7QHE
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![BU of 7qhe by Molmil](/molmil-images/mine/7qhe) | Human Butyrylcholinesterase in complex with (S)-1-(4-((naphthalen-1-yl)carbamoyl)benzyl)-N-(3-((1,2,3,4-tetrahydroacridin-9-yl)amino)propyl)piperidine-3-carboxamide | Descriptor: | (3~{S})-1-[[4-(naphthalen-1-ylcarbamoyl)phenyl]methyl]-~{N}-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperidine-3-carboxamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Brazzolotto, X, Jing, L, Zhan, P, Liu, X, Nachon, F. | Deposit date: | 2021-12-12 | Release date: | 2022-12-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Rapid discovery and crystallography study of highly potent and selective butylcholinesterase inhibitors based on oxime-containing libraries and conformational restriction strategies. Bioorg.Chem., 134, 2023
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2NOD
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![BU of 2nod by Molmil](/molmil-images/mine/2nod) | MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER (DELTA 65) WITH TETRAHYDROBIOPTERIN AND WATER BOUND IN ACTIVE CENTER | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, NITRIC OXIDE SYNTHASE, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Crane, B.R, Arvai, A.S, Getzoff, E.D, Stuehr, D.J, Tainer, J.A. | Deposit date: | 1998-03-05 | Release date: | 1999-03-23 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of nitric oxide synthase oxygenase dimer with pterin and substrate. Science, 279, 1998
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2I42
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7U05
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![BU of 7u05 by Molmil](/molmil-images/mine/7u05) | |
2Y9R
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8Q3V
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![BU of 8q3v by Molmil](/molmil-images/mine/8q3v) | Cryo-EM structure of the methanogenic Na+ translocating N5-methyl-H4MPT:CoM methyltransferase complex | Descriptor: | MAGNESIUM ION, SODIUM ION, Tetrahydromethanopterin S-methyltransferase subunit A 1, ... | Authors: | Aziz, I, Vonck, J, Ermler, U. | Deposit date: | 2023-08-04 | Release date: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (2.08 Å) | Cite: | Structural and mechanistic basis of the central energy-converting methyltransferase complex of methanogenesis. Proc.Natl.Acad.Sci.USA, 121, 2024
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5MBZ
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![BU of 5mbz by Molmil](/molmil-images/mine/5mbz) | Crystal Structure of Ser202Phe mutant of Human Prolidase with Mn ions and GlyPro ligand | Descriptor: | CHLORIDE ION, GLYCEROL, GLYCINE, ... | Authors: | Wilk, P, Mueller, U, Dobbek, H, Weiss, M.S. | Deposit date: | 2016-11-09 | Release date: | 2017-12-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural basis for prolidase deficiency disease mechanisms. FEBS J., 285, 2018
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2I47
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![BU of 2i47 by Molmil](/molmil-images/mine/2i47) | Crystal structure of catalytic domain of TACE with inhibitor | Descriptor: | 4-({[4-(BUT-2-YN-1-YLOXY)PHENYL]SULFONYL}METHYL)-1-[(3,5-DIMETHYLISOXAZOL-4-YL)SULFONYL]-N-HYDROXYPIPERIDINE-4-CARBOXAMIDE, ADAM 17, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, ... | Authors: | Xu, W, Condon, J.S, Lovering, F.E. | Deposit date: | 2006-08-21 | Release date: | 2006-12-05 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Identification of potent and selective TACE inhibitors via the S1 pocket. Bioorg.Med.Chem.Lett., 17, 2007
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7LD5
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![BU of 7ld5 by Molmil](/molmil-images/mine/7ld5) | polynucleotide phosphorylase | Descriptor: | MAGNESIUM ION, Polyribonucleotide nucleotidyltransferase, poly-A RNA fragment | Authors: | Goldgur, Y, Shuman, S, De La Cruz, M.J, Ghosh, S, Unciuleac, M.-C. | Deposit date: | 2021-01-12 | Release date: | 2021-06-30 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.07 Å) | Cite: | Structure and mechanism of Mycobacterium smegmatis polynucleotide phosphorylase. Rna, 27, 2021
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6ZOW
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![BU of 6zow by Molmil](/molmil-images/mine/6zow) | SARS-CoV-2 spike in prefusion state | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | Authors: | Martinez, M, Marabini, R, Carazo, J.M. | Deposit date: | 2020-07-07 | Release date: | 2020-07-29 | Last modified: | 2022-12-21 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Continuous flexibility analysis of SARS-CoV-2 spike prefusion structures. Iucrj, 7, 2020
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7QHD
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![BU of 7qhd by Molmil](/molmil-images/mine/7qhd) | Human Butyrylcholinesterase in complex with (S)-1-(4-((2-(1H-indol-3-yl)ethyl)carbamoyl)benzyl)-N-(3-((1,2,3,4-tetrahydroacridin-9-yl)amino)propyl)piperidine-3-carboxamide | Descriptor: | (3~{S})-1-[[4-[2-(1~{H}-indol-3-yl)ethylcarbamoyl]phenyl]methyl]-~{N}-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperidine-3-carboxamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Brazzolotto, X, Jing, L, Zhan, P, Liu, X, Nachon, F. | Deposit date: | 2021-12-12 | Release date: | 2022-12-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Rapid discovery and crystallography study of highly potent and selective butylcholinesterase inhibitors based on oxime-containing libraries and conformational restriction strategies. Bioorg.Chem., 134, 2023
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7QHK
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![BU of 7qhk by Molmil](/molmil-images/mine/7qhk) | Peptide QLRQQE in complex with human cathepsin V C25A mutant | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Cathepsin L2, ... | Authors: | Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D. | Deposit date: | 2021-12-13 | Release date: | 2022-12-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Proteomic data and structure analysis combined reveal interplay of structural rigidity and flexibility on selectivity of cysteine cathepsins. Commun Biol, 6, 2023
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2N5X
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7A98
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![BU of 7a98 by Molmil](/molmil-images/mine/7a98) | SARS-CoV-2 Spike Glycoprotein with 3 ACE2 Bound | Descriptor: | Angiotensin-converting enzyme 2, Spike glycoprotein | Authors: | Benton, D.J, Wrobel, A.G, Rosenthal, P.B, Gamblin, S.J. | Deposit date: | 2020-09-01 | Release date: | 2020-09-23 | Last modified: | 2020-12-16 | Method: | ELECTRON MICROSCOPY (5.4 Å) | Cite: | Receptor binding and priming of the spike protein of SARS-CoV-2 for membrane fusion. Nature, 588, 2020
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3JPT
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![BU of 3jpt by Molmil](/molmil-images/mine/3jpt) | Ternary complex of DNA polymerase beta with a dideoxy terminated primer and 2'-deoxyguanosine 5'-beta, gamma-fluoro chloro methylene triphosphate | Descriptor: | 5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(DOC))-3', 5'-D(P*GP*TP*CP*GP*G)-3', ... | Authors: | Batra, V.K, Upton, J, Kashmerov, B, Beard, W.A, Wilson, S.H, Goodman, M.F, McKenna, C.E. | Deposit date: | 2009-09-04 | Release date: | 2010-06-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Halogenated beta,gamma-Methylene- and Ethylidene-dGTP-DNA Ternary Complexes with DNA Polymerase beta: Structural Evidence for Stereospecific Binding of the Fluoromethylene Analogues. J.Am.Chem.Soc., 132, 2010
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2I5L
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7QNM
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![BU of 7qnm by Molmil](/molmil-images/mine/7qnm) | Crystallization and structural analyses of ZgHAD, a L-2-haloacid dehalogenase from the marine Flavobacterium Zobellia galactanivorans | Descriptor: | (S)-2-haloacid dehalogenase, PHOSPHATE ION | Authors: | Grigorian, E, Roret, T, Leblanc, C, Delage, L, Czjzek, M. | Deposit date: | 2021-12-21 | Release date: | 2022-12-21 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | X-ray structure and mechanism of ZgHAD, a l-2-haloacid dehalogenase from the marine Flavobacterium Zobellia galactanivorans. Protein Sci., 32, 2023
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2YCF
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![BU of 2ycf by Molmil](/molmil-images/mine/2ycf) | Crystal Structure of Checkpoint Kinase 2 in complex with Inhibitor PV1531 | Descriptor: | (2E)-N-hydroxy-2-[1-(4-{[(4-{(1E)-1-[2-(N'-hydroxycarbamimidoyl)hydrazinylidene]ethyl}phenyl)carbamoyl]amino}phenyl)ethylidene]hydrazinecarboximidamide, MAGNESIUM ION, NITRATE ION, ... | Authors: | Lountos, G.T, Jobson, A.G, Tropea, J.E, Self, C.R, Pommier, Y, Shoemaker, R.H, Zhang, G, Waugh, D.S. | Deposit date: | 2011-03-14 | Release date: | 2011-11-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Structural Characterization of Inhibitor Complexes with Checkpoint Kinase 2 (Chk2), a Drug Target for Cancer Therapy. J.Struct.Biol., 176, 2011
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2NQ5
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![BU of 2nq5 by Molmil](/molmil-images/mine/2nq5) | Crystal structure of methyltransferase from Streptococcus mutans | Descriptor: | 5-methyltetrahydropteroyltriglutamate--homocysteine methyltransferase | Authors: | Fedorov, A.A, Fedorov, E.V, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2006-10-30 | Release date: | 2006-11-14 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of methyltransferase from Streptococcus mutans To be Published
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6ZQ5
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![BU of 6zq5 by Molmil](/molmil-images/mine/6zq5) | Crystal structure of Chaetomium thermophilum Glycerol Kinase in P2221 space group | Descriptor: | 1,2-ETHANEDIOL, Glycerol kinase-like protein | Authors: | Wilk, P, Wator, E, Malecki, P, Grudnik, P. | Deposit date: | 2020-07-09 | Release date: | 2020-12-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Structural Characterization of Glycerol Kinase from the Thermophilic Fungus Chaetomium thermophilum . Int J Mol Sci, 21, 2020
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7QJL
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![BU of 7qjl by Molmil](/molmil-images/mine/7qjl) | Crystal structure of CYP142 from Mycobacterium tuberculosis in complex with an inhibitor | Descriptor: | ACETATE ION, BROMIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Snee, M, Levy, C, Katariya, M. | Deposit date: | 2021-12-16 | Release date: | 2022-12-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis. Chemistry, 29, 2023
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5MPH
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![BU of 5mph by Molmil](/molmil-images/mine/5mph) | Structural Basis of Gene Regulation by the Grainyhead Transcription Factor Superfamily | Descriptor: | Grainyhead-like protein 1 homolog, IODIDE ION | Authors: | Ming, Q, Roske, Y, Schuetz, A, Walentin, K, Ibraimi, I, Schmidt-Ott, K.M, Heinemann, U. | Deposit date: | 2016-12-16 | Release date: | 2018-01-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.337 Å) | Cite: | Structural basis of gene regulation by the Grainyhead/CP2 transcription factor family. Nucleic Acids Res., 46, 2018
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2YBS
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2IAE
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![BU of 2iae by Molmil](/molmil-images/mine/2iae) | Crystal structure of a protein phosphatase 2A (PP2A) holoenzyme. | Descriptor: | MANGANESE (II) ION, Serine/threonine-protein phosphatase 2A 56 kDa regulatory subunit gamma isoform, Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoform, ... | Authors: | Cho, U.S, Xu, W. | Deposit date: | 2006-09-07 | Release date: | 2006-12-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Crystal structure of a protein phosphatase 2A heterotrimeric holoenzyme. Nature, 445, 2007
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7TVF
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