7DTS
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![BU of 7dts by Molmil](/molmil-images/mine/7dts) | Crystal structure of RNase L in complex with AC40357 | Descriptor: | 5'-O-MONOPHOSPHORYLADENYLYL(2'->5')ADENYLYL(2'->5')ADENOSINE, PHOSPHATE ION, Ribonuclease L, ... | Authors: | Tang, J, Huang, H. | Deposit date: | 2021-01-06 | Release date: | 2021-11-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | Identification of Small Molecule Inhibitors of RNase L by Fragment-Based Drug Discovery J.Med.Chem., 65, 2022
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3PIF
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5JR9
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![BU of 5jr9 by Molmil](/molmil-images/mine/5jr9) | Crystal structure of apo-NeC3PO | Descriptor: | NEQ131 | Authors: | Zhang, J, Gan, J. | Deposit date: | 2016-05-06 | Release date: | 2016-09-28 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis for single-stranded RNA recognition and cleavage by C3PO Nucleic Acids Res., 44, 2016
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8U8Q
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![BU of 8u8q by Molmil](/molmil-images/mine/8u8q) | V290N/S292F Streptomyces coelicolor Laccase | Descriptor: | BORIC ACID, COPPER (II) ION, Copper oxidase, ... | Authors: | Wang, J.-X, Lu, Y. | Deposit date: | 2023-09-18 | Release date: | 2023-11-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Increasing Reduction Potentials of Type 1 Copper Center and Catalytic Efficiency of Small Laccase from Streptomyces coelicolor through Secondary Coordination Sphere Mutations. Angew.Chem.Int.Ed.Engl., 62, 2023
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7ELW
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![BU of 7elw by Molmil](/molmil-images/mine/7elw) | Crystal structure of RNase L in complex with Myricetin | Descriptor: | 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, PHOSPHATE ION, Ribonuclease L, ... | Authors: | Tang, J, Huang, H. | Deposit date: | 2021-04-12 | Release date: | 2021-11-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.55 Å) | Cite: | Identification of Small Molecule Inhibitors of RNase L by Fragment-Based Drug Discovery J.Med.Chem., 65, 2022
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8U8P
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![BU of 8u8p by Molmil](/molmil-images/mine/8u8p) | S292F Streptomyces coelicolor Laccase | Descriptor: | BORIC ACID, COPPER (II) ION, Copper oxidase, ... | Authors: | Wang, J.-X, Lu, Y. | Deposit date: | 2023-09-18 | Release date: | 2023-11-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Increasing Reduction Potentials of Type 1 Copper Center and Catalytic Efficiency of Small Laccase from Streptomyces coelicolor through Secondary Coordination Sphere Mutations. Angew.Chem.Int.Ed.Engl., 62, 2023
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8U8S
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![BU of 8u8s by Molmil](/molmil-images/mine/8u8s) | Y229F/S292F Streptomyces coelicolor Laccase | Descriptor: | BORIC ACID, COPPER (II) ION, Copper oxidase, ... | Authors: | Wang, J.-X, Lu, Y. | Deposit date: | 2023-09-18 | Release date: | 2023-11-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | Increasing Reduction Potentials of Type 1 Copper Center and Catalytic Efficiency of Small Laccase from Streptomyces coelicolor through Secondary Coordination Sphere Mutations. Angew.Chem.Int.Ed.Engl., 62, 2023
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8U8T
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![BU of 8u8t by Molmil](/molmil-images/mine/8u8t) | Y229F/V290N Streptomyces coelicolor Laccase | Descriptor: | BORIC ACID, COPPER (II) ION, Copper oxidase, ... | Authors: | Wang, J.-X, Lu, Y. | Deposit date: | 2023-09-18 | Release date: | 2023-11-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Increasing Reduction Potentials of Type 1 Copper Center and Catalytic Efficiency of Small Laccase from Streptomyces coelicolor through Secondary Coordination Sphere Mutations. Angew.Chem.Int.Ed.Engl., 62, 2023
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8U8R
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![BU of 8u8r by Molmil](/molmil-images/mine/8u8r) | Y229F/V290N/S292F Streptomyces coelicolor Laccase | Descriptor: | BORIC ACID, COPPER (II) ION, Copper oxidase, ... | Authors: | Wang, J.-X, Lu, Y. | Deposit date: | 2023-09-18 | Release date: | 2023-11-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | Increasing Reduction Potentials of Type 1 Copper Center and Catalytic Efficiency of Small Laccase from Streptomyces coelicolor through Secondary Coordination Sphere Mutations. Angew.Chem.Int.Ed.Engl., 62, 2023
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8HOA
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![BU of 8hoa by Molmil](/molmil-images/mine/8hoa) | ScRIPK mutant K124R | Descriptor: | (2R,5R)-hexane-2,5-diol, ADENOSINE-5'-TRIPHOSPHATE, FORMIC ACID, ... | Authors: | Fang, J.L, Zhang, M.Q, Ming, Z.H. | Deposit date: | 2022-12-09 | Release date: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.676 Å) | Cite: | Receptor-like cytoplasmic kinase ScRIPK in sugarcane regulates disease resistance and drought tolerance in Arabidopsis. Front Plant Sci, 14, 2023
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8HO6
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![BU of 8ho6 by Molmil](/molmil-images/mine/8ho6) | ScRIPK WT | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ScRIPK kinase protein | Authors: | Fang, J.L, Zhang, M.Q. | Deposit date: | 2022-12-09 | Release date: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Receptor-like cytoplasmic kinase ScRIPK in sugarcane regulates disease resistance and drought tolerance in Arabidopsis. Front Plant Sci, 14, 2023
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8HOD
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![BU of 8hod by Molmil](/molmil-images/mine/8hod) | ScRIPK MUTANT-S253A, T254A | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, Hypothetical protein | Authors: | Fang, J.L, Zhang, M.Q. | Deposit date: | 2022-12-09 | Release date: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Receptor-like cytoplasmic kinase ScRIPK in sugarcane regulates disease resistance and drought tolerance in Arabidopsis. Front Plant Sci, 14, 2023
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5ED3
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![BU of 5ed3 by Molmil](/molmil-images/mine/5ed3) | crystal structure of human Hint1 complexing with AP5A | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE MONOPHOSPHATE, Histidine triad nucleotide-binding protein 1 | Authors: | Wang, J, Fang, P, Guo, M. | Deposit date: | 2015-10-20 | Release date: | 2017-01-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.309 Å) | Cite: | Second messenger Ap4A polymerizes target protein HINT1 to transduce signals in Fc epsilon RI-activated mast cells. Nat Commun, 10, 2019
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5EJD
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![BU of 5ejd by Molmil](/molmil-images/mine/5ejd) | The crystal structure of holo T3CT | Descriptor: | 4'-PHOSPHOPANTETHEINE, GLYCEROL, TqaA | Authors: | Zhang, J.R, Tang, Y, Zhou, J.H. | Deposit date: | 2015-11-01 | Release date: | 2016-10-19 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Structural basis of nonribosomal peptide macrocyclization in fungi Nat.Chem.Biol., 12, 2016
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5EGF
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![BU of 5egf by Molmil](/molmil-images/mine/5egf) | The crystal structure of SeMet-CT | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 1,2-ETHANEDIOL, TqaA | Authors: | Zhang, J.R, Tang, Y, Zhou, J.H. | Deposit date: | 2015-10-27 | Release date: | 2016-10-19 | Last modified: | 2020-02-19 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Structural basis of nonribosomal peptide macrocyclization in fungi Nat.Chem.Biol., 12, 2016
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8U8X
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![BU of 8u8x by Molmil](/molmil-images/mine/8u8x) | crystal structure of the receptor tyrosine kinase Human HER2 (ERBB2) YVMA mutant kinase domain in complex with inhibitor compound 27 | Descriptor: | 1-{(1R,3r,5S)-3-[(3M)-4-methyl-3-{3-methyl-4-[(1-methyl-1H-benzimidazol-5-yl)oxy]phenyl}-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl}propan-1-one, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Wang, J, Mou, T.C. | Deposit date: | 2023-09-18 | Release date: | 2024-06-12 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Discovery of Potent and Selective Covalent Inhibitors of HER2 WT and HER2 YVMA . J.Med.Chem., 67, 2024
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6VW1
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![BU of 6vw1 by Molmil](/molmil-images/mine/6vw1) | Structure of SARS-CoV-2 chimeric receptor-binding domain complexed with its receptor human ACE2 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Shang, J, Ye, G, Shi, K, Wan, Y.S, Aihara, H, Li, F. | Deposit date: | 2020-02-18 | Release date: | 2020-03-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Structural basis of receptor recognition by SARS-CoV-2. Nature, 581, 2020
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6PZP
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![BU of 6pzp by Molmil](/molmil-images/mine/6pzp) | Crystal structure of caspase-1 in complex with VX-765 | Descriptor: | Caspase-1, N-(4-amino-3-chlorobenzene-1-carbonyl)-3-methyl-L-valyl-N-[(2S)-1-carboxy-3-oxopropan-2-yl]-L-prolinamide | Authors: | Yang, J, Liu, Z, Xiao, T.S. | Deposit date: | 2019-08-01 | Release date: | 2020-08-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Crystal structure of caspase-1 in complex with VX-765 To Be Published
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4WUZ
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![BU of 4wuz by Molmil](/molmil-images/mine/4wuz) | Crystal structure of lambda exonuclease in complex with DNA and Ca2+ | Descriptor: | CALCIUM ION, DNA (5'-D(*TP*T*TP*CP*GP*GP*TP*AP*CP*AP*GP*TP*AP*G)-3'), DNA (5'-D(P*AP*GP*CP*TP*AP*CP*TP*GP*TP*AP*CP*CP*GP*A)-3'), ... | Authors: | Zhang, J, Bell, C.E. | Deposit date: | 2014-11-04 | Release date: | 2014-11-19 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Crystal Structure of lambda Exonuclease in Complex with DNA and Ca(2+). Biochemistry, 53, 2014
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6VJL
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![BU of 6vjl by Molmil](/molmil-images/mine/6vjl) | Streptavidin mutant M112 (G26C/A46C) | Descriptor: | BIOTIN, Streptavidin | Authors: | Marangoni, J.M, Wu, S.C, Fogen, D, Wong, S.L, Ng, K.K.S. | Deposit date: | 2020-01-16 | Release date: | 2020-12-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Engineering a disulfide-gated switch in streptavidin enables reversible binding without sacrificing binding affinity. Sci Rep, 10, 2020
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3PIE
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3QAX
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4OUH
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![BU of 4ouh by Molmil](/molmil-images/mine/4ouh) | |
5ED6
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![BU of 5ed6 by Molmil](/molmil-images/mine/5ed6) | crystal structure of human Hint1 H114A mutant complexing with ATP | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE MONOPHOSPHATE, Histidine triad nucleotide-binding protein 1 | Authors: | Wang, J, Fang, P, Guo, M. | Deposit date: | 2015-10-20 | Release date: | 2017-01-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Second messenger Ap4A polymerizes target protein HINT1 to transduce signals in Fc epsilon RI-activated mast cells. Nat Commun, 10, 2019
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3HYM
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![BU of 3hym by Molmil](/molmil-images/mine/3hym) | Insights into Anaphase Promoting Complex TPR subdomain assembly from a CDC26-APC6 structure | Descriptor: | Anaphase-promoting complex subunit CDC26, Cell division cycle protein 16 homolog | Authors: | Wang, J, Dye, B.T, Rajashankar, K.R, Kurinov, I, Schulman, B.A. | Deposit date: | 2009-06-22 | Release date: | 2009-08-11 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Insights into anaphase promoting complex TPR subdomain assembly from a CDC26-APC6 structure. Nat.Struct.Mol.Biol., 16, 2009
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