4MPC
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![BU of 4mpc by Molmil](/molmil-images/mine/4mpc) | Crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PS2 | Descriptor: | 4-(isoindolin-2-ylsulfonyl)benzene-1,3-diol, L(+)-TARTARIC ACID, [Pyruvate dehydrogenase [lipoamide]] kinase isozyme 2, ... | Authors: | Gui, W.J, Tso, S.C, Chuang, J.L, Wu, C.Y, Qi, X, Tambar, U.K, Wynn, R.M, Chuang, D.T. | Deposit date: | 2013-09-12 | Release date: | 2014-01-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.699 Å) | Cite: | Structure-guided Development of Specific Pyruvate Dehydrogenase Kinase Inhibitors Targeting the ATP-binding Pocket. J.Biol.Chem., 289, 2014
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4NJI
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![BU of 4nji by Molmil](/molmil-images/mine/4nji) | Crystal Structure of QueE from Burkholderia multivorans in complex with AdoMet, 6-carboxy-5,6,7,8-tetrahydropterin, and Mg2+ | Descriptor: | (6R)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridine-6-carboxylic acid, 7-carboxy-7-deazaguanine synthase, IRON/SULFUR CLUSTER, ... | Authors: | Dowling, D.P, Bruender, N.A, Young, A.P, McCarty, R.M, Bandarian, V, Drennan, C.L. | Deposit date: | 2013-11-10 | Release date: | 2013-12-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.197 Å) | Cite: | Radical SAM enzyme QueE defines a new minimal core fold and metal-dependent mechanism. Nat.Chem.Biol., 10, 2014
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4NEC
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![BU of 4nec by Molmil](/molmil-images/mine/4nec) | Conversion of a Disulfide Bond into a Thioacetal Group during Echinomycin Biosynthesis | Descriptor: | 2-CARBOXYQUINOXALINE, ACETATE ION, Echinomycin, ... | Authors: | Hotta, K, Keegan, R.M, Ranganathan, S, Fang, M, Bibby, J, Winn, M.D, Sato, M, Lian, M, Watanabe, K, Rigden, D.J, Kim, C.-Y. | Deposit date: | 2013-10-29 | Release date: | 2014-01-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Conversion of a disulfide bond into a thioacetal group during echinomycin biosynthesis. Angew.Chem.Int.Ed.Engl., 53, 2014
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4NJH
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![BU of 4njh by Molmil](/molmil-images/mine/4njh) | Crystal Structure of QueE from Burkholderia multivorans in complex with AdoMet and 6-carboxy-5,6,7,8-tetrahydropterin | Descriptor: | (6R)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridine-6-carboxylic acid, 7-carboxy-7-deazaguanine synthase, IRON/SULFUR CLUSTER, ... | Authors: | Dowling, D.P, Bruender, N.A, Young, A.P, McCarty, R.M, Bandarian, V, Drennan, C.L. | Deposit date: | 2013-11-10 | Release date: | 2013-12-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.898 Å) | Cite: | Radical SAM enzyme QueE defines a new minimal core fold and metal-dependent mechanism. Nat.Chem.Biol., 10, 2014
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4NH0
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![BU of 4nh0 by Molmil](/molmil-images/mine/4nh0) | Cytoplasmic domain of the Thermomonospora curvata Type VII Secretion ATPase EccC | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cell divisionFtsK/SpoIIIE, MAGNESIUM ION, ... | Authors: | Rosenberg, O.S, Cox, J.S, Stroud, R.M, Strauli, N, Dovala, D. | Deposit date: | 2013-11-03 | Release date: | 2015-02-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Substrates Control Multimerization and Activation of the Multi-Domain ATPase Motor of Type VII Secretion. Cell(Cambridge,Mass.), 161, 2015
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4NJJ
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![BU of 4njj by Molmil](/molmil-images/mine/4njj) | Crystal Structure of QueE from Burkholderia multivorans in complex with AdoMet, 6-carboxy-5,6,7,8-tetrahydropterin, and Manganese(II) | Descriptor: | (6R)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridine-6-carboxylic acid, 7-carboxy-7-deazaguanine synthase, IRON/SULFUR CLUSTER, ... | Authors: | Dowling, D.P, Bruender, N.A, Young, A.P, McCarty, R.M, Bandarian, V, Drennan, C.L. | Deposit date: | 2013-11-10 | Release date: | 2013-12-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Radical SAM enzyme QueE defines a new minimal core fold and metal-dependent mechanism. Nat.Chem.Biol., 10, 2014
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4P2E
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![BU of 4p2e by Molmil](/molmil-images/mine/4p2e) | Acoustic transfer of protein crystals from agar pedestals to micromeshes for high throughput screening of heavy atom derivatives | Descriptor: | CHLORIDE ION, COPPER (II) ION, Lysozyme C, ... | Authors: | Cuttitta, C.M, Roessler, C.G, Ericson, D.L, Scalia, A, Teplitsky, E, Campos, O, Agarwal, R, Allaire, M, Orville, A.M, Sweet, R.M, Soares, A.S. | Deposit date: | 2014-03-03 | Release date: | 2014-04-09 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Acoustic transfer of protein crystals from agarose pedestals to micromeshes for high-throughput screening. Acta Crystallogr.,Sect.D, 71, 2015
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4M8B
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![BU of 4m8b by Molmil](/molmil-images/mine/4m8b) | Fungal Protein | Descriptor: | 1,2-ETHANEDIOL, Chain A of dsDNA containing the cis-regulatory element, Chain B of dsDNA containing the cis-regulatory element, ... | Authors: | Rosenberg, O.S, Lohse, M.L, Stroud, R.M, Johnson, A.D. | Deposit date: | 2013-08-13 | Release date: | 2014-06-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Structure of a new DNA-binding domain which regulates pathogenesis in a wide variety of fungi. Proc.Natl.Acad.Sci.USA, 111, 2014
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4PIW
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![BU of 4piw by Molmil](/molmil-images/mine/4piw) | Crystal structure of sugar aminotransferase WecE from Escherichia coli K-12 | Descriptor: | TDP-4-keto-6-deoxy-D-glucose transaminase family protein | Authors: | Wang, F, Xu, W, Helmich, K.E, Singh, S, Yennamalli, R.M, Miller, M.D, Bingman, C.A, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2014-05-09 | Release date: | 2014-07-16 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of sugar aminotransferase WecE from Escherichia coli K-12 To Be Published
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2G0B
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![BU of 2g0b by Molmil](/molmil-images/mine/2g0b) | The structure of FeeM, an N-acyl amino acid synthase from uncultured soil microbes | Descriptor: | FeeM, N-DODECANOYL-L-TYROSINE | Authors: | Van Wagoner, R.M, Clardy, J. | Deposit date: | 2006-02-11 | Release date: | 2006-09-26 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | FeeM, an N-Acyl Amino Acid Synthase from an Uncultured Soil Microbe: Structure, Mechanism, and Acyl Carrier Protein Binding. Structure, 14, 2006
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6M9U
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![BU of 6m9u by Molmil](/molmil-images/mine/6m9u) | Structure of the apo-form of 20beta-Hydroxysteroid Dehydrogenase from Bifidobacterium adolescentis strain L2-32 | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Mythen, S.M, Pollet, R.M, Koropatkin, N.M, Ridlon, J.M. | Deposit date: | 2018-08-24 | Release date: | 2019-06-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural and biochemical characterization of 20 beta-hydroxysteroid dehydrogenase fromBifidobacterium adolescentisstrain L2-32. J.Biol.Chem., 294, 2019
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2G8A
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![BU of 2g8a by Molmil](/molmil-images/mine/2g8a) | Lactobacillus casei Y261M in complex with substrate, dUMP | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, thymidylate synthase | Authors: | Finer-Moore, J.S, Stroud, R.M. | Deposit date: | 2006-03-02 | Release date: | 2006-03-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The role of protein dynamics in thymidylate synthase catalysis: variants of conserved 2'-deoxyuridine 5'-monophosphate (dUMP)-binding Tyr-261 Biochemistry, 45, 2006
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2GFD
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![BU of 2gfd by Molmil](/molmil-images/mine/2gfd) | GRP94 in complex with the novel HSP90 Inhibitor Radamide | Descriptor: | Endoplasmin, METHYL 3-CHLORO-2-{3-[(2,5-DIHYDROXY-4-METHOXYPHENYL)AMINO]-3-OXOPROPYL}-4,6-DIHYDROXYBENZOATE, PENTAETHYLENE GLYCOL, ... | Authors: | Immormino, R.M, Gewirth, D.T. | Deposit date: | 2006-03-21 | Release date: | 2007-04-03 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Different poses for ligand and chaperone in inhibitor-bound Hsp90 and GRP94: implications for paralog-specific drug design. J.Mol.Biol., 388, 2009
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7V6P
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![BU of 7v6p by Molmil](/molmil-images/mine/7v6p) | Crystal structure of human sNASP TPR domain | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Liu, C.P, Xu, R.M. | Deposit date: | 2021-08-20 | Release date: | 2021-12-29 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Distinct histone H3-H4 binding modes of sNASP reveal the basis for cooperation and competition of histone chaperones. Genes Dev., 35, 2021
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7V6Q
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![BU of 7v6q by Molmil](/molmil-images/mine/7v6q) | Crystal structure of sNASP-ASF1A-H3.1-H4 complex | Descriptor: | GLYCEROL, Histone H3.1, Histone H4, ... | Authors: | Liu, C.P, Xu, R.M. | Deposit date: | 2021-08-20 | Release date: | 2021-12-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Distinct histone H3-H4 binding modes of sNASP reveal the basis for cooperation and competition of histone chaperones. Genes Dev., 35, 2021
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2FX7
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![BU of 2fx7 by Molmil](/molmil-images/mine/2fx7) | Crystal structure of hiv-1 neutralizing human fab 4e10 in complex with a 16-residue peptide encompassing the 4e10 epitope on gp41 | Descriptor: | Fab 4E10, Fragment of HIV glycoprotein (GP41), GLYCEROL | Authors: | Cardoso, R.M.F, Brunel, F.M, Ferguson, S, Burton, D.R, Dawson, P.E, Wilson, I.A. | Deposit date: | 2006-02-03 | Release date: | 2006-12-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Structural basis of enhanced binding of extended and helically constrained peptide epitopes of the broadly neutralizing HIV-1 antibody 4E10. J.Mol.Biol., 365, 2007
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7V9G
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![BU of 7v9g by Molmil](/molmil-images/mine/7v9g) | Native BEN4 domain of protein Bend3 with DNA | Descriptor: | BEN domain-containing protein 3, DNA (5'-D(*GP*CP*AP*CP*CP*GP*CP*GP*TP*GP*GP*GP*GP*CP*CP*A)-3'), DNA (5'-D(*TP*GP*GP*CP*CP*CP*CP*AP*CP*GP*CP*GP*GP*TP*GP*C)-3') | Authors: | Zhang, J, Zhang, Y, You, Q, Huang, C, Zhang, T, Wang, M, Zhang, T, Yang, X, Xiong, J, Li, Y, Liu, C.P, Zhang, Z, Xu, R.M, Zhu, B. | Deposit date: | 2021-08-25 | Release date: | 2022-02-16 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Highly enriched BEND3 prevents the premature activation of bivalent genes during differentiation. Science, 375, 2022
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7V9I
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![BU of 7v9i by Molmil](/molmil-images/mine/7v9i) | The Monomer mutant of BEN4 domain of protein Bend3 with DNA | Descriptor: | BEN domain-containing protein 3, DNA (5'-D(*AP*CP*CP*GP*CP*GP*TP*GP*GP*GP*GP*C)-3'), DNA (5'-D(*GP*CP*CP*CP*CP*AP*CP*GP*CP*GP*GP*T)-3') | Authors: | Zhang, J, Zhang, Y, You, Q, Huang, C, Zhang, T, Wang, M, Zhang, T, Yang, X, Xiong, J, Li, Y, Liu, C.P, Zhang, Z, Xu, R.M, Zhu, B. | Deposit date: | 2021-08-25 | Release date: | 2022-02-16 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Highly enriched BEND3 prevents the premature activation of bivalent genes during differentiation. Science, 375, 2022
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2GF7
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![BU of 2gf7 by Molmil](/molmil-images/mine/2gf7) | Double tudor domain structure | Descriptor: | Jumonji domain-containing protein 2A, SULFATE ION | Authors: | Huang, Y, Fang, J, Bedford, M.T, Zhang, Y, Xu, R.M. | Deposit date: | 2006-03-21 | Release date: | 2006-05-02 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Recognition of histone H3 lysine-4 methylation by the double tudor domain of JMJD2A Science, 312, 2006
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7V9H
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![BU of 7v9h by Molmil](/molmil-images/mine/7v9h) | The BEN3 domain of protein Bend3 | Descriptor: | BEN domain-containing protein 3 | Authors: | Zhang, J, Zhang, Y, You, Q, Huang, C, Zhang, T, Wang, M, Zhang, T, Yang, X, Xiong, J, Li, Y, Liu, C.P, Zhang, Z, Xu, R.M, Zhu, B. | Deposit date: | 2021-08-25 | Release date: | 2022-02-16 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.692 Å) | Cite: | Highly enriched BEND3 prevents the premature activation of bivalent genes during differentiation. Science, 375, 2022
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7V9F
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![BU of 7v9f by Molmil](/molmil-images/mine/7v9f) | Selenomethionine mutant (L740Sem) of BEN4 domain of protein Bend3 with DNA | Descriptor: | BEN domain-containing protein 3, CITRIC ACID, DNA (5'-D(*GP*CP*AP*CP*CP*GP*CP*GP*TP*GP*GP*GP*GP*CP*CP*A)-3'), ... | Authors: | Zhang, J, Zhang, Y, You, Q, Huang, C, Zhang, T, Wang, M, Zhang, T, Yang, X, Xiong, J, Li, Y, Liu, C.P, Zhang, Z, Xu, R.M, Zhu, B. | Deposit date: | 2021-08-25 | Release date: | 2022-02-16 | Last modified: | 2022-03-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Highly enriched BEND3 prevents the premature activation of bivalent genes during differentiation. Science, 375, 2022
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2FWZ
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![BU of 2fwz by Molmil](/molmil-images/mine/2fwz) | |
2G8X
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![BU of 2g8x by Molmil](/molmil-images/mine/2g8x) | Escherichia coli Y209W apoprotein | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CARBONATE ION, PHOSPHATE ION, ... | Authors: | Lee, T.T, Finer-Moore, J.S, Stroud, R.M. | Deposit date: | 2006-03-03 | Release date: | 2006-03-14 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | The role of protein dynamics in thymidylate synthase catalysis: Variants of conserved dUMP-binding Tyr-261 TO BE PUBLISHED
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2G86
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![BU of 2g86 by Molmil](/molmil-images/mine/2g86) | |
2G8D
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![BU of 2g8d by Molmil](/molmil-images/mine/2g8d) | |