3ZD9
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![BU of 3zd9 by Molmil](/molmil-images/mine/3zd9) | Potassium bound structure of E. coli ExoIX in P21 | Descriptor: | POTASSIUM ION, PROTEIN XNI | Authors: | Anstey-Gilbert, C.S, Hemsworth, G.R, Flemming, C.S, Hodskinson, M.R.G, Zhang, J, Sedelnikova, S.E, Stillman, T.J, Sayers, J.R, Artymiuk, P.J. | Deposit date: | 2012-11-26 | Release date: | 2013-07-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Structure of E. Coli Exoix - Implications for DNA Binding and Catalysis in Flap Endonucleases Nucleic Acids Res., 41, 2013
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4GT3
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6GH2
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![BU of 6gh2 by Molmil](/molmil-images/mine/6gh2) | Paenibacillus sp. YM1 laminaribiose phosphorylase with alpha-glc-1-phosphate bound | Descriptor: | 1,2-ETHANEDIOL, 1-O-phosphono-alpha-D-glucopyranose, CHLORIDE ION, ... | Authors: | Kuhaudomlarp, S, Walpole, S, Stevenson, C.E.M, Nepogodiev, S.A, Lawson, D.M, Angulo, J, Field, R.A. | Deposit date: | 2018-05-04 | Release date: | 2018-06-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Unravelling the Specificity of Laminaribiose Phosphorylase from Paenibacillus sp. YM-1 towards Donor Substrates Glucose/Mannose 1-Phosphate by Using X-ray Crystallography and Saturation Transfer Difference NMR Spectroscopy. Chembiochem, 20, 2019
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3SPZ
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![BU of 3spz by Molmil](/molmil-images/mine/3spz) | DNA Polymerase(L415A/L561A/S565G/Y567A) Ternary Complex with dUpCpp Opposite dA (Ca2+) | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]uridine, 5'-D(*GP*CP*GP*GP*AP*CP*TP*GP*CP*TP*TP*AP*C)-3', 5'-D(P*GP*AP*GP*TP*AP*AP*GP*CP*AP*GP*TP*CP*CP*GP*CP*G)-3', ... | Authors: | Xia, S, Konigsberg, W.H, Wang, J. | Deposit date: | 2011-07-04 | Release date: | 2011-10-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Structural Insights into Complete Metal Ion Coordination from Ternary Complexes of B Family RB69 DNA Polymerase. Biochemistry, 50, 2011
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4MS9
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![BU of 4ms9 by Molmil](/molmil-images/mine/4ms9) | Native RNA-10mer Structure: ccggcgccgg | Descriptor: | Native RNA duplex 10mer, STRONTIUM ION | Authors: | Sheng, J, Li, L, Engelhart, A.E, Gan, J, Wang, J, Szostak, J.W. | Deposit date: | 2013-09-18 | Release date: | 2014-02-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Structural insights into the effects of 2'-5' linkages on the RNA duplex. Proc.Natl.Acad.Sci.USA, 111, 2014
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4MSB
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![BU of 4msb by Molmil](/molmil-images/mine/4msb) | RNA 10mer duplex with two 2'-5'-linkages | Descriptor: | RNA 10mer duplex with two 2'-5'-linkages, STRONTIUM ION | Authors: | Sheng, J, Li, L, Engelhart, A.E, Gan, J, Wang, J, Szostak, J.W. | Deposit date: | 2013-09-18 | Release date: | 2014-02-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural insights into the effects of 2'-5' linkages on the RNA duplex. Proc.Natl.Acad.Sci.USA, 111, 2014
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4IXP
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5XVD
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![BU of 5xvd by Molmil](/molmil-images/mine/5xvd) | [NiFe]-hydrogenase (Hyb-type) from Citrobacter sp. S-77 in an air-oxidized condition | Descriptor: | FE3-S4 CLUSTER, FE4-S4-O CLUSTER, GLYCEROL, ... | Authors: | Nishikawa, K, Matsuura, H, Muhd Noor, N.D, Tai, H, Hirota, S, Kim, J, Kang, J, Tateno, M, Yoon, K.S, Ogo, S, Shomura, Y, Higuchi, Y. | Deposit date: | 2017-06-27 | Release date: | 2018-06-27 | Last modified: | 2019-07-10 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Redox-dependent conformational changes of a proximal [4Fe-4S] cluster in Hyb-type [NiFe]-hydrogenase to protect the active site from O2. Chem.Commun.(Camb.), 54, 2018
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3NS2
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![BU of 3ns2 by Molmil](/molmil-images/mine/3ns2) | High-resolution structure of pyrabactin-bound PYL2 | Descriptor: | 4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide, Abscisic acid receptor PYL2 | Authors: | Hao, Q, Yin, P, Yan, C, Yuan, X, Wang, J, Yan, N. | Deposit date: | 2010-07-01 | Release date: | 2010-07-21 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.634 Å) | Cite: | Single amino acid alteration between Valine and Isoleucine determines the distinct pyrabactin selectivity by PYL1 and PYL2 J.Biol.Chem., 285, 2010
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5UZ0
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![BU of 5uz0 by Molmil](/molmil-images/mine/5uz0) | Crystal structure of AICARFT bound to an antifolate | Descriptor: | AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, Bifunctional purine biosynthesis protein PURH, MAGNESIUM ION, ... | Authors: | Atwell, S, Wang, Y, Fales, K.R, Clawson, D, Wang, J. | Deposit date: | 2017-02-24 | Release date: | 2018-01-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Discovery of N-(6-Fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)-5-[(3R)-3-hydroxypyrrolidin-1-yl]thiophene-2-sulfonamide (LSN 3213128), a Potent and Selective Nonclassical Antifolate Aminoimidazole-4-carboxamide Ribonucleotide Formyltransferase (AICARFT) Inhibitor Effective at Tumor Suppression in a Cancer Xenograft Model. J. Med. Chem., 60, 2017
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5XVC
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![BU of 5xvc by Molmil](/molmil-images/mine/5xvc) | [NiFe]-hydrogenase (Hyb-type) from Citrobacter sp. S-77 in a ferricyanide-oxidized condition | Descriptor: | DI(HYDROXYETHYL)ETHER, FE3-S4 CLUSTER, FE4-S4-O CLUSTER, ... | Authors: | Nishikawa, K, Matsuura, H, Muhd Noor, N.D, Tai, H, Hirota, S, Kim, J, Kang, J, Tateno, M, Yoon, K.S, Ogo, S, Shomura, Y, Higuchi, Y. | Deposit date: | 2017-06-27 | Release date: | 2018-06-27 | Last modified: | 2019-07-10 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Redox-dependent conformational changes of a proximal [4Fe-4S] cluster in Hyb-type [NiFe]-hydrogenase to protect the active site from O2. Chem.Commun.(Camb.), 54, 2018
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6C5R
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![BU of 6c5r by Molmil](/molmil-images/mine/6c5r) | Crystal structure of the soluble domain of the mitochondrial calcium uniporter | Descriptor: | calcium uniporter | Authors: | Fan, C, Fan, M, Fastman, N, Zhang, J, Feng, L. | Deposit date: | 2018-01-16 | Release date: | 2018-07-11 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.09608316 Å) | Cite: | X-ray and cryo-EM structures of the mitochondrial calcium uniporter. Nature, 559, 2018
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4J2D
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![BU of 4j2d by Molmil](/molmil-images/mine/4j2d) | RB69 DNA Polymerase L415K Ternary Complex | Descriptor: | CALCIUM ION, DNA (5'-D(*GP*CP*GP*GP*AP*CP*TP*GP*CP*TP*TP*AP*T)-3'), DNA (5'-D(*TP*CP*GP*AP*GP*TP*AP*AP*GP*CP*AP*GP*TP*CP*CP*GP*CP*G)-3'), ... | Authors: | Xia, S, Wang, J, Konigsberg, W.H. | Deposit date: | 2013-02-04 | Release date: | 2014-02-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Role of L415 in the Replication of RB69 DNA Polymerase To be Published
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8J4H
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![BU of 8j4h by Molmil](/molmil-images/mine/8j4h) | X-ray structure of a ferric ion-binding protein A (FbpA) from Vibrio metschnikovii in complex with Danshensu (DSS) | Descriptor: | (2~{R})-3-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-propanoic acid, Ferric iron ABC transporter iron-binding protein | Authors: | Lu, P, Jiang, J, Nagata, K. | Deposit date: | 2023-04-20 | Release date: | 2024-01-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Molecular mechanism of Fe 3+ binding inhibition to Vibrio metschnikovii ferric ion-binding protein, FbpA, by rosmarinic acid and its hydrolysate, danshensu. Protein Sci., 33, 2024
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8J4J
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![BU of 8j4j by Molmil](/molmil-images/mine/8j4j) | X-ray structure of a ferric ion-binding protein A (FbpA) from Vibrio metschnikovii in complex with ferric ion | Descriptor: | CARBONATE ION, FE (III) ION, Ferric iron ABC transporter iron-binding protein | Authors: | Lu, P, Jiang, J, Nagata, K. | Deposit date: | 2023-04-20 | Release date: | 2024-01-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Molecular mechanism of Fe 3+ binding inhibition to Vibrio metschnikovii ferric ion-binding protein, FbpA, by rosmarinic acid and its hydrolysate, danshensu. Protein Sci., 33, 2024
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5C27
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![BU of 5c27 by Molmil](/molmil-images/mine/5c27) | Crystal structure of SYK in complex with compound 2 | Descriptor: | 3-{8-[(3,4-dimethoxyphenyl)amino]imidazo[1,2-a]pyrazin-6-yl}-N-[4-(methylcarbamoyl)phenyl]benzamide, GLU-VAL-TYR-GLU-SER, GLYCEROL, ... | Authors: | Han, S, Chang, J. | Deposit date: | 2015-06-15 | Release date: | 2015-10-07 | Last modified: | 2016-02-03 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Imidazotriazines: Spleen Tyrosine Kinase (Syk) Inhibitors Identified by Free-Energy Perturbation (FEP). Chemmedchem, 11, 2016
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6GGY
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![BU of 6ggy by Molmil](/molmil-images/mine/6ggy) | Paenibacillus sp. YM1 laminaribiose phosphorylase with sulphate bound | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Laminaribiose phosphorylase, ... | Authors: | Kuhaudomlarp, S, Walpole, S, Stevenson, C.E.M, Nepogodiev, S.A, Lawson, D.M, Angulo, J, Field, R.A. | Deposit date: | 2018-05-04 | Release date: | 2018-06-13 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Unravelling the Specificity of Laminaribiose Phosphorylase from Paenibacillus sp. YM-1 towards Donor Substrates Glucose/Mannose 1-Phosphate by Using X-ray Crystallography and Saturation Transfer Difference NMR Spectroscopy. Chembiochem, 20, 2019
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4ILD
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![BU of 4ild by Molmil](/molmil-images/mine/4ild) | Crystal structure of truncated Bovine viral diarrhea virus 1 E2 envelope protein | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Envelope glycoprotein E2, ... | Authors: | Modis, Y, Li, Y, Wang, J. | Deposit date: | 2012-12-30 | Release date: | 2013-04-10 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.27 Å) | Cite: | Crystal structure of glycoprotein E2 from bovine viral diarrhea virus. Proc.Natl.Acad.Sci.USA, 110, 2013
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3V7E
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![BU of 3v7e by Molmil](/molmil-images/mine/3v7e) | Crystal structure of YbxF bound to the SAM-I riboswitch aptamer | Descriptor: | COBALT HEXAMMINE(III), MAGNESIUM ION, Ribosome-associated protein L7Ae-like, ... | Authors: | Baird, N.J, Zhang, J, Hamma, T, Ferre-D'Amare, A.R. | Deposit date: | 2011-12-21 | Release date: | 2012-03-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | YbxF and YlxQ are bacterial homologs of L7Ae and bind K-turns but not K-loops. Rna, 18, 2012
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2KMI
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4LQC
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![BU of 4lqc by Molmil](/molmil-images/mine/4lqc) | The crystal structures of the Brucella protein TcpB and the TLR adaptor protein TIRAP show structural differences in microbial TIR mimicry. | Descriptor: | TcpB | Authors: | Snyder, G.A, Smith, P, Fresquez, T, Cirl, C, Jiang, J, Snyder, N, Luchetti, T, Miethke, T, Xiao, T.S. | Deposit date: | 2013-07-17 | Release date: | 2013-12-04 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structures of the Toll/Interleukin-1 receptor (TIR) domains from the Brucella protein TcpB and host adaptor TIRAP reveal mechanisms of molecular mimicry. J.Biol.Chem., 289, 2014
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6GH3
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![BU of 6gh3 by Molmil](/molmil-images/mine/6gh3) | Paenibacillus sp. YM1 laminaribiose phosphorylase with alpha-man-1-phosphate bound | Descriptor: | 1,2-ETHANEDIOL, 1-O-phosphono-alpha-D-mannopyranose, CHLORIDE ION, ... | Authors: | Kuhaudomlarp, S, Walpole, S, Stevenson, C.E.M, Nepogodiev, S.A, Lawson, D.M, Angulo, J, Field, R.A. | Deposit date: | 2018-05-04 | Release date: | 2018-06-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Unravelling the Specificity of Laminaribiose Phosphorylase from Paenibacillus sp. YM-1 towards Donor Substrates Glucose/Mannose 1-Phosphate by Using X-ray Crystallography and Saturation Transfer Difference NMR Spectroscopy. Chembiochem, 20, 2019
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5B6L
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![BU of 5b6l by Molmil](/molmil-images/mine/5b6l) | Structure of Deg protease HhoA from Synechocystis sp. PCC 6803 | Descriptor: | Putative serine protease HhoA, SODIUM ION, UNK-UNK-UNK-UNK-TRP, ... | Authors: | Dong, W, Wang, J, Liu, L. | Deposit date: | 2016-05-30 | Release date: | 2016-09-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.801 Å) | Cite: | Crystal structure of the zinc-bound HhoA protease from Synechocystis sp. PCC 6803 Febs Lett., 590, 2016
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8J37
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![BU of 8j37 by Molmil](/molmil-images/mine/8j37) | Crystal structure of SARS-Cov-2 main protease K90R mutant in complex with PF00835231 | Descriptor: | 3C-like proteinase nsp5, N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | Authors: | Zhou, X.L, Lin, C, Zou, X.F, Zhang, J, Li, J. | Deposit date: | 2023-04-16 | Release date: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Crystal structure of SARS-Cov-2 main protease
K90R mutant in complex with PF00835231 To Be Published
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8J35
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![BU of 8j35 by Molmil](/molmil-images/mine/8j35) | Crystal structure of SARS-Cov-2 main protease G15S mutant in complex with PF00835231 | Descriptor: | 3C-like proteinase nsp5, N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | Authors: | Zhou, X.L, Lin, C, Zou, X.F, Zhang, J, Li, J. | Deposit date: | 2023-04-16 | Release date: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Crystal structure of SARS-Cov-2 main protease
G15S mutant in complex with PF00835231 To Be Published
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