4CXV
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![BU of 4cxv by Molmil](/molmil-images/mine/4cxv) | Structure of bifunctional endonuclease (AtBFN2) in complex with phosphate. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ENDONUCLEASE 2, ... | Authors: | Yu, T.-F, Maestre-Reyna, M, Ko, C.-Y, Ko, T.-P, Sun, Y.-J, Lin, T.-Y, Shaw, J.-F, Wang, A.H.-J. | Deposit date: | 2014-04-09 | Release date: | 2014-07-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Insights of the Ssdna Binding Site in the Multifunctional Endonuclease Atbfn2 from Arabidopsis Thaliana. Plos One, 9, 2014
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7V6H
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![BU of 7v6h by Molmil](/molmil-images/mine/7v6h) | Crystal Structure of the SpnL | Descriptor: | Cyclopropane fatty-acyl-phospholipid synthase-like methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Wu, H.-H, Ko, T.-P, Liu, H.-W, Tsai, M.-D. | Deposit date: | 2021-08-20 | Release date: | 2021-12-29 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (3.054 Å) | Cite: | Evidence for an Enzyme-Catalyzed Rauhut-Currier Reaction during the Biosynthesis of Spinosyn A. J.Am.Chem.Soc., 143, 2021
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8J0A
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![BU of 8j0a by Molmil](/molmil-images/mine/8j0a) | Robust design of effective allosteric activator UbV R4 for Rsp5 E3 ligase using the machine-learning tool ProteinMPNN | Descriptor: | SULFATE ION, Ubiquitin variant R4 | Authors: | Lin, Y.-F, Hsieh, Y.-J, Kao, H.-W, Ko, T.-P, Wu, K.-P. | Deposit date: | 2023-04-10 | Release date: | 2023-08-09 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Robust Design of Effective Allosteric Activators for Rsp5 E3 Ligase Using the Machine Learning Tool ProteinMPNN. Acs Synth Biol, 12, 2023
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1SD7
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![BU of 1sd7 by Molmil](/molmil-images/mine/1sd7) | Crystal Structure of a SeMet derivative of MecI at 2.65 A | Descriptor: | Methicillin resistance regulatory protein mecI | Authors: | Safo, M.K, Zhao, Q, Musayev, F.N, Robinson, H, Scarsdale, N, Archer, G.L. | Deposit date: | 2004-02-13 | Release date: | 2004-02-24 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Crystal structures of the BlaI repressor from Staphylococcus aureus and its complex with DNA: insights into transcriptional regulation of the bla and mec operons J.Bacteriol., 187, 2005
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1SD4
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![BU of 1sd4 by Molmil](/molmil-images/mine/1sd4) | Crystal Structure of a SeMet derivative of BlaI at 2.0 A | Descriptor: | PENICILLINASE REPRESSOR, SULFATE ION | Authors: | Safo, M.K, Zhao, Q, Musayev, F.N, Robinson, H, Scarsdale, N, Archer, G.L. | Deposit date: | 2004-02-13 | Release date: | 2004-08-10 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of the BlaI repressor from Staphylococcus aureus and its complex with DNA: insights into transcriptional regulation of the bla and mec operons J.Bacteriol., 187, 2005
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1SD6
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![BU of 1sd6 by Molmil](/molmil-images/mine/1sd6) | Crystal Structure of Native MecI at 2.65 A | Descriptor: | Methicillin resistance regulatory protein mecI | Authors: | Safo, M.K, Zhao, Q, Musayev, F.N, Robinson, H, Scarsdale, N, Archer, G.L. | Deposit date: | 2004-02-13 | Release date: | 2004-02-24 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Crystal structures of the BlaI repressor from Staphylococcus aureus and its complex with DNA: insights into transcriptional regulation of the bla and mec operons J.Bacteriol., 187, 2005
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2D45
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![BU of 2d45 by Molmil](/molmil-images/mine/2d45) | Crystal structure of the MecI-mecA repressor-operator complex | Descriptor: | 5'-D(P*TP*AP*CP*TP*AP*CP*AP*TP*AP*TP*GP*TP*AP*GP*TP*A)-3', Methicillin resistance regulatory protein mecI | Authors: | Safo, M.K, Ko, T.-P, Musayev, F.N, Zhao, Q, Wang, A.H.-J, Archer, G.L. | Deposit date: | 2005-10-09 | Release date: | 2005-10-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Structure of the MecI repressor from Staphylococcus aureus in complex with the cognate DNA operator of mec. Acta Crystallogr.,Sect.F, 62, 2006
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2Z78
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![BU of 2z78 by Molmil](/molmil-images/mine/2z78) | S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with BPH-806 | Descriptor: | 3-(decyloxy)-5-(3,5-difluorophenyl)-1-(2,2-diphosphonoethyl)pyridinium, Geranylgeranyl pyrophosphate synthetase | Authors: | Chen, C.K.-M, Guo, R.T, Hudock, M, Cao, R, Oldfield, E, Wang, A.H.-J. | Deposit date: | 2007-08-16 | Release date: | 2008-07-08 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Inhibition of geranylgeranyl diphosphate synthase by bisphosphonates: a crystallographic and computational investigation J.Med.Chem., 51, 2008
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2Z4V
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![BU of 2z4v by Molmil](/molmil-images/mine/2z4v) | S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and GGPP (inhibitory site) | Descriptor: | GERANYLGERANYL DIPHOSPHATE, Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION | Authors: | Chen, C.K.-M, Guo, R.T, Hudock, M, Cao, R, Oldfield, E, Wang, A.H.-J. | Deposit date: | 2007-06-26 | Release date: | 2008-07-01 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Inhibition of geranylgeranyl diphosphate synthase by bisphosphonates: a crystallographic and computational investigation J.Med.Chem., 51, 2008
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2Z52
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![BU of 2z52 by Molmil](/molmil-images/mine/2z52) | S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and BPH-23 | Descriptor: | (1-HYDROXYDODECANE-1,1-DIYL)BIS(PHOSPHONIC ACID), Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION | Authors: | Guo, R.T, Chen, C.K.-M, Hudock, M, Cao, R, Oldfield, E, Wang, A.H.-J. | Deposit date: | 2007-06-26 | Release date: | 2008-07-01 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Inhibition of geranylgeranyl diphosphate synthase by bisphosphonates: a crystallographic and computational investigation J.Med.Chem., 51, 2008
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2Z4X
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![BU of 2z4x by Molmil](/molmil-images/mine/2z4x) | S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and BPH-252 (P21) | Descriptor: | (1-HYDROXYNONANE-1,1-DIYL)BIS(PHOSPHONIC ACID), Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION | Authors: | Guo, R.T, Chen, C.K.-M, Hudock, M, Cao, R, Oldfield, E, Wang, A.H.-J. | Deposit date: | 2007-06-26 | Release date: | 2008-07-01 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Inhibition of geranylgeranyl diphosphate synthase by bisphosphonates: a crystallographic and computational investigation J.Med.Chem., 51, 2008
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2Z4W
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![BU of 2z4w by Molmil](/molmil-images/mine/2z4w) | S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and BPH-749 | Descriptor: | Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION, [(6E,11E)-2,6,12,16-tetramethylheptadeca-2,6,11,15-tetraene-9,9-diyl]bis(phosphonic acid) | Authors: | Chen, C.K.-M, Guo, R.T, Hudock, M, Cao, R, Oldfield, E, Wang, A.H.-J. | Deposit date: | 2007-06-26 | Release date: | 2008-07-01 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Inhibition of geranylgeranyl diphosphate synthase by bisphosphonates: a crystallographic and computational investigation J.Med.Chem., 51, 2008
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3RNZ
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![BU of 3rnz by Molmil](/molmil-images/mine/3rnz) | |
3PJG
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![BU of 3pjg by Molmil](/molmil-images/mine/3pjg) | Crystal structure of UDP-glucose dehydrogenase from Klebsiella pneumoniae complexed with product UDP-glucuronic acid | Descriptor: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, UDP-glucose 6-dehydrogenase, URIDINE-5'-DIPHOSPHATE-GLUCURONIC ACID | Authors: | Chen, Y.-Y, Ko, T.-P, Lin, C.-H, Chen, W.-H, Wang, A.H.-J. | Deposit date: | 2010-11-10 | Release date: | 2011-09-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Conformational change upon product binding to Klebsiella pneumoniae UDP-glucose dehydrogenase: a possible inhibition mechanism for the key enzyme in polymyxin resistance. J.Struct.Biol., 175, 2011
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3PLR
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![BU of 3plr by Molmil](/molmil-images/mine/3plr) | Crystal structure of Klebsiella pneumoniae UDP-glucose 6-dehydrogenase complexed with NADH and UDP-glucose | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, UDP-glucose 6-dehydrogenase, URIDINE-5'-MONOPHOSPHATE | Authors: | Chen, Y.-Y, Ko, T.-P, Lin, C.-H, Chen, W.-H, Wang, A.H.-J. | Deposit date: | 2010-11-15 | Release date: | 2011-09-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Conformational change upon product binding to Klebsiella pneumoniae UDP-glucose dehydrogenase: a possible inhibition mechanism for the key enzyme in polymyxin resistance. J.Struct.Biol., 175, 2011
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3PID
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![BU of 3pid by Molmil](/molmil-images/mine/3pid) | The apo-form UDP-glucose 6-dehydrogenase with a C-terminal six-histidine tag | Descriptor: | UDP-glucose 6-dehydrogenase | Authors: | Chen, Y.-Y, Ko, T.-P, Lin, C.-H, Chen, W.-H, Wang, A.H.-J. | Deposit date: | 2010-11-06 | Release date: | 2011-09-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Conformational change upon product binding to Klebsiella pneumoniae UDP-glucose dehydrogenase: a possible inhibition mechanism for the key enzyme in polymyxin resistance. J.Struct.Biol., 175, 2011
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3PLN
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![BU of 3pln by Molmil](/molmil-images/mine/3pln) | Crystal structure of Klebsiella pneumoniae UDP-glucose 6-dehydrogenase complexed with UDP-glucose | Descriptor: | UDP-glucose 6-dehydrogenase, URIDINE-5'-MONOPHOSPHATE | Authors: | Chen, Y.-Y, Ko, T.-P, Lin, C.-H, Chen, W.-H, Wang, A.H.-J. | Deposit date: | 2010-11-15 | Release date: | 2011-09-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Conformational change upon product binding to Klebsiella pneumoniae UDP-glucose dehydrogenase: a possible inhibition mechanism for the key enzyme in polymyxin resistance. J.Struct.Biol., 175, 2011
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7YQN
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![BU of 7yqn by Molmil](/molmil-images/mine/7yqn) | Crystal structure of Ecoli malate synthase G | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, GLYCEROL, ... | Authors: | Wu, K.-P, Lu, Y.-C, Ko, T.-P. | Deposit date: | 2022-08-08 | Release date: | 2023-03-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Cryo-EM reveals the structure and dynamics of a 723-residue malate synthase G. J.Struct.Biol., 215, 2023
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4NI0
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![BU of 4ni0 by Molmil](/molmil-images/mine/4ni0) | Quaternary R3 CO-liganded hemoglobin structure in complex with a thiol containing compound | Descriptor: | 5-[(2S)-2,3-dihydro-1,4-benzodioxin-2-yl]-2,4-dihydro-3H-1,2,4-triazole-3-thione, CARBON MONOXIDE, Hemoglobin subunit alpha, ... | Authors: | Safo, M.K, Meadows, J, Ko, T.-P, Nakagawa, A, Zapol, W. | Deposit date: | 2013-11-05 | Release date: | 2014-08-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Identification of a Small Molecule that Increases Hemoglobin Oxygen Affinity and Reduces SS Erythrocyte Sickling. Acs Chem.Biol., 9, 2014
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4NI1
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![BU of 4ni1 by Molmil](/molmil-images/mine/4ni1) | Quaternary R CO-liganded hemoglobin structure in complex with a thiol containing compound | Descriptor: | 5-[(2R)-2,3-dihydro-1,4-benzodioxin-2-yl]-2,4-dihydro-3H-1,2,4-triazole-3-thione, CARBON MONOXIDE, Hemoglobin subunit alpha, ... | Authors: | Safo, M.K, Meadows, J, Ko, T.-P, Nakagawa, A, Zapol, W. | Deposit date: | 2013-11-05 | Release date: | 2014-09-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Identification of a Small Molecule that Increases Hemoglobin Oxygen Affinity and Reduces SS Erythrocyte Sickling. Acs Chem.Biol., 9, 2014
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7D4O
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![BU of 7d4o by Molmil](/molmil-images/mine/7d4o) | cyclic trinucleotide synthase CdnD in complex with ATP and ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Cyclic AMP-AMP-GMP synthase, ... | Authors: | Yang, C.-S, Hou, M.-H, Tsai, C.-L, Wang, Y.-C, Ko, T.-P, Chen, Y. | Deposit date: | 2020-09-24 | Release date: | 2021-03-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Crystal structure and functional implication of a bacterial cyclic AMP-AMP-GMP synthetase. Nucleic Acids Res., 49, 2021
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7D48
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![BU of 7d48 by Molmil](/molmil-images/mine/7d48) | apo-form cyclic trinucleotide synthase CdnD | Descriptor: | Cyclic AMP-AMP-GMP synthase, SODIUM ION | Authors: | Yang, C.-S, Hou, M.-H, Tsai, C.-L, Wang, Y.-C, Ko, T.-P, Chen, Y. | Deposit date: | 2020-09-23 | Release date: | 2021-03-17 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal structure and functional implication of a bacterial cyclic AMP-AMP-GMP synthetase. Nucleic Acids Res., 49, 2021
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7D4U
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![BU of 7d4u by Molmil](/molmil-images/mine/7d4u) | ATP complex with double mutant cyclic trinucleotide synthase CdnD | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cyclic AMP-AMP-GMP synthase | Authors: | Yang, C.-S, Hou, M.-H, Tsai, C.-L, Wang, Y.-C, Ko, T.-P, Chen, Y. | Deposit date: | 2020-09-24 | Release date: | 2021-03-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure and functional implication of a bacterial cyclic AMP-AMP-GMP synthetase. Nucleic Acids Res., 49, 2021
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7D4S
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![BU of 7d4s by Molmil](/molmil-images/mine/7d4s) | apo-form cyclic trinucleotide synthase CdnD | Descriptor: | Cyclic AMP-AMP-GMP synthase, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MAGNESIUM ION | Authors: | Yang, C.-S, Hou, M.-H, Tsai, C.-L, Wang, Y.-C, Ko, T.-P, Chen, Y. | Deposit date: | 2020-09-24 | Release date: | 2021-03-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Crystal structure and functional implication of a bacterial cyclic AMP-AMP-GMP synthetase. Nucleic Acids Res., 49, 2021
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7D4J
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![BU of 7d4j by Molmil](/molmil-images/mine/7d4j) | ddATP complex of cyclic trinucleotide synthase CdnD | Descriptor: | 2',3'-dideoxyadenosine triphosphate, Cyclic AMP-AMP-GMP synthase, MAGNESIUM ION | Authors: | Yang, C.-S, Hou, M.-H, Tsai, C.-L, Wang, Y.-C, Ko, T.-P, Chen, Y. | Deposit date: | 2020-09-24 | Release date: | 2021-03-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Crystal structure and functional implication of a bacterial cyclic AMP-AMP-GMP synthetase. Nucleic Acids Res., 49, 2021
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