7VWP
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![BU of 7vwp by Molmil](/molmil-images/mine/7vwp) | Structure of the flavin-dependent monooxygenase FlsO1 from the biosynthesis of fluostatinsin | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, FlsO1, PHOSPHATE ION, ... | Authors: | Zhang, Y, Yang, C, Zhang, L, Zhang, C. | Deposit date: | 2021-11-11 | Release date: | 2022-09-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Biochemical and structural insights of multifunctional flavin-dependent monooxygenase FlsO1-catalyzed unexpected xanthone formation Nat Commun, 13, 2022
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7V8R
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![BU of 7v8r by Molmil](/molmil-images/mine/7v8r) | Crystal structure of cyclohexanone monooxygenase from T. municipale mutant L437T complexed with NADP+ and FAD in space group of C2221 | Descriptor: | 1,2-ETHANEDIOL, Cyclohexanone Monooxygenase from Thermocrispum municipale, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Li, T, Li, G.Y, Yin, H. | Deposit date: | 2021-08-23 | Release date: | 2022-07-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.764 Å) | Cite: | Biocatalytic Baeyer-Villiger Reactions: Uncovering the Source of Regioselectivity at Each Evolutionary Stage of a Mutant with Scrutiny of Fleeting Chiral Intermediates. Acs Catalysis, 12, 2022
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7V8S
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![BU of 7v8s by Molmil](/molmil-images/mine/7v8s) | Crystal structure of cyclohexanone monooxygenase from T. municipale mutant L437T complexed with NADP+ and FAD in space group of P1211 | Descriptor: | Cyclohexanone Monooxygenase from Thermocrispum municipale, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Li, T, Li, G.Y, Yin, H. | Deposit date: | 2021-08-23 | Release date: | 2022-07-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Biocatalytic Baeyer-Villiger Reactions: Uncovering the Source of Regioselectivity at Each Evolutionary Stage of a Mutant with Scrutiny of Fleeting Chiral Intermediates. Acs Catalysis, 12, 2022
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1F6O
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![BU of 1f6o by Molmil](/molmil-images/mine/1f6o) | CRYSTAL STRUCTURE OF THE HUMAN AAG DNA REPAIR GLYCOSYLASE COMPLEXED WITH DNA | Descriptor: | 3-METHYL-ADENINE DNA GLYCOSYLASE, DNA (5'-D(*GP*AP*CP*AP*TP*GP*(YRR)P*TP*TP*GP*CP*CP*T)-3'), DNA (5'-D(*GP*GP*CP*AP*AP*TP*CP*AP*TP*GP*TP*CP*A)-3'), ... | Authors: | Lau, A.Y, Wyatt, M.D, Glassner, B.J, Samson, L.D, Ellenberger, T. | Deposit date: | 2000-06-22 | Release date: | 2000-12-11 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Molecular basis for discriminating between normal and damaged bases by the human alkyladenine glycosylase, AAG. Proc.Natl.Acad.Sci.USA, 97, 2000
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7KYR
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7VMF
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7L6C
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1WY4
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![BU of 1wy4 by Molmil](/molmil-images/mine/1wy4) | Chicken villin subdomain HP-35, K65(NLE), N68H, pH5.1 | Descriptor: | IODIDE ION, SODIUM ION, Villin | Authors: | Chiu, T.K, Kubelka, J, Herbst-Irmer, R, Eaton, W.A, Hofrichter, J, Davies, D.R. | Deposit date: | 2005-02-04 | Release date: | 2005-05-03 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | High-resolution x-ray crystal structures of the villin headpiece subdomain, an ultrafast folding protein. Proc.Natl.Acad.Sci.Usa, 102, 2005
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1X26
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![BU of 1x26 by Molmil](/molmil-images/mine/1x26) | Solution structure of the AA-mismatch DNA complexed with naphthyridine-azaquinolone | Descriptor: | 5'-D(*CP*AP*TP*TP*CP*AP*GP*TP*TP*AP*G)-3', 5'-D(*CP*TP*AP*AP*CP*AP*GP*AP*AP*TP*G)-3', N~3~-{3-[(7-METHYL-1,8-NAPHTHYRIDIN-2-YL)AMINO]-3-OXOPROPYL}-N~1~-[(7-OXO-7,8-DIHYDRO-1,8-NAPHTHYRIDIN-2-YL)METHYL]-BET A-ALANINAMIDE | Authors: | Nakatani, K, Hagihara, S, Goto, Y, Kobori, A, Hagihara, M, Hayashi, G, Kyo, M, Nomura, M, Mishima, M, Kojima, C. | Deposit date: | 2005-04-20 | Release date: | 2006-04-04 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Small-molecule ligand induces nucleotide flipping in (CAG)n trinucleotide repeats Nat.Chem.Biol., 1, 2005
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7VH4
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![BU of 7vh4 by Molmil](/molmil-images/mine/7vh4) | Crystal structure of oligoribonuclease of Escherichia coli | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | Authors: | Badhwar, P, Taneja, B. | Deposit date: | 2021-09-20 | Release date: | 2022-09-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Three-dimensional structure of a mycobacterial oligoribonuclease reveals a unique C-terminal tail that stabilizes the homodimer. J.Biol.Chem., 298, 2022
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7KUQ
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7L35
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![BU of 7l35 by Molmil](/molmil-images/mine/7l35) | Human DNA Ligase 1 - R771W nicked DNA complex | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Tumbale, P.P, Williams, R.S, Schellenberg, M.S. | Deposit date: | 2020-12-17 | Release date: | 2021-01-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | LIG1 syndrome mutations remodel a cooperative network of ligand binding interactions to compromise ligation efficiency. Nucleic Acids Res., 49, 2021
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1WN2
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7VPE
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![BU of 7vpe by Molmil](/molmil-images/mine/7vpe) | Falcilysin in complex with A1 | Descriptor: | (4S,5S)-1-[[3-[[(4S,5S)-4,5-diphenyl-4,5-dihydroimidazol-1-yl]methyl]phenyl]methyl]-4,5-diphenyl-4,5-dihydroimidazole, ACETATE ION, CHLORIDE ION, ... | Authors: | Lin, J.Q, El Sahili, A, Lescar, J. | Deposit date: | 2021-10-16 | Release date: | 2022-10-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Title is not available yet as we are preparing the manuscript. Will update again once the paper is out. To Be Published
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1F80
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![BU of 1f80 by Molmil](/molmil-images/mine/1f80) | HOLO-(ACYL CARRIER PROTEIN) SYNTHASE IN COMPLEX WITH HOLO-(ACYL CARRIER PROTEIN) | Descriptor: | ACYL CARRIER PROTEIN, HOLO-(ACYL CARRIER PROTEIN) SYNTHASE, SODIUM ION | Authors: | Parris, K.D, Lin, L, Tam, A, Mathew, R, Hixon, J, Stahl, M, Fritz, C.C, Seehra, J, Somers, W.S. | Deposit date: | 2000-06-28 | Release date: | 2001-06-28 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structures of substrate binding to Bacillus subtilis holo-(acyl carrier protein) synthase reveal a novel trimeric arrangement of molecules resulting in three active sites. Structure Fold.Des., 8, 2000
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7KUR
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7KGP
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![BU of 7kgp by Molmil](/molmil-images/mine/7kgp) | Crystal Structure of HLA-A*0201 in complex with SARS-CoV-2 N316-324 | Descriptor: | ACETATE ION, Beta-2-microglobulin, CADMIUM ION, ... | Authors: | Szeto, C, Chatzileontiadou, D.S.M, Riboldi-Tunnicliffe, A, Gras, S. | Deposit date: | 2020-10-18 | Release date: | 2021-01-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.396 Å) | Cite: | The presentation of SARS-CoV-2 peptides by the common HLA-A * 02:01 molecule. Iscience, 24, 2021
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7KUT
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![BU of 7kut by Molmil](/molmil-images/mine/7kut) | Crystal Structure of Danio rerio Histone Deacetylase 10 H137A Mutant in Complex with N-Acetylputrescine (Tetrahedral Intermediate) | Descriptor: | 1,2-ETHANEDIOL, 1-[(4-aminobutyl)amino]ethane-1,1-diol, DI(HYDROXYETHYL)ETHER, ... | Authors: | Herbst-Gervasoni, C.J, Christianson, D.W. | Deposit date: | 2020-11-25 | Release date: | 2021-02-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | X-ray Crystallographic Snapshots of Substrate Binding in the Active Site of Histone Deacetylase 10. Biochemistry, 60, 2021
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7KIA
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![BU of 7kia by Molmil](/molmil-images/mine/7kia) | Crystal structure of FGFR2 kinase domain gatekeeper mutant V564F in complex with covalent compound 19 | Descriptor: | 1-[4-(4-{4-(4-methylpiperazin-1-yl)-6-[(3-methyl-1H-pyrazol-5-yl)amino]pyrimidin-2-yl}phenyl)piperidin-1-yl]prop-2-en-1-one, CITRATE ANION, Fibroblast growth factor receptor 2, ... | Authors: | Ke, J, Wibowo, A.S, Carter, J.J, Larsen, N.A. | Deposit date: | 2020-10-23 | Release date: | 2021-02-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Discovery of Aminopyrazole Derivatives as Potent Inhibitors of Wild-Type and Gatekeeper Mutant FGFR2 and 3. Acs Med.Chem.Lett., 12, 2021
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7W5O
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![BU of 7w5o by Molmil](/molmil-images/mine/7w5o) | Crystal structure of ERK2 with an allosteric inhibitor | Descriptor: | (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, 13-[4-({Imidazo[1,2-a]pyridin-2-yl}methoxy)phenyl]-4,8-dioxa-12,14,16,18-tetraazatetracyclo[9.7.0.0^{3,9}.0^{12,17}]octadeca-1(11),2,9,15,17-pentaen-15-amine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Yoshida, M, Kinoshita, T. | Deposit date: | 2021-11-30 | Release date: | 2022-02-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Identification of a novel target site for ATP-independent ERK2 inhibitors. Biochem.Biophys.Res.Commun., 593, 2022
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7W45
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![BU of 7w45 by Molmil](/molmil-images/mine/7w45) | Complex structure of a leaf-branch compost cutinase variant LCC ICCG_KIP | Descriptor: | CALCIUM ION, Leaf-branch compost cutinase, SODIUM ION | Authors: | Niu, D, Zeng, W, Huang, J.W, Chen, C.C, Liu, W.D, Guo, R.T. | Deposit date: | 2021-11-26 | Release date: | 2022-03-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Substrate-Binding Mode of a Thermophilic PET Hydrolase and Engineering the Enzyme to Enhance the Hydrolytic Efficacy. Acs Catalysis, 12, 2022
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7KV2
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![BU of 7kv2 by Molmil](/molmil-images/mine/7kv2) | Surface glycan-binding protein A from Bacteroides thetaiotaomicron | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, RagB/SusD family nutrient uptake outer membrane protein, ... | Authors: | Tamura, K, Brumer, H, Van Petegem, F. | Deposit date: | 2020-11-26 | Release date: | 2021-02-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Distinct protein architectures mediate species-specific beta-glucan binding and metabolism in the human gut microbiota. J.Biol.Chem., 296, 2021
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7KZA
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7WRF
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![BU of 7wrf by Molmil](/molmil-images/mine/7wrf) | Mouse TRPM8 in lipid nanodiscs in the presence of calcium, icilin and PI(4,5)P2 | Descriptor: | CALCIUM ION, Icilin, SODIUM ION, ... | Authors: | Zhao, C, Xie, Y, Guo, J. | Deposit date: | 2022-01-26 | Release date: | 2022-06-22 | Method: | ELECTRON MICROSCOPY (3.04 Å) | Cite: | Structures of a mammalian TRPM8 in closed state. Nat Commun, 13, 2022
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7L7X
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![BU of 7l7x by Molmil](/molmil-images/mine/7l7x) | X-ray structure of the Pcryo_0638 aminotransferase from Psychrobacter cryohalolentis | Descriptor: | 1,2-ETHANEDIOL, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, DegT/DnrJ/EryC1/StrS aminotransferase, ... | Authors: | Linehan, M.P, Thoden, J.B, Holden, H.M. | Deposit date: | 2020-12-30 | Release date: | 2021-03-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Characterization of two enzymes from Psychrobacter cryohalolentis that are required for the biosynthesis of an unusual diacetamido-d-sugar. J.Biol.Chem., 296, 2021
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