFFRACTION (2 Å)
Cite:A natural small molecule, catechol, induces c-Myc degradation by directly targeting ERK2 in lung cancer.
Oncotarget, 7, 2016
4NIE
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BU of 4nie by Molmil
Crystal structure of the orphan nuclear receptor ROR(gamma)t ligand-binding domain in complex with small molecule ligand
Descriptor: 3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-1-SULFONATE, N-(4-{[benzyl(propyl)amino]methyl}phenyl)-2-[4-(ethylsulfonyl)phenyl]acetamide, Nuclear receptor ROR-gamma, ...
Authors:Ma, Y.L, Yang, L.Q.
Deposit date:2013-11-06
Release date:2013-12-11
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Discovery of Tertiary Amine and Indole Derivatives as Potent ROR gamma t Inverse Agonists.
Acs Med.Chem.Lett., 5, 2014
2G72
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BU of 2g72 by Molmil
Structure of hPNMT with inhibitor 3-fluoromethyl-7-thiomorpholinosulfonamide-THIQ and AdoMet
Descriptor: (3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN-4-YLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE, Phenylethanolamine N-methyltransferase, S-ADENOSYLMETHIONINE
Authors:Tyndall, J.D.A, Gee, C.L, Martin, J.L.
Deposit date:2006-02-27
Release date:2007-02-13
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Enzyme Adaptation to Inhibitor Binding: A Cryptic Binding Site in Phenylethanolamine N-Methyltransferase
J.Med.Chem., 50, 2007
2G70
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BU of 2g70 by Molmil
Structure of human PNMT in complex with inhibitor 3-hydroxymethyl-7-nitro-THIQ and AdoMet (SAM)
Descriptor: PHOSPHATE ION, Phenylethanolamine N-methyltransferase, S-ADENOSYLMETHIONINE, ...
Authors:Tyndall, J.D.A, Gee, C.L, Martin, J.L.
Deposit date:2006-02-27
Release date:2007-02-13
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Enzyme Adaptation to Inhibitor Binding: A Cryptic Binding Site in Phenylethanolamine N-Methyltransferase
J.Med.Chem., 50, 2007
2G71
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BU of 2g71 by Molmil
Structure of hPNMT with inhibitor 3-fluoromethyl-7-trifluoropropyl-THIQ and AdoHcy
Descriptor: (3R)-3-(FLUOROMETHYL)-N-(3,3,3-TRIFLUOROPROPYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE, GLYCEROL, Phenylethanolamine N-methyltransferase, ...
Authors:Tyndall, J.D.A, Gee, C.L, Martin, J.L.
Deposit date:2006-02-27
Release date:2007-02-13
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Enzyme Adaptation to Inhibitor Binding: A Cryptic Binding Site in Phenylethanolamine N-Methyltransferase
J.Med.Chem., 50, 2007
3MZI
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BU of 3mzi by Molmil
Crystallographic structure of the pseudo-Signaling State of the BLUF Photoreceptor PixD (slr1694) Y8F mutant
Descriptor: Activator of photopigment and puc expression, FLAVIN MONONUCLEOTIDE
Authors:Yuan, H, Bauer, C.E.
Deposit date:2010-05-12
Release date:2011-08-31
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.304 Å)
Cite:Mutational and Structural Studies of the PixD BLUF Output Signal That Affects Light-Regulated Interactions with PixE.
Biochemistry, 50, 2011
8HQP
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BU of 8hqp by Molmil
Crystal structure of AbHheG mutant from Acidimicrobiia bacterium
Descriptor: AbHheG_m
Authors:Zhou, C.H, Chen, X, Han, X, Liu, W.D, Wu, Q.Q, Zhu, D.M, Ma, Y.H.
Deposit date:2022-12-13
Release date:2023-08-02
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Flipping the Substrate Creates a Highly Selective Halohydrin Dehalogenase for the Synthesis of Chiral 4-Aryl-2-oxazolidinones from Readily Available Epoxides
Acs Catalysis, 13, 2023

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