6BCS
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![BU of 6bcs by Molmil](/molmil-images/mine/6bcs) | LilrB2 D1D2 domains complexed with benzamidine | Descriptor: | BENZAMIDINE, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Cao, Q, Sawaya, M.R, Eisenberg, D.S. | Deposit date: | 2017-10-20 | Release date: | 2018-09-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Inhibiting amyloid-beta cytotoxicity through its interaction with the cell surface receptor LilrB2 by structure-based design. Nat Chem, 10, 2018
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8SFD
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![BU of 8sfd by Molmil](/molmil-images/mine/8sfd) | Crystal structure of the engineered SsoPox variant IVB10 | Descriptor: | Aryldialkylphosphatase, COBALT (II) ION, FE (III) ION, ... | Authors: | Jacquet, P, Billot, R, Shimon, A, Hoekstra, N, Bergonzi, C, Jenks, A, Daude, D, Elias, M.H. | Deposit date: | 2023-04-10 | Release date: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Changes in Active Site Loops Conformation Relates to a Transition from Lactonase to Phosphotriesterase To Be Published
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8SFK
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![BU of 8sfk by Molmil](/molmil-images/mine/8sfk) | Crystal structure of the engineered SsoPox variant IVE2 | Descriptor: | Aryldialkylphosphatase, COBALT (II) ION, FE (III) ION, ... | Authors: | Jacquet, P, Billot, R, Shimon, A, Hoekstra, N, Bergonzi, C, Jenks, A, Daude, D, Elias, M.H. | Deposit date: | 2023-04-11 | Release date: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Changes in Active Site Loops Conformation Relates to a Transition from Lactonase to Phosphotriesterase To Be Published
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8SFB
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![BU of 8sfb by Molmil](/molmil-images/mine/8sfb) | Crystal structure of the engineered SsoPox variant IVA4 | Descriptor: | Aryldialkylphosphatase, COBALT (II) ION, FE (III) ION, ... | Authors: | Jacquet, P, Billot, R, Shimon, A, Hoekstra, N, Bergonzi, C, Jenks, A, Daude, D, Elias, M.H. | Deposit date: | 2023-04-10 | Release date: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Changes in Active Site Loops Conformation Relates to a Transition from Lactonase to Phosphotriesterase To Be Published
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8SFC
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![BU of 8sfc by Molmil](/molmil-images/mine/8sfc) | Crystal structure of the engineered SsoPox variant IVA4 in alternate state | Descriptor: | Aryldialkylphosphatase, COBALT (II) ION, FE (III) ION, ... | Authors: | Jacquet, P, Billot, R, Shimon, A, Hoekstra, N, Bergonzi, C, Jenks, A, Daude, D, Elias, M.H. | Deposit date: | 2023-04-10 | Release date: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Changes in Active Site Loops Conformation Relates to a Transition from Lactonase to Phosphotriesterase To Be Published
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3NQV
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![BU of 3nqv by Molmil](/molmil-images/mine/3nqv) | Optimization of the in silico designed Kemp eliminase KE70 by computational design and directed evolution R5 7/4A | Descriptor: | BENZAMIDINE, deoxyribose phosphate aldolase | Authors: | Khersonsky, O, Rothlisberge, D, Wollacott, A.M, Dym, O, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2010-06-29 | Release date: | 2011-02-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Optimization of the in-silico-designed kemp eliminase KE70 by computational design and directed evolution J.Mol.Biol., 407, 2011
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6VCN
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![BU of 6vcn by Molmil](/molmil-images/mine/6vcn) | Crystal structure of E.coli RppH in complex with ppcpG | Descriptor: | PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, RNA pyrophosphohydrolase, SULFATE ION | Authors: | Gao, A, Vasilyev, N, Kaushik, A, Duan, W, Serganov, A. | Deposit date: | 2019-12-21 | Release date: | 2020-02-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Principles of RNA and nucleotide discrimination by the RNA processing enzyme RppH. Nucleic Acids Res., 48, 2020
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8D7M
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![BU of 8d7m by Molmil](/molmil-images/mine/8d7m) | Human Casein kinase 1 delta in complex with phosphorylated human PERIOD2 FASP peptide | Descriptor: | Casein kinase I isoform delta, Period circadian protein homolog 2 peptide | Authors: | Philpott, J.M, Freeberg, A.M, Tripathi, S.M, Partch, C.L. | Deposit date: | 2022-06-07 | Release date: | 2023-05-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | PERIOD phosphorylation leads to feedback inhibition of CK1 activity to control circadian period. Mol.Cell, 83, 2023
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8D7O
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![BU of 8d7o by Molmil](/molmil-images/mine/8d7o) | Human Casein kinase 1 delta in complex with phosphorylated human PERIOD2 FASP peptide | Descriptor: | Casein kinase I isoform delta, Period circadian protein homolog 2 peptide | Authors: | Philpott, J.M, Freeberg, A.M, Tripathi, S.M, Partch, C.L. | Deposit date: | 2022-06-07 | Release date: | 2023-05-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | PERIOD phosphorylation leads to feedback inhibition of CK1 activity to control circadian period. Mol.Cell, 83, 2023
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8D7P
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![BU of 8d7p by Molmil](/molmil-images/mine/8d7p) | Human Casein kinase 1 delta in complex with phosphorylated Drosophila PERIOD peptide | Descriptor: | Casein kinase I isoform delta, Period circadian protein peptide | Authors: | Philpott, J.M, Freeberg, A.M, Tripathi, S.M, Partch, C.L. | Deposit date: | 2022-06-07 | Release date: | 2023-05-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | PERIOD phosphorylation leads to feedback inhibition of CK1 activity to control circadian period. Mol.Cell, 83, 2023
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8D7N
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![BU of 8d7n by Molmil](/molmil-images/mine/8d7n) | Human Casein kinase 1 delta in complex with phosphorylated human PERIOD2 FASP peptide | Descriptor: | Casein kinase I isoform delta, Period circadian protein homolog 2 peptide | Authors: | Philpott, J.M, Freeberg, A.M, Tripathi, S.M, Partch, C.L. | Deposit date: | 2022-06-07 | Release date: | 2023-05-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | PERIOD phosphorylation leads to feedback inhibition of CK1 activity to control circadian period. Mol.Cell, 83, 2023
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8R15
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![BU of 8r15 by Molmil](/molmil-images/mine/8r15) | Crystal structure of Fusarium oxysporum NADase I | Descriptor: | GLYCEROL, TNT domain-containing protein, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Kallio, J.P, Ferrario, E, Stromland, O, Ziegler, M. | Deposit date: | 2023-11-01 | Release date: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Evolution of fungal tuberculosis necrotizing toxin (TNT) domain-containing enzymes reveals divergent adaptations to enhance NAD cleavage. Protein Sci., 33, 2024
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6PQ5
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![BU of 6pq5 by Molmil](/molmil-images/mine/6pq5) | |
6BKG
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![BU of 6bkg by Molmil](/molmil-images/mine/6bkg) | Human LigIV catalytic domain with bound DNA-adenylate intermediate in closed conformation | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, CHLORIDE ION, ... | Authors: | Moon, A.F, Tumbale, P.P, Schellenberg, M.J, Williams, R.S, Williams, J.G, Kunkel, T.A, Pedersen, L.C, Bebenek, B. | Deposit date: | 2017-11-08 | Release date: | 2018-07-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.402 Å) | Cite: | Structures of DNA-bound human ligase IV catalytic core reveal insights into substrate binding and catalysis. Nat Commun, 9, 2018
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6VCM
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![BU of 6vcm by Molmil](/molmil-images/mine/6vcm) | Crystal structure of E.coli RppH-DapF in complex with GTP, Mg2+ and F- | Descriptor: | CHLORIDE ION, Diaminopimelate epimerase, FLUORIDE ION, ... | Authors: | Gao, A, Vasilyev, N, Kaushik, A, Duan, W, Serganov, A. | Deposit date: | 2019-12-21 | Release date: | 2020-02-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Principles of RNA and nucleotide discrimination by the RNA processing enzyme RppH. Nucleic Acids Res., 48, 2020
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7C21
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![BU of 7c21 by Molmil](/molmil-images/mine/7c21) | Crystal structure of Duvenhage virus phosphoprotein C-terminal domain | Descriptor: | Phosphoprotein | Authors: | Sugiyama, A, Jiang, X, Maenaka, K, Yao, M, Ose, T. | Deposit date: | 2020-05-06 | Release date: | 2021-03-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural comparison of the C-terminal domain of functionally divergent lyssavirus P proteins. Biochem.Biophys.Res.Commun., 529, 2020
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6CD5
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![BU of 6cd5 by Molmil](/molmil-images/mine/6cd5) | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor XMD17-26 | Descriptor: | 1,2-ETHANEDIOL, 11-cyclopentyl-2-[[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl-phenyl]amino]-5-methyl-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4, ... | Authors: | Xu, X, Blacklow, S.C. | Deposit date: | 2018-02-08 | Release date: | 2019-01-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains. ACS Chem. Biol., 13, 2018
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7C20
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![BU of 7c20 by Molmil](/molmil-images/mine/7c20) | |
8D52
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![BU of 8d52 by Molmil](/molmil-images/mine/8d52) | Parathyroid hormone 1 receptor extracellular domain complexed with a peptide ligand containing (2-naphthyl)-beta-3-homoalanine | Descriptor: | 1,2-ETHANEDIOL, PTHrP[1-36], Parathyroid hormone/parathyroid hormone-related peptide receptor, ... | Authors: | Yu, Z, Kreitler, D.F, Gellman, S.H. | Deposit date: | 2022-06-03 | Release date: | 2023-06-14 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Harnessing Aromatic-Histidine Interactions through Synergistic Backbone Extension and Side Chain Modification. Angew.Chem.Int.Ed.Engl., 62, 2023
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6CEY
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![BU of 6cey by Molmil](/molmil-images/mine/6cey) | Aminoglycoside Phosphotransferase (2'')-Ia in complex with GMPPNP, Magnesium, and Lividomycin moieties | Descriptor: | (2R,3S,4S,5S,6R)-2-((2S,3S,4R,5R,6R)-5-AMINO-2-(AMINOMETHYL)-6-((2R,3S,4R,5S)-5-((1R,2R,3S,5R,6S)-3,5-DIAMINO-2-((2S,3R ,5S,6R)-3-AMINO-5-HYDROXY-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-6-HYDROXYCYCLOHEXYLOXY)-4-HYDROXY-2-(HYDROXYMET HYL)-TETRAHYDROFURAN-3-YLOXY)-4-HYDROXY-TETRAHYDRO-2H-PYRAN-3-YLOXY)-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-3,4,5-TRIOL, Bifunctional AAC/APH, CHLORIDE ION, ... | Authors: | Caldwell, S.J, Berghuis, A.M. | Deposit date: | 2018-02-13 | Release date: | 2018-04-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Plasticity of Aminoglycoside Binding to Antibiotic Kinase APH(2′′)-Ia. Antimicrob. Agents Chemother., 62, 2018
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6EYU
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![BU of 6eyu by Molmil](/molmil-images/mine/6eyu) | Crystal structure of the inward H(+) pump xenorhodopsin | Descriptor: | Bacteriorhodopsin, EICOSANE, RETINAL, ... | Authors: | Kovalev, K, Shevchenko, V, Polovinkin, V, Mager, T, Gushchin, I, Melnikov, I, Borshchevskiy, V, Popov, A, Alekseev, A, Gordeliy, V. | Deposit date: | 2017-11-13 | Release date: | 2017-12-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Inward H(+) pump xenorhodopsin: Mechanism and alternative optogenetic approach. Sci Adv, 3, 2017
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6VGN
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![BU of 6vgn by Molmil](/molmil-images/mine/6vgn) | ClpP1P2 complex from M. tuberculosis bound to ADEP | Descriptor: | ATP-dependent Clp protease proteolytic subunit, ATP-dependent Clp protease proteolytic subunit 1, R0M-WFP-ALO-PRO-YCP-ALA-MP8 | Authors: | Ripstein, Z.A, Vahidi, S, Rubinstein, J.L, Kay, L.E. | Deposit date: | 2020-01-08 | Release date: | 2020-03-18 | Last modified: | 2020-04-01 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | An allosteric switch regulatesMycobacterium tuberculosisClpP1P2 protease function as established by cryo-EM and methyl-TROSY NMR. Proc.Natl.Acad.Sci.USA, 117, 2020
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6VCO
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![BU of 6vco by Molmil](/molmil-images/mine/6vco) | Crystal structure of E.coli RppH in complex with ppcpA | Descriptor: | DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, RNA pyrophosphohydrolase | Authors: | Gao, A, Vasilyev, N, Kaushik, A, Duan, W, Serganov, A. | Deposit date: | 2019-12-21 | Release date: | 2020-02-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Principles of RNA and nucleotide discrimination by the RNA processing enzyme RppH. Nucleic Acids Res., 48, 2020
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8D51
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![BU of 8d51 by Molmil](/molmil-images/mine/8d51) | Parathyroid hormone 1 receptor extracellular domain complexed with a peptide ligand containing beta-3-homotryptophan | Descriptor: | 1,2-ETHANEDIOL, PTHrP[1-36], Parathyroid hormone/parathyroid hormone-related peptide receptor, ... | Authors: | Yu, Z, Kreitler, D.F, Gellman, S.H. | Deposit date: | 2022-06-03 | Release date: | 2023-06-14 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Harnessing Aromatic-Histidine Interactions through Synergistic Backbone Extension and Side Chain Modification. Angew.Chem.Int.Ed.Engl., 62, 2023
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7BBM
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![BU of 7bbm by Molmil](/molmil-images/mine/7bbm) | Mutant nitrobindin M75L/H76L/Q96C/M148L (NB4H) from Arabidopsis thaliana with cofactor MnPPIX | Descriptor: | 1,2-ETHANEDIOL, MANGANESE PROTOPORPHYRIN IX, UPF0678 fatty acid-binding protein-like protein At1g79260 | Authors: | Minges, A, Sauer, D.F, Wittwer, M, Markel, U, Spiertz, M, Schiffels, J, Davari, M.D, Okuda, J, Schwaneberg, U, Groth, G. | Deposit date: | 2020-12-18 | Release date: | 2021-05-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | Chemogenetic engineering of nitrobindin toward an artificial epoxygenase Catalysis Science And Technology, 2021
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