6NN9
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![BU of 6nn9 by Molmil](/molmil-images/mine/6nn9) | REFINED ATOMIC STRUCTURES OF N9 SUBTYPE INFLUENZA VIRUS NEURAMINIDASE AND ESCAPE MUTANTS | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NEURAMINIDASE N9, ... | Authors: | Tulip, W.R, Varghese, J.N, Baker, A.T, Vandonkelaar, A, Laver, W.G, Webster, R.G, Colman, P.M. | Deposit date: | 1991-03-28 | Release date: | 1992-07-15 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Refined atomic structures of N9 subtype influenza virus neuraminidase and escape mutants. J.Mol.Biol., 221, 1991
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4HWB
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6NNH
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![BU of 6nnh by Molmil](/molmil-images/mine/6nnh) | Structure of Closed state of Dihydrofolate reductase from Mycobacterium tuberculosis in complex with NADPH and cycloguanil | Descriptor: | 1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine, COBALT (II) ION, Dihydrofolate reductase, ... | Authors: | Giudice, J.H.P, Ribeiro, J.A, Dias, M.V.B. | Deposit date: | 2019-01-15 | Release date: | 2019-07-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.523 Å) | Cite: | Crystal structures of the closed form of Mycobacterium tuberculosis dihydrofolate reductase in complex with dihydrofolate and antifolates. Acta Crystallogr D Struct Biol, 75, 2019
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4L6C
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![BU of 4l6c by Molmil](/molmil-images/mine/4l6c) | Crystal structure of human mitochondrial deoxyribonucleotidase in complex with the inhibitor pib-t | Descriptor: | 1,2-ETHANEDIOL, 1-{2-deoxy-3,5-O-[(4-iodophenyl)(phosphono)methylidene]-beta-D-threo-pentofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione, 5'(3')-deoxyribonucleotidase, ... | Authors: | Pachl, P, Brynda, J, Rezacova, P. | Deposit date: | 2013-06-12 | Release date: | 2014-09-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Conformationally constrained nucleoside phosphonic acids - potent inhibitors of human mitochondrial and cytosolic 5'(3')-nucleotidases. Org.Biomol.Chem., 12, 2014
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7KC4
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![BU of 7kc4 by Molmil](/molmil-images/mine/7kc4) | Human WLS in complex with WNT8A | Descriptor: | 1-CIS-9-OCTADECANOYL-2-CIS-9-HEXADECANOYL PHOSPHATIDYL GLYCEROL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Nygaard, R, Jia, Y, Kim, J, Ross, D, Parisi, G, Clarke, O.B, Virshup, D.M, Mancia, F. | Deposit date: | 2020-10-05 | Release date: | 2021-01-06 | Last modified: | 2021-01-20 | Method: | ELECTRON MICROSCOPY (3.19 Å) | Cite: | Structural Basis of WLS/Evi-Mediated Wnt Transport and Secretion. Cell, 184, 2021
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7JLX
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![BU of 7jlx by Molmil](/molmil-images/mine/7jlx) | Structure of the activated Roq1 resistosome directly recognizing the pathogen effector XopQ (TIR domains) | Descriptor: | Disease resistance protein Roq1 | Authors: | Martin, R, Qi, T, Zhang, H, Lui, F, King, M, Toth, C, Nogales, E, Staskawicz, B.J. | Deposit date: | 2020-07-30 | Release date: | 2020-12-02 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (4.6 Å) | Cite: | Structure of the activated ROQ1 resistosome directly recognizing the pathogen effector XopQ. Science, 370, 2020
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6Z3Y
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3IU1
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![BU of 3iu1 by Molmil](/molmil-images/mine/3iu1) | Crystal Structure of human type-I N-myristoyltransferase with bound myristoyl-CoA | Descriptor: | Glycylpeptide N-tetradecanoyltransferase 1, TETRADECANOYL-COA | Authors: | Qiu, W, Hutchinson, A, Wernimont, A, Lin, Y.-H, Kania, A, Ravichandran, M, Kozieradzki, I, Cossar, D, Schapira, M, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Wyatt, P.G, Ferguson, M.A.J, Frearson, J.A, Brand, S.Y, Robinson, D.A, Bochkarev, A, Hui, R, Structural Genomics Consortium (SGC) | Deposit date: | 2009-08-29 | Release date: | 2009-09-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Crystal Structure of human type-I N-myristoyltransferase with bound myristoyl-CoA To be Published
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7JT3
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6NBD
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6YYI
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![BU of 6yyi by Molmil](/molmil-images/mine/6yyi) | Crystal structure of beta-D-xylosidase from Dictyoglomus thermophilum bound to beta-D-xylopyranose | Descriptor: | 1,2-ETHANEDIOL, Beta-xylosidase, CITRIC ACID, ... | Authors: | Lafite, P, Daniellou, R, Bretagne, D. | Deposit date: | 2020-05-05 | Release date: | 2020-12-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Crystal structure of Dictyoglomus thermophilum beta-d-xylosidase DtXyl unravels the structural determinants for efficient notoginsenoside R1 hydrolysis. Biochimie, 181, 2020
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6Z5S
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![BU of 6z5s by Molmil](/molmil-images/mine/6z5s) | RC-LH1(14)-W complex from Rhodopseudomonas palustris | Descriptor: | (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, (6~{R},10~{S},14~{R},19~{R},23~{S},24~{E},27~{S},28~{E})-2,6,10,14,19,23,27,31-octamethyldotriaconta-24,28-dien-2-ol, ... | Authors: | Swainsbury, D.J.K, Qian, P, Hitchcock, A, Hunter, C.N. | Deposit date: | 2020-05-27 | Release date: | 2021-01-13 | Last modified: | 2021-02-10 | Method: | ELECTRON MICROSCOPY (2.65 Å) | Cite: | Structures of Rhodopseudomonas palustris RC-LH1 complexes with open or closed quinone channels. Sci Adv, 7, 2021
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3IE3
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![BU of 3ie3 by Molmil](/molmil-images/mine/3ie3) | Structural basis for the binding of the anti-cancer compound 6-(7-Nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol (NBDHEX) to human glutathione S-transferases | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]hexan-1-ol, GLUTATHIONE, ... | Authors: | Federici, L, Lo Sterzo, C, Di Matteo, A, Scaloni, F, Federici, G, Caccuri, A.M. | Deposit date: | 2009-07-22 | Release date: | 2009-10-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for the binding of the anticancer compound 6-(7-nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol to human glutathione s-transferases Cancer Res., 69, 2009
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7BWZ
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7JPV
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![BU of 7jpv by Molmil](/molmil-images/mine/7jpv) | Rabbit Cav1.1 in the presence of 1 micromolar (S)-(-)-Bay K8644 in nanodiscs at 3.4 Angstrom resolution | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, CALCIUM ION, ... | Authors: | Yan, N, Gao, S. | Deposit date: | 2020-08-10 | Release date: | 2020-11-18 | Last modified: | 2021-03-10 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural Basis of the Modulation of the Voltage-Gated Calcium Ion Channel Ca v 1.1 by Dihydropyridine Compounds*. Angew.Chem.Int.Ed.Engl., 60, 2021
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7KBT
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![BU of 7kbt by Molmil](/molmil-images/mine/7kbt) | Factor VIII in complex with the anti-C2 domain antibody, G99 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Ronayne, E.K, Gish, J, Wilson, C, Peters, S, Spencer, H.T, Spiegel, P.C, Childers, K.C. | Deposit date: | 2020-10-02 | Release date: | 2020-11-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (4.15 Å) | Cite: | Structure of Blood Coagulation Factor VIII in Complex With an Anti-C2 Domain Non-Classical, Pathogenic Antibody Inhibitor Front Immunol, 12, 2021
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7A6C
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7KCR
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![BU of 7kcr by Molmil](/molmil-images/mine/7kcr) | Cryo-EM structure of Zika virus in complex with E protein cross-linking human monoclonal antibody ADI30056 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADI30056 Fab heavy chain variable region, ADI30056 Fab light chain variable region, ... | Authors: | Sevvana, M, Rogers, T.F, Miller, A.S, Long, F, Klose, T, Beutler, N, Lai, Y.C, Parren, M, Walker, L.M, Buda, G, Burton, D.R, Rossmann, M.G, Kuhn, R.J. | Deposit date: | 2020-10-07 | Release date: | 2020-12-16 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structural Basis of Zika Virus Specific Neutralization in Subsequent Flavivirus Infections. Viruses, 12, 2020
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7A6H
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![BU of 7a6h by Molmil](/molmil-images/mine/7a6h) | Cryo-EM structure of human apo RNA Polymerase III | Descriptor: | DNA-directed RNA polymerase III subunit RPC1, DNA-directed RNA polymerase III subunit RPC10, DNA-directed RNA polymerase III subunit RPC2, ... | Authors: | Girbig, M, Misiaszek, A.D, Vorlaender, M.K, Mueller, C.W. | Deposit date: | 2020-08-25 | Release date: | 2021-02-03 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Cryo-EM structures of human RNA polymerase III in its unbound and transcribing states. Nat.Struct.Mol.Biol., 28, 2021
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6NGJ
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![BU of 6ngj by Molmil](/molmil-images/mine/6ngj) | Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(3-fluoro-5-(3-(methylamino)prop-1-yn-1-yl)phenethyl)-4-methylpyridin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{3-fluoro-5-[3-(methylamino)prop-1-yn-1-yl]phenyl}ethyl)-4-methylpyridin-2-amine, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2018-12-21 | Release date: | 2019-03-13 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.756 Å) | Cite: | Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold. J. Med. Chem., 62, 2019
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3IHE
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6NGW
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![BU of 6ngw by Molmil](/molmil-images/mine/6ngw) | Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(5-(3-(dimethylamino)propyl)-2,3,4-trifluorophenethyl)-4-methylpyridin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{5-[3-(dimethylamino)propyl]-2,3,4-trifluorophenyl}ethyl)-4-methylpyridin-2-amine, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2018-12-21 | Release date: | 2019-03-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.858 Å) | Cite: | Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold. J. Med. Chem., 62, 2019
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3IAH
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![BU of 3iah by Molmil](/molmil-images/mine/3iah) | Crystal Structure of Short Chain Dehydrogenase (yciK) from Salmonella enterica subsp. enterica serovar Typhimurium str. LT2 in Complex with NADP and Acetate. | Descriptor: | ACETATE ION, CHLORIDE ION, ETHANOL, ... | Authors: | Minasov, G, Halavaty, A, Skarina, T, Onopriyenko, O, Peterson, S.N, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2009-07-14 | Release date: | 2009-07-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Crystal Structure of Short Chain Dehydrogenase (yciK) from Salmonella enterica subsp. enterica serovar Typhimurium str. LT2 in Complex with NADP and Acetate. TO BE PUBLISHED
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6NH8
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![BU of 6nh8 by Molmil](/molmil-images/mine/6nh8) | Structure of human endothelial nitric oxide synthase heme domain in complex with 6-(5-(3-(dimethylamino)propyl)-2,3,4-trifluorophenethyl)-4-methylpyridin-2-amine | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{5-[3-(dimethylamino)propyl]-2,3,4-trifluorophenyl}ethyl)-4-methylpyridin-2-amine, ... | Authors: | Chreifi, G, Li, H, Poulos, T.L. | Deposit date: | 2018-12-21 | Release date: | 2019-03-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold. J. Med. Chem., 62, 2019
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3IAQ
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![BU of 3iaq by Molmil](/molmil-images/mine/3iaq) | E. coli (lacz) beta-galactosidase (E416V) | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-galactosidase, DIMETHYL SULFOXIDE, ... | Authors: | Lo, S, Dugdale, M.L, Jeerh, N, Ku, T, Roth, N.J, Huber, R.E. | Deposit date: | 2009-07-14 | Release date: | 2009-12-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Studies of Glu-416 variants of beta-galactosidase (E. coli) show that the active site Mg(2+) is not important for structure and indicate that the main role of Mg (2+) is to mediate optimization of active site chemistry Protein J., 29, 2010
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