1MNS
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7W8L
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![BU of 7w8l by Molmil](/molmil-images/mine/7w8l) | Crystal Structure of Co-type nitrile hydratase mutant from Pseudonocardia thermophila - M46R | Descriptor: | COBALT (II) ION, Cobalt-containing nitrile hydratase subunit beta, Nitrile hydratase | Authors: | Ma, D, Cheng, Z.Y, Hou, X.D, Peplowski, L, Lai, Q.P, Fu, K, Yin, D.J, Rao, Y.J, Zhou, Z.M. | Deposit date: | 2021-12-08 | Release date: | 2022-08-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.301 Å) | Cite: | Insight into the broadened substrate scope of nitrile hydratase by static and dynamic structure analysis. Chem Sci, 13, 2022
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7W8M
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![BU of 7w8m by Molmil](/molmil-images/mine/7w8m) | Crystal structure of Co-type nitrile hydratase mutant from Pseudomonas thermophila - A129R | Descriptor: | COBALT (II) ION, Cobalt-containing nitrile hydratase subunit beta, Nitrile hydratase | Authors: | Ma, D, Cheng, Z.Y, Hou, X.D, Peplowski, L, Lai, Q.P, Fu, K, Yin, D.J, Rao, Y.J, Zhou, Z.M. | Deposit date: | 2021-12-08 | Release date: | 2022-08-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Insight into the broadened substrate scope of nitrile hydratase by static and dynamic structure analysis. Chem Sci, 13, 2022
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7FBS
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![BU of 7fbs by Molmil](/molmil-images/mine/7fbs) | structure of a channel | Descriptor: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1-[2-[(2R)-2-oxidanyl-3-(propylamino)propoxy]phenyl]-3-phenyl-propan-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Jiang, D.J, Catterall, W.A. | Deposit date: | 2021-07-12 | Release date: | 2021-09-22 | Last modified: | 2022-02-16 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Open-state structure and pore gating mechanism of the cardiac sodium channel. Cell, 184, 2021
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7F18
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![BU of 7f18 by Molmil](/molmil-images/mine/7f18) | Crystal Structure of a mutant of acid phosphatase from Pseudomonas aeruginosa (Q57H/W58P/D135R) | Descriptor: | Acid phosphatase | Authors: | Xu, X, Hou, X.D, Song, W, Yin, D.J, Rao, Y.J, Liu, L.M. | Deposit date: | 2021-06-08 | Release date: | 2021-10-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Local Electric Field Modulated Reactivity of Pseudomonas aeruginosa Acid Phosphatase for Enhancing Phosphorylation of l-Ascorbic Acid Acs Catalysis, 11, 2021
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2X8U
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![BU of 2x8u by Molmil](/molmil-images/mine/2x8u) | Sphingomonas wittichii Serine palmitoyltransferase | Descriptor: | PYRIDOXAL-5'-PHOSPHATE, SERINE PALMITOYLTRANSFERASE | Authors: | Raman, M.C.C, Johnson, K.A, Campopiano, D.J, Naismith, J.H. | Deposit date: | 2010-03-12 | Release date: | 2010-03-23 | Last modified: | 2015-11-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Serine Palmitoyltransferase from Sphingomonas Wittichii Rw1 an Interesting Link to an Unusual Acyl Carrier Protein Biopolymers, 93, 2010
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1PO1
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![BU of 1po1 by Molmil](/molmil-images/mine/1po1) | POLIOVIRUS (TYPE 1, MAHONEY) IN COMPLEX WITH R80633, AN INHIBITOR OF VIRAL REPLICATION | Descriptor: | (METHYLPYRIDAZINE PIPERIDINE BUTYLOXYPHENYL)ETHYLACETATE, MYRISTIC ACID, POLIOVIRUS TYPE 1 MAHONEY | Authors: | Hiremath, C.N, Filman, D.J, Grant, R.A, Hogle, J.M. | Deposit date: | 1997-01-08 | Release date: | 1997-12-03 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Ligand-induced conformational changes in poliovirus-antiviral drug complexes. Acta Crystallogr.,Sect.D, 53, 1997
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1PO2
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![BU of 1po2 by Molmil](/molmil-images/mine/1po2) | POLIOVIRUS (TYPE 1, MAHONEY) IN COMPLEX WITH R77975, AN INHIBITOR OF VIRAL REPLICATION | Descriptor: | (METHYLPYRIDAZINE PIPERIDINE ETHYLOXYPHENYL)ETHYLACETATE, MYRISTIC ACID, POLIOVIRUS TYPE 1 MAHONEY | Authors: | Hiremath, C.N, Filman, D.J, Grant, R.A, Hogle, J.M. | Deposit date: | 1997-01-08 | Release date: | 1997-12-03 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Ligand-induced conformational changes in poliovirus-antiviral drug complexes. Acta Crystallogr.,Sect.D, 53, 1997
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3ZQ3
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![BU of 3zq3 by Molmil](/molmil-images/mine/3zq3) | Crystal Structure of Rat Odorant Binding Protein 3 (OBP3) | Descriptor: | OBP3 PROTEIN | Authors: | Portman, K.L, Long, J, Carr, S, Brand, L, Winzor, D.J, Searle, M, Scott, D.J. | Deposit date: | 2013-03-05 | Release date: | 2014-03-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Enthalpy/Entropy Compensation Effects from Cavity Desolvation Underpin Broad Ligand Binding Selectivity for Rat Odorant Binding Protein 3 Biochemistry, 53, 2014
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5OD5
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![BU of 5od5 by Molmil](/molmil-images/mine/5od5) | Periplasmic binding protein CeuE complexed with a synthetic catalyst | Descriptor: | 2,5,8,11,14,17,20,23-OCTAOXAPENTACOSAN-25-OL, 4-(aminomethyl)-~{N}-(pyridin-2-ylmethyl)benzenesulfonamide, Azotochelin, ... | Authors: | Duhme-Klair, A.K, Raines, D.J, Clarke, J.E, Blagova, E.V, Dodson, E.J, Wilson, K.S. | Deposit date: | 2017-07-04 | Release date: | 2018-08-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Redox-switchable siderophore anchor enables reversible artificial metalloenzyme assembly Nat Catal, 2018
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4BMK
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![BU of 4bmk by Molmil](/molmil-images/mine/4bmk) | Serine Palmitoyltransferase K265A from S. paucimobilis with bound PLP- Myriocin Aldimine | Descriptor: | Decarboxylated Myriocin, GLYCEROL, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Wadsworth, J.M, Clarke, D.J, McMahon, S.A, Beattie, A.E, Lowther, J, Dunn, T.M, Naismith, J.H, Campopiano, D.J. | Deposit date: | 2013-05-09 | Release date: | 2013-09-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | The Chemical Basis of Serine Palmitoyltransferase Inhibition by Myriocin. J.Am.Chem.Soc., 135, 2013
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1MTQ
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![BU of 1mtq by Molmil](/molmil-images/mine/1mtq) | THREE-DIMENSIONAL SOLUTION STRUCTURE OF ALPHA-CONOTOXIN GID BY NMR SPECTROSCOPY | Descriptor: | alpha-conotoxin GID | Authors: | Nicke, A, Loughnan, M.L, Millard, E.L, Alewood, P.F, Adams, D.J, Daly, N.L, Craik, D.J, Lewis, R.J. | Deposit date: | 2002-09-22 | Release date: | 2003-02-11 | Last modified: | 2020-06-24 | Method: | SOLUTION NMR | Cite: | Isolation, Structure, and Activity of GID, a Novel alpha 4/7-Conotoxin with an Extended N-terminal Sequence J.BIOL.CHEM., 278, 2003
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1MXN
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![BU of 1mxn by Molmil](/molmil-images/mine/1mxn) | Solution structure of alpha-conotoxin AuIB | Descriptor: | alpha-conotoxin AuIB | Authors: | Dutton, J.L, Bansal, P.S, Hogg, R.C, Adams, D.J, Alewood, P.F, Craik, D.J. | Deposit date: | 2002-10-02 | Release date: | 2002-12-30 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | A New Level of Conotoxin Diversity, a Non-native Disulfide Bond Connectivity in alpha -Conotoxin AuIB Reduces Structural Definition but Increases Biological Activity. J.Biol.Chem., 277, 2002
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3DFR
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![BU of 3dfr by Molmil](/molmil-images/mine/3dfr) | CRYSTAL STRUCTURES OF ESCHERICHIA COLI AND LACTOBACILLUS CASEI DIHYDROFOLATE REDUCTASE REFINED AT 1.7 ANGSTROMS RESOLUTION. I. GENERAL FEATURES AND BINDING OF METHOTREXATE | Descriptor: | DIHYDROFOLATE REDUCTASE, METHOTREXATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Filman, D.J, Matthews, D.A, Bolin, J.T, Kraut, J. | Deposit date: | 1982-06-25 | Release date: | 1982-10-21 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structures of Escherichia coli and Lactobacillus casei dihydrofolate reductase refined at 1.7 A resolution. I. General features and binding of methotrexate. J.Biol.Chem., 257, 1982
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1MXP
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![BU of 1mxp by Molmil](/molmil-images/mine/1mxp) | Solution structure of the ribbon disulfide bond isomer of alpha-conotoxin AuIB | Descriptor: | alpha-conotoxin AuIB | Authors: | Dutton, J.L, Bansal, P.S, Hogg, R.C, Adams, D.J, Alewood, P.F, Craik, D.J. | Deposit date: | 2002-10-03 | Release date: | 2002-12-30 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | A New Level of Conotoxin Diversity, a Non-native Disulfide Bond Connectivity in alpha -Conotoxin AuIB Reduces Structural Definition but Increases Biological Activity. J.Biol.Chem., 277, 2002
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1VTP
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1TIH
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1PVC
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7SLS
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![BU of 7sls by Molmil](/molmil-images/mine/7sls) | HIV Reverse Transcriptase with compound Pyr02 | Descriptor: | 5-(difluoromethyl)-3-{[1-{[(3S)-5-fluoro-2-methyl-6-oxo-3,6-dihydropyridin-3-yl]methyl}-6-oxo-4-(1,1,2,2-tetrafluoroethyl)-1,6-dihydropyrimidin-5-yl]oxy}-2-methylbenzonitrile, Reverse transcriptase/ribonuclease H | Authors: | Klein, D.J, Zebisch, M, Gu, M. | Deposit date: | 2021-10-24 | Release date: | 2022-11-23 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.078 Å) | Cite: | Potent targeted activator of cell kill molecules eliminate cells expressing HIV-1. Sci Transl Med, 15, 2023
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5BXA
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![BU of 5bxa by Molmil](/molmil-images/mine/5bxa) | Structure of PslG from Pseudomonas aeruginosa in complex with mannose | Descriptor: | 1,2-ETHANEDIOL, CADMIUM ION, CHLORIDE ION, ... | Authors: | Baker, P, Little, D.J, Howell, P.L. | Deposit date: | 2015-06-08 | Release date: | 2015-10-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Characterization of the Pseudomonas aeruginosa Glycoside Hydrolase PslG Reveals That Its Levels Are Critical for Psl Polysaccharide Biosynthesis and Biofilm Formation. J.Biol.Chem., 290, 2015
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5BX9
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![BU of 5bx9 by Molmil](/molmil-images/mine/5bx9) | Structure of PslG from Pseudomonas aeruginosa | Descriptor: | 1,2-ETHANEDIOL, CADMIUM ION, CHLORIDE ION, ... | Authors: | Baker, P, Little, D.J, Howell, P.L. | Deposit date: | 2015-06-08 | Release date: | 2015-10-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Characterization of the Pseudomonas aeruginosa Glycoside Hydrolase PslG Reveals That Its Levels Are Critical for Psl Polysaccharide Biosynthesis and Biofilm Formation. J.Biol.Chem., 290, 2015
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5VQT
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![BU of 5vqt by Molmil](/molmil-images/mine/5vqt) | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 2-chloro-N-(6-cyano-3-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-4-methylnaphthalen-1-yl)-N-methylacetamide (JLJ686), a Non-nucleoside Inhibitor | Descriptor: | 2-chloro-N-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-N-methylacetamide, Reverse transcriptase/ribonuclease H, SULFATE ION, ... | Authors: | Chan, A.H, Czyzyk, D.J, Anderson, K.S. | Deposit date: | 2017-05-09 | Release date: | 2017-08-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.556 Å) | Cite: | Covalent inhibitors for eradication of drug-resistant HIV-1 reverse transcriptase: From design to protein crystallography. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5W5A
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![BU of 5w5a by Molmil](/molmil-images/mine/5w5a) | Crystal structure of Mycobacterium tuberculosis CRP-FNR family transcription factor Cmr (Rv1675c) | Descriptor: | CHLORIDE ION, HTH-type transcriptional regulator Cmr, SULFATE ION | Authors: | Cheung, J, Cassidy, M, Ginter, C, Ranganathan, S, Pata, D.J, McDonough, K.A. | Deposit date: | 2017-06-14 | Release date: | 2017-12-13 | Last modified: | 2019-01-09 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Novel structural features drive DNA binding properties of Cmr, a CRP family protein in TB complex mycobacteria. Nucleic Acids Res., 46, 2018
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5W5B
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![BU of 5w5b by Molmil](/molmil-images/mine/5w5b) | Crystal structure of Mycobacterium tuberculosis CRP-FNR family transcription factor Cmr (Rv1675c), truncated construct | Descriptor: | CHLORIDE ION, HTH-type transcriptional regulator Cmr | Authors: | Cheung, J, Cassidy, M, Ginter, C, Ranganathan, S, Pata, D.J, McDonough, K.A. | Deposit date: | 2017-06-14 | Release date: | 2017-12-13 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Novel structural features drive DNA binding properties of Cmr, a CRP family protein in TB complex mycobacteria. Nucleic Acids Res., 46, 2018
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5XNO
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![BU of 5xno by Molmil](/molmil-images/mine/5xno) | Structure of M-LHCII and CP24 complexes in the unstacked C2S2M2-type PSII-LHCII supercomplex from Pisum sativum | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | Authors: | Su, X.D, Ma, J, Wei, X.P, Cao, P, Zhu, D.J, Chang, W.R, Liu, Z.F, Zhang, X.Z, Li, M. | Deposit date: | 2017-05-23 | Release date: | 2017-09-20 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structure and assembly mechanism of plant C2S2M2-type PSII-LHCII supercomplex Science, 357, 2017
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