8QPM
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![BU of 8qpm by Molmil](/molmil-images/mine/8qpm) | Structure of methylene-tetrahydromethanopterin reductase from Methanocaldococcus jannaschii | Descriptor: | 5,10-methylenetetrahydromethanopterin reductase | Authors: | Gehl, M, Demmer, U, Ermler, U, Shima, S. | Deposit date: | 2023-10-02 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Mutational and structural studies of ( beta alpha ) 8 -barrel fold methylene-tetrahydropterin reductases utilizing a common catalytic mechanism. Protein Sci., 33, 2024
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8QPJ
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8QQ8
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![BU of 8qq8 by Molmil](/molmil-images/mine/8qq8) | Crystal Structure of F420-dependent Methylene-Tetrahydromethanopterin Reductase Mutant E6Q from Methanocaldococcus Jannaschii | Descriptor: | 5,10-methylenetetrahydromethanopterin reductase | Authors: | Gehl, M, Demmer, U, Ermler, U, Shima, S. | Deposit date: | 2023-10-04 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Mutational and structural studies of ( beta alpha ) 8 -barrel fold methylene-tetrahydropterin reductases utilizing a common catalytic mechanism. Protein Sci., 33, 2024
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3N4N
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![BU of 3n4n by Molmil](/molmil-images/mine/3n4n) | Insights into the stabilizing contributions of a bicyclic cytosine analogue: crystal structures of DNA duplexes containing 7,8-dihydropyrido[2,3-d]pyrimidin-2-one | Descriptor: | 5'-D(*CP*GP*CP*GP*AP*A)-3', 5'-D(P*TP*TP*(B7C)P*GP*CP*G)-3' | Authors: | Takenaka, A, Juan, E.C.M, Shimizu, S. | Deposit date: | 2010-05-22 | Release date: | 2010-08-11 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Insights into the DNA stabilizing contributions of a bicyclic cytosine analogue: crystal structures of DNA duplexes containing 7,8-dihydropyrido [2,3-d]pyrimidin-2-one. Nucleic Acids Res., 2010
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4YRD
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![BU of 4yrd by Molmil](/molmil-images/mine/4yrd) | Crystal structure of CapF with inhibitor 3-isopropenyl-tropolone | Descriptor: | 2-hydroxy-3-(prop-1-en-2-yl)cyclohepta-2,4,6-trien-1-one, Capsular polysaccharide synthesis enzyme Cap5F, ZINC ION | Authors: | Nakano, K, Chigira, T, Miyafusa, T, Nagatoishi, S, Caaveiro, J.M.M, Tsumoto, K. | Deposit date: | 2015-03-15 | Release date: | 2015-10-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Discovery and characterization of natural tropolones as inhibitors of the antibacterial target CapF from Staphylococcus aureus. Sci Rep, 5, 2015
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5AVF
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![BU of 5avf by Molmil](/molmil-images/mine/5avf) | The ligand binding domain of Mlp37 with taurine | Descriptor: | 2-AMINOETHANESULFONIC ACID, Methyl-accepting chemotaxis (MCP) signaling domain protein | Authors: | Takahashi, Y, Sumita, K, Uchida, Y, Nishiyama, S, Kawagishi, I, Imada, K. | Deposit date: | 2015-06-15 | Release date: | 2016-06-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Identification of a Vibrio cholerae chemoreceptor that senses taurine and amino acids as attractants Sci Rep, 6, 2016
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8JMN
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![BU of 8jmn by Molmil](/molmil-images/mine/8jmn) | Cryo-EM structure of the gastric proton pump with bound DQ-21 | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-[4-[[2-[(4-chlorophenyl)methoxy]phenyl]methoxy]phenyl]-N-methyl-methanamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Abe, K, Yokoshima, S, Yoshimori, A. | Deposit date: | 2023-06-05 | Release date: | 2023-08-30 | Last modified: | 2023-10-04 | Method: | ELECTRON MICROSCOPY (2.26 Å) | Cite: | Deep learning driven de novo drug design based on gastric proton pump structures. Commun Biol, 6, 2023
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4YHJ
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![BU of 4yhj by Molmil](/molmil-images/mine/4yhj) | Structure and Function of the Hypertension Variant A486V of G Protein-coupled Receptor Kinase 4 (GRK4) | Descriptor: | AMP PHOSPHORAMIDATE, G protein-coupled receptor kinase 4 | Authors: | Allen, S.J, Parthasarathy, G, Soisson, S, Munshi, S. | Deposit date: | 2015-02-27 | Release date: | 2015-07-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure and Function of the Hypertension Variant A486V of G Protein-coupled Receptor Kinase 4. J.Biol.Chem., 290, 2015
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5CI9
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![BU of 5ci9 by Molmil](/molmil-images/mine/5ci9) | Crystal structure of human Tob in complex with inhibitor fragment 6 | Descriptor: | 1-(propan-2-yl)-1H-benzimidazole-5-carboxylic acid, Protein Tob1, SODIUM ION | Authors: | Bai, Y, Tashiro, S, Nagatoishi, S, Suzuki, T, Tsumoto, K, Bartlam, M, Yamamoto, T. | Deposit date: | 2015-07-11 | Release date: | 2015-11-18 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for inhibition of the Tob-CNOT7 interaction by a fragment screening approach Protein Cell, 6, 2015
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8JQQ
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![BU of 8jqq by Molmil](/molmil-images/mine/8jqq) | Protocatecuate hydroxylase from Xylophilus ampelinus C347T mutant | Descriptor: | 4-hydroxybenzoate 3-monooxygenase (NAD(P)H), CALCIUM ION, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Fukushima, R, Katsuki, N, Fushinobu, S, Takaya, N. | Deposit date: | 2023-06-14 | Release date: | 2023-12-06 | Last modified: | 2024-01-03 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Protocatechuate hydroxylase is a novel group A flavoprotein monooxygenase with a unique substrate recognition mechanism. J.Biol.Chem., 300, 2023
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8JQP
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![BU of 8jqp by Molmil](/molmil-images/mine/8jqp) | Protocatecuate hydroxylase from Xylophilus ampelinus complexed with 3,4-dihydroxybenzoate | Descriptor: | 3,4-DIHYDROXYBENZOIC ACID, 4-hydroxybenzoate 3-monooxygenase (NAD(P)H), CALCIUM ION, ... | Authors: | Fukushima, R, Katsuki, N, Fushinobu, S, Takaya, N. | Deposit date: | 2023-06-14 | Release date: | 2023-12-06 | Last modified: | 2024-01-03 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Protocatechuate hydroxylase is a novel group A flavoprotein monooxygenase with a unique substrate recognition mechanism. J.Biol.Chem., 300, 2023
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8JQO
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![BU of 8jqo by Molmil](/molmil-images/mine/8jqo) | Protocatecuate hydroxylase from Xylophilus ampelinus complexed with imidazole | Descriptor: | 4-hydroxybenzoate 3-monooxygenase (NAD(P)H), CALCIUM ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Fukushima, R, Katsuki, N, Fushinobu, S, Takaya, N. | Deposit date: | 2023-06-14 | Release date: | 2023-12-06 | Last modified: | 2024-01-03 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Protocatechuate hydroxylase is a novel group A flavoprotein monooxygenase with a unique substrate recognition mechanism. J.Biol.Chem., 300, 2023
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1OAW
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![BU of 1oaw by Molmil](/molmil-images/mine/1oaw) | OMEGA-AGATOXIN IVA | Descriptor: | OMEGA-AGATOXIN IVA | Authors: | Kim, J.I, Konishi, S, Iwai, H, Kohno, T, Gouda, H, Shimada, I, Sato, K, Arata, Y. | Deposit date: | 1995-06-28 | Release date: | 1995-10-15 | Last modified: | 2017-11-29 | Method: | SOLUTION NMR | Cite: | Three-dimensional solution structure of the calcium channel antagonist omega-agatoxin IVA: consensus molecular folding of calcium channel blockers. J.Mol.Biol., 250, 1995
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5CI8
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![BU of 5ci8 by Molmil](/molmil-images/mine/5ci8) | Crystal structure of human Tob in complex with inhibitor fragment 1 | Descriptor: | Protein Tob1, pyrrolo[1,2-a]quinoxalin-4(5H)-one | Authors: | Bai, Y, Tashiro, S, Nagatoishi, S, Suzuki, T, Tsumoto, K, Bartlam, M, Yamamoto, T. | Deposit date: | 2015-07-11 | Release date: | 2015-11-18 | Last modified: | 2015-12-09 | Method: | X-RAY DIFFRACTION (2.328 Å) | Cite: | Structural basis for inhibition of the Tob-CNOT7 interaction by a fragment screening approach Protein Cell, 6, 2015
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3N4O
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![BU of 3n4o by Molmil](/molmil-images/mine/3n4o) | Insights into the stabilizing contributions of a bicyclic cytosine analogue: crystal structures of DNA duplexes containing 7,8-dihydropyrido[2,3-d]pyrimidin-2-one | Descriptor: | 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, 5'-D(*CP*GP*CP*GP*AP*AP*TP*(B7C)P*CP*GP*CP*G)-3' | Authors: | Takenaka, A, Juan, E.C.M, Shimizu, S. | Deposit date: | 2010-05-22 | Release date: | 2010-08-11 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Insights into the DNA stabilizing contributions of a bicyclic cytosine analogue: crystal structures of DNA duplexes containing 7,8-dihydropyrido [2,3-d]pyrimidin-2-one. Nucleic Acids Res., 2010
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6KNC
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![BU of 6knc by Molmil](/molmil-images/mine/6knc) | PolD-PCNA-DNA (form B) | Descriptor: | DNA polymerase D DP2 (DNA polymerase II large) subunit, DNA polymerase II small subunit, DNA polymerase sliding clamp 1, ... | Authors: | Mayanagi, K, Oki, K, Miyazaki, N, Ishino, S, Yamagami, T, Iwasaki, K, Kohda, D, Morikawa, K, Shirai, T, Ishino, Y. | Deposit date: | 2019-08-05 | Release date: | 2020-08-05 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (9.3 Å) | Cite: | Two conformations of DNA polymerase D-PCNA-DNA, an archaeal replisome complex, revealed by cryo-electron microscopy. Bmc Biol., 18, 2020
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1QB4
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![BU of 1qb4 by Molmil](/molmil-images/mine/1qb4) | CRYSTAL STRUCTURE OF MN(2+)-BOUND PHOSPHOENOLPYRUVATE CARBOXYLASE | Descriptor: | ASPARTIC ACID, MANGANESE (II) ION, PHOSPHOENOLPYRUVATE CARBOXYLASE | Authors: | Matsumura, H, Terada, M, Shirakata, S, Inoue, T, Yoshinaga, T, Izui, K, Kai, Y. | Deposit date: | 1999-04-30 | Release date: | 2002-05-01 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Plausible phosphoenolpyruvate binding site revealed by 2.6 A structure of Mn2+-bound phosphoenolpyruvate carboxylase from Escherichia coli FEBS Lett., 458, 1999
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1OAV
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![BU of 1oav by Molmil](/molmil-images/mine/1oav) | OMEGA-AGATOXIN IVA | Descriptor: | OMEGA-AGATOXIN IVA | Authors: | Kim, J.I, Konishi, S, Iwai, H, Kohno, T, Gouda, H, Shimada, I, Sato, K, Arata, Y. | Deposit date: | 1995-06-28 | Release date: | 1995-10-15 | Last modified: | 2017-11-29 | Method: | SOLUTION NMR | Cite: | Three-dimensional solution structure of the calcium channel antagonist omega-agatoxin IVA: consensus molecular folding of calcium channel blockers. J.Mol.Biol., 250, 1995
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1WN9
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![BU of 1wn9 by Molmil](/molmil-images/mine/1wn9) | Crystal structure of the hypothetical protein TT1805 from Thermus thermophillus HB8 | Descriptor: | ACETIC ACID, the hypothetical protein (TT1805) | Authors: | Pioszak, A.A, Kishishita, S, Shirouzu, M, Kuramitsu, S, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2004-07-28 | Release date: | 2005-01-28 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Crystal structure of the hypothetical protein TT1805 from Thermus thermophillus HB8 To be Published
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1WNA
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![BU of 1wna by Molmil](/molmil-images/mine/1wna) | Crystal structure of the hypothetical protein TT1805 from Thermus thermophillus HB8 | Descriptor: | the hypothetical protein (TT1805) | Authors: | Pioszak, A.A, Kishishita, S, Shirouzu, M, Kuramitsu, S, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2004-07-28 | Release date: | 2005-01-28 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Crystal structure of the hypothetical protein TT1805 from Thermus thermophillus HB8 To be Published
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3F9N
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![BU of 3f9n by Molmil](/molmil-images/mine/3f9n) | Crystal structure of chk1 kinase in complex with inhibitor 38 | Descriptor: | 3-(3-chlorophenyl)-2-({(1S)-1-[(6S)-2,8-diazaspiro[5.5]undec-2-ylcarbonyl]pentyl}sulfanyl)quinazolin-4(3H)-one, SULFATE ION, Serine/threonine-protein kinase Chk1 | Authors: | Yan, Y, Munshi, S, Ikuta, M. | Deposit date: | 2008-11-14 | Release date: | 2009-01-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Development of thioquinazolinones, allosteric Chk1 kinase inhibitors. Bioorg.Med.Chem.Lett., 19, 2009
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3WGC
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![BU of 3wgc by Molmil](/molmil-images/mine/3wgc) | Aeromonas jandaei L-allo-threonine aldolase H128Y/S292R double mutant | Descriptor: | L-allo-threonine aldolase, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE] | Authors: | Qin, H.M, Imai, F.L, Miyakawa, T, Kataoka, M, Okai, M, Ohtsuka, J, Hou, F, Nagata, K, Shimizu, S, Tanokura, M. | Deposit date: | 2013-08-03 | Release date: | 2014-07-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | L-allo-Threonine aldolase with an H128Y/S292R mutation from Aeromonas jandaei DK-39 reveals the structural basis of changes in substrate stereoselectivity. Acta Crystallogr.,Sect.D, 70, 2014
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3CZA
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![BU of 3cza by Molmil](/molmil-images/mine/3cza) | Crystal Structure of E18D DJ-1 | Descriptor: | MALONIC ACID, Protein DJ-1 | Authors: | Witt, A.C, Lakshminarasimhan, M, Remington, B.C, Hashim, S, Pozharski, E, Wilson, M.A. | Deposit date: | 2008-04-28 | Release date: | 2008-07-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Cysteine pKa depression by a protonated glutamic acid in human DJ-1. Biochemistry, 47, 2008
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5H41
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![BU of 5h41 by Molmil](/molmil-images/mine/5h41) | Crystal Structure of 1,2-beta-oligoglucan phosphorylase from Lachnoclostridium phytofermentans in complex with sophorose, isofagomine, sulfate ion | Descriptor: | 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, SULFATE ION, Uncharacterized protein, ... | Authors: | Nakajima, M, Tanaka, N, Furukawa, N, Nihira, T, Kodutsumi, Y, Takahashi, Y, Sugimoto, N, Miyanaga, A, Fushinobu, S, Taguchi, H, Nakai, H. | Deposit date: | 2016-10-28 | Release date: | 2017-03-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Mechanistic insight into the substrate specificity of 1,2-beta-oligoglucan phosphorylase from Lachnoclostridium phytofermentans Sci Rep, 7, 2017
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5H40
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![BU of 5h40 by Molmil](/molmil-images/mine/5h40) | Crystal Structure of 1,2-beta-oligoglucan phosphorylase from Lachnoclostridium phytofermentans in complex with sophorose | Descriptor: | CALCIUM ION, GLYCEROL, Uncharacterized protein, ... | Authors: | Nakajima, M, Tanaka, N, Furukawa, N, Nihira, T, Kodutsumi, Y, Takahashi, Y, Sugimoto, N, Miyanaga, A, Fushinobu, S, Taguchi, H, Nakai, H. | Deposit date: | 2016-10-28 | Release date: | 2017-03-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Mechanistic insight into the substrate specificity of 1,2-beta-oligoglucan phosphorylase from Lachnoclostridium phytofermentans Sci Rep, 7, 2017
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