3V3Q
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![BU of 3v3q by Molmil](/molmil-images/mine/3v3q) | Crystal Structure of Human Nur77 Ligand-binding Domain in Complex with Ethyl 2-[2,3,4 trimethoxy-6(1-octanoyl)phenyl]acetate | Descriptor: | GLYCEROL, Nuclear receptor subfamily 4 group A member 1, SODIUM ION, ... | Authors: | Zhang, Q, Shi, C, Yang, K, Chen, Y, Zhan, Y, Wu, Q, Lin, T. | Deposit date: | 2011-12-14 | Release date: | 2012-09-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | The orphan nuclear receptor Nur77 regulates LKB1 localization and activates AMPK Nat.Chem.Biol., 8, 2012
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5Z0V
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![BU of 5z0v by Molmil](/molmil-images/mine/5z0v) | Structural insight into the Zika virus capsid encapsulating the viral genome | Descriptor: | Extracellular solute-binding protein family 1,viral genome protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Li, T, Zhao, Q, Yang, X, Chen, C, Yang, K, Wu, C, Zhang, T, Duan, Y, Xue, X, Mi, K, Ji, X, Wang, Z, Yang, H. | Deposit date: | 2017-12-21 | Release date: | 2018-04-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.913 Å) | Cite: | Structural insight into the Zika virus capsid encapsulating the viral genome. Cell Res., 28, 2018
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5Z0R
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![BU of 5z0r by Molmil](/molmil-images/mine/5z0r) | Structural insight into the Zika virus capsid encapsulating the viral genome | Descriptor: | Extracellular solute-binding protein family 1,viral genome protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Li, T, Zhao, Q, Yang, X, Chen, C, Yang, K, Wu, C, Zhang, T, Duan, Y, Xue, X, Mi, K, Ji, X, Wang, Z, Yang, H. | Deposit date: | 2017-12-20 | Release date: | 2018-04-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural insight into the Zika virus capsid encapsulating the viral genome. Cell Res., 28, 2018
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2HBV
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![BU of 2hbv by Molmil](/molmil-images/mine/2hbv) | Crystal Structure of alpha-Amino-beta-Carboxymuconate-epsilon-Semialdehyde-Decarboxylase (ACMSD) | Descriptor: | 2-amino-3-carboxymuconate 6-semialdehyde decarboxylase, MAGNESIUM ION, ZINC ION | Authors: | Martynowski, D, Eyobo, Y, Li, T, Yang, K, Liu, A, Zhang, H. | Deposit date: | 2006-06-14 | Release date: | 2006-09-19 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal Structure of alpha-Amino-beta-carboxymuconate-epsilon-semialdehyde Decarboxylase: Insight into the Active Site and Catalytic Mechanism of a Novel Decarboxylation Reaction. Biochemistry, 45, 2006
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2HBX
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![BU of 2hbx by Molmil](/molmil-images/mine/2hbx) | Crystal Structure of alpha-Amino-beta-Carboxymuconate-epsilon-Semialdehyde-Decarboxylase (ACMSD) | Descriptor: | 2-amino-3-carboxymuconate 6-semialdehyde decarboxylase, COBALT (II) ION | Authors: | Martynowski, D, Eyobo, Y, Li, T, Yang, K, Liu, A, Zhang, H. | Deposit date: | 2006-06-14 | Release date: | 2006-09-19 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure of alpha-Amino-beta-carboxymuconate-epsilon-semialdehyde Decarboxylase: Insight into the Active Site and Catalytic Mechanism of a Novel Decarboxylation Reaction. Biochemistry, 45, 2006
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3AKA
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![BU of 3aka by Molmil](/molmil-images/mine/3aka) | Structural basis for prokaryotic calcium-mediated regulation by a Streptomyces coelicolor calcium-binding protein | Descriptor: | CALCIUM ION, Putative calcium binding protein | Authors: | Zhao, X, Pang, H, Wang, S, Zhou, W, Yang, K, Bartlam, M. | Deposit date: | 2010-07-09 | Release date: | 2011-01-26 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for prokaryotic calciummediated regulation by a Streptomyces coelicolor calcium binding protein Protein Cell, 1, 2010
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1WNO
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![BU of 1wno by Molmil](/molmil-images/mine/1wno) | Crystal structure of a native chitinase from Aspergillus fumigatus YJ-407 | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase, ... | Authors: | Hu, H, Wang, G, Yang, H, Zhou, J, Mo, L, Yang, K, Jin, C, Jin, C, Rao, Z. | Deposit date: | 2004-08-07 | Release date: | 2005-03-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of a native chitinase from Aspergillus fumigatus YJ-407 To be Published
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5X8Y
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![BU of 5x8y by Molmil](/molmil-images/mine/5x8y) | A Mutation identified in Neonatal Microcephaly Destabilizes Zika Virus NS1 Assembly in vitro | Descriptor: | ZIKV NS1 | Authors: | Wang, D, Chen, C, Liu, S, Zhou, H, Yang, K, Zhao, Q, Ji, X, Chen, C, Xie, W, Wang, Z, Mi, L.Z, Yang, H. | Deposit date: | 2017-03-03 | Release date: | 2017-05-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.817 Å) | Cite: | A Mutation Identified in Neonatal Microcephaly Destabilizes Zika Virus NS1 Assembly in Vitro Sci Rep, 7, 2017
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4KJK
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![BU of 4kjk by Molmil](/molmil-images/mine/4kjk) | Room Temperature WT DHFR | Descriptor: | CALCIUM ION, Dihydrofolate reductase, FOLIC ACID, ... | Authors: | van den Bedem, H, Bhabha, G, Yang, K, Wright, P.E, Fraser, J.S. | Deposit date: | 2013-05-03 | Release date: | 2013-08-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.351 Å) | Cite: | Automated identification of functional dynamic contact networks from X-ray crystallography. Nat.Methods, 10, 2013
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4KJJ
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![BU of 4kjj by Molmil](/molmil-images/mine/4kjj) | Cryogenic WT DHFR | Descriptor: | Dihydrofolate reductase, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | van den Bedem, H, Bhabha, G, Yang, K, Wright, P.E, Fraser, J.S. | Deposit date: | 2013-05-03 | Release date: | 2013-08-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Automated identification of functional dynamic contact networks from X-ray crystallography. Nat.Methods, 10, 2013
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4KJL
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![BU of 4kjl by Molmil](/molmil-images/mine/4kjl) | Room Temperature N23PPS148A DHFR | Descriptor: | Dihydrofolate reductase, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | van den Bedem, H, Bhabha, G, Yang, K, Wright, P.E, Fraser, J.S. | Deposit date: | 2013-05-03 | Release date: | 2013-08-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Automated identification of functional dynamic contact networks from X-ray crystallography. Nat.Methods, 10, 2013
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4ICY
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![BU of 4icy by Molmil](/molmil-images/mine/4icy) | Tracing the Evolution of Angucyclinone Monooxygenases: Structural Determinants for C-12b Hydroxylation and Substrate Inhibition in PgaE | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Kallio, P, Patrikainen, P, Belogurov, G, Mantsala, P, Yang, K, Niemi, J, Metsa-Ketela, M. | Deposit date: | 2012-12-11 | Release date: | 2013-06-12 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Tracing the Evolution of Angucyclinone Monooxygenases: Structural Determinants for C-12b Hydroxylation and Substrate Inhibition in PgaE. Biochemistry, 52, 2013
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1WOF
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![BU of 1wof by Molmil](/molmil-images/mine/1wof) | Crystal Structure Of SARS-CoV Mpro in Complex with an Inhibitor N1 | Descriptor: | 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]-L-ALANYL-L-VALYL-N~1~-((1S)-4-ETHOXY-4-OXO-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE | Authors: | Yang, H, Bartlam, M, Xue, X, Yang, K, Liang, W, Rao, Z. | Deposit date: | 2004-08-18 | Release date: | 2005-08-30 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases. Plos Biol., 3, 2005
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1RKU
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![BU of 1rku by Molmil](/molmil-images/mine/1rku) | Crystal Structure of ThrH gene product of Pseudomonas Aeruginosa | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, homoserine kinase | Authors: | Singh, S.K, Yang, K, Subramanian, K, Karthikeyan, S, Huynh, T, Zhang, X, Phillips, M.A, Zhang, H. | Deposit date: | 2003-11-23 | Release date: | 2004-03-30 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | The thrH Gene Product of Pseudomonas aeruginosa Is a Dual Activity Enzyme with a Novel Phosphoserine:Homoserine Phosphotransferase Activity. J.Biol.Chem., 279, 2004
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1S17
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![BU of 1s17 by Molmil](/molmil-images/mine/1s17) | Identification of Novel Potent Bicyclic Peptide Deformylase Inhibitors | Descriptor: | 2-(3,4-DIHYDRO-3-OXO-2H-BENZO[B][1,4]THIAZIN-2-YL)-N-HYDROXYACETAMIDE, GLYCEROL, NICKEL (II) ION, ... | Authors: | Molteni, V, He, X, Nabakka, J, Yang, K, Kreusch, A, Gordon, P, Bursulaya, B, Ryder, N.S, Goldberg, R, He, Y. | Deposit date: | 2004-01-05 | Release date: | 2004-03-30 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Identification of novel potent bicyclic peptide deformylase inhibitors Bioorg.Med.Chem.Lett., 14, 2004
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1RKV
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![BU of 1rkv by Molmil](/molmil-images/mine/1rkv) | Structure of Phosphate complex of ThrH from Pseudomonas aeruginosa | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Singh, S.K, Yang, K, Subramanian, K, Karthikeyan, S, Huynh, T, Zhang, X, Phillips, M.A, Zhang, H. | Deposit date: | 2003-11-23 | Release date: | 2004-03-30 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The thrH Gene Product of Pseudomonas aeruginosa Is a Dual Activity Enzyme with a Novel Phosphoserine:Homoserine Phosphotransferase Activity. J.Biol.Chem., 279, 2004
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7SH7
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![BU of 7sh7 by Molmil](/molmil-images/mine/7sh7) | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI87 | Descriptor: | 3C-like proteinase nsp5, benzyl [(2S,3R)-3-tert-butoxy-1-{[(2S)-3-cyclohexyl-1-oxo-1-(2-{[(3S)-2-oxopyrrolidin-3-yl]methyl}-2-propanoylhydrazinyl)propan-2-yl]amino}-1-oxobutan-2-yl]carbamate (non-preferred name) | Authors: | Blankenship, L.R, Yang, K.S, Liu, W.R. | Deposit date: | 2021-10-08 | Release date: | 2023-04-12 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | An Azapeptide Platform in Conjunction with Covalent Warheads to Uncover High-Potency Inhibitors for SARS-CoV-2 Main Protease. Biorxiv, 2023
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