1OP0
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![BU of 1op0 by Molmil](/molmil-images/mine/1op0) | Crystal Structure of AaV-SP-I, a Glycosylated Snake Venom Serine Proteinase from Agkistrodon acutus | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Venom serine proteinase | Authors: | Zhu, Z, Teng, M, Niu, L. | Deposit date: | 2003-03-04 | Release date: | 2004-05-25 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structures and Amidolytic Activities of Two Glycosylated Snake Venom Serine Proteinases J.BIOL.CHEM., 280, 2005
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6IMM
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![BU of 6imm by Molmil](/molmil-images/mine/6imm) | Cryo-EM structure of an alphavirus, Sindbis virus | Descriptor: | Assembly protein E3, Octadecane, Spike glycoprotein E1, ... | Authors: | Zhang, X, Ma, J, Chen, L. | Deposit date: | 2018-10-23 | Release date: | 2019-03-13 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Implication for alphavirus host-cell entry and assembly indicated by a 3.5 angstrom resolution cryo-EM structure. Nat Commun, 9, 2018
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4EFS
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![BU of 4efs by Molmil](/molmil-images/mine/4efs) | Human MMP12 in complex with L-glutamate motif inhibitor | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ... | Authors: | Stura, E.A, Dive, V, Devel, L, Czarny, B, Beau, F, Vera, L. | Deposit date: | 2012-03-30 | Release date: | 2012-06-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Simple pseudo-dipeptides with a P2' glutamate: a novel inhibitor family of matrix metalloproteases and other metzincins. J.Biol.Chem., 287, 2012
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7AWS
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![BU of 7aws by Molmil](/molmil-images/mine/7aws) | Structure of SARS-CoV-2 Main Protease bound to TH-302. | Descriptor: | 3C-like proteinase, 5-[[(2-bromoethylamino)-(ethylamino)phosphoryl]oxymethyl]-1-methyl-~{N},~{N}-bis(oxidanyl)imidazol-2-amine, CHLORIDE ION, ... | Authors: | Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | Deposit date: | 2020-11-09 | Release date: | 2020-12-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
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7AXM
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![BU of 7axm by Molmil](/molmil-images/mine/7axm) | Structure of SARS-CoV-2 Main Protease bound to Pelitinib | Descriptor: | (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxyquinolin-6-yl}-4-(dimethylamino)but-2-enamide, 3C-like proteinase, DIMETHYL SULFOXIDE, ... | Authors: | Guenther, S, Reinke, P.Y.A, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Lane, T.J, Dunkel, I, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | Deposit date: | 2020-11-09 | Release date: | 2020-12-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
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1P3T
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![BU of 1p3t by Molmil](/molmil-images/mine/1p3t) | Crystal Structures of the NO-and CO-Bound Heme Oxygenase From Neisseria Meningitidis: Implications for Oxygen Activation | Descriptor: | Heme oxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Friedman, J, Lad, L, Deshmukh, R, Li, H, Wilks, A, Poulos, T.L. | Deposit date: | 2003-04-18 | Release date: | 2003-12-09 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structures of the NO- and CO-bound heme oxygenase from Neisseriae meningitidis. Implications for O2 activation J.Biol.Chem., 278, 2003
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1P3V
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![BU of 1p3v by Molmil](/molmil-images/mine/1p3v) | Crystal Structures of the NO-and CO-Bound Heme Oxygenase From Neisseria Meningitidis: Implications for Oxygen Activation | Descriptor: | CARBON MONOXIDE, Heme oxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Friedman, J, Lad, L, Deshmukh, R, Li, H, Wilks, A, Poulos, T.L. | Deposit date: | 2003-04-18 | Release date: | 2003-12-09 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal structures of the NO- and CO-bound heme oxygenase from Neisseriae meningitidis. Implications for O2 activation J.Biol.Chem., 278, 2003
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6APJ
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![BU of 6apj by Molmil](/molmil-images/mine/6apj) | Crystal Structure of human ST6GALNAC2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-N-acetylgalactosaminide alpha-2,6-sialyltransferase 2 | Authors: | Forouhar, F, Moremen, K.W, Northeast Structural Genomics Consortium (NESG), Tong, L. | Deposit date: | 2017-08-17 | Release date: | 2017-12-20 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Expression system for structural and functional studies of human glycosylation enzymes. Nat. Chem. Biol., 14, 2018
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5SBI
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4CTH
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![BU of 4cth by Molmil](/molmil-images/mine/4cth) | Neprilysin variant G399V,G714K in complex with phosphoramidon | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, N-ALPHA-L-RHAMNOPYRANOSYLOXY(HYDROXYPHOSPHINYL)-L-LEUCYL-L-TRYPTOPHAN, ... | Authors: | Webster, C.I, Burrell, M, Olsson, L, Fowler, S.B, Digby, S, Sandercock, A, Snijder, A, Tebbe, J, Haupts, U, Grudzinska, J, Jermutus, L, Andersson, C. | Deposit date: | 2014-03-13 | Release date: | 2014-08-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Engineering Neprilysin Activity and Specificity to Create a Novel Therapeutic for Alzheimer'S Disease. Plos One, 9, 2014
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7ZHS
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![BU of 7zhs by Molmil](/molmil-images/mine/7zhs) | 3D reconstruction of the cylindrical assembly of DnaJA2 delta G/F by imposing D5 symmetry | Descriptor: | Ubiquitin-like protein SMT3,DnaJ homolog subfamily A member 2, ZINC ION | Authors: | Cuellar, J, Velasco-Carneros, L, Santiago, C, Martin-Benito, J, Valpuesta, J, Muga, A. | Deposit date: | 2022-04-07 | Release date: | 2023-07-26 | Last modified: | 2024-01-24 | Method: | ELECTRON MICROSCOPY (6.9 Å) | Cite: | The self-association equilibrium of DNAJA2 regulates its interaction with unfolded substrate proteins and with Hsc70. Nat Commun, 14, 2023
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4D4L
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![BU of 4d4l by Molmil](/molmil-images/mine/4d4l) | human PFKFB3 in complex with a pyrrolopyrimidone compound | Descriptor: | 5-(4-chlorophenyl)-7-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one, 6-O-phosphono-beta-D-fructofuranose, 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, ... | Authors: | Stgallay, S.A, Bennett, N, Critchlow, S, Davies, G, Debreczeni, J.E, Evans, N, Holdgate, G, Jones, N.P, Leach, L, Maman, S, McLoughlin, S, Preston, M, Rigoreau, L, Thomas, A, Walker, G, Walsch, J, Ward, R.A, Wheatley, E, Winter, J. | Deposit date: | 2014-10-29 | Release date: | 2016-01-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.16 Å) | Cite: | Identifying a Novel Series of Pfkfb3 Inhibitors as a Metabolic Approach to Treating Cancer from Hts, Biophysical and Biochemical Methods To be Published
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8A5T
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![BU of 8a5t by Molmil](/molmil-images/mine/8a5t) | |
1OP2
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![BU of 1op2 by Molmil](/molmil-images/mine/1op2) | Crystal Structure of AaV-SP-II, a Glycosylated Snake Venom Serine Proteinase from Agkistrodon acutus | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Venom serine proteinase | Authors: | Zhu, Z, Teng, M, Niu, L. | Deposit date: | 2003-03-04 | Release date: | 2004-05-25 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structures and Amidolytic Activities of Two Glycosylated Snake Venom Serine Proteinases J.BIOL.CHEM., 280, 2005
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3R21
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![BU of 3r21 by Molmil](/molmil-images/mine/3r21) | Design, synthesis, and biological evaluation of pyrazolopyridine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (Part I) | Descriptor: | MAGNESIUM ION, N-(2-aminoethyl)-N-{5-[(1-cycloheptyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]pyridin-2-yl}methanesulfonamide, Serine/threonine-protein kinase 6 | Authors: | Zhang, L, Fan, J, Chong, J.-H, Cesena, A, Tam, B, Gilson, C, Boykin, C, Wang, D, Marcotte, D, Le Brazidec, J.-Y, Aivazian, D, Piao, J, Lundgren, K, Hong, K, Vu, K, Nguyen, K. | Deposit date: | 2011-03-11 | Release date: | 2011-08-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Design, synthesis, and biological evaluation of pyrazolopyrimidine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (part I). Bioorg.Med.Chem.Lett., 21, 2011
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8AAA
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![BU of 8aaa by Molmil](/molmil-images/mine/8aaa) | Crystal structure of SARS-CoV-2 S RBD in complex with a stapled peptide | Descriptor: | 1,1',1''-(1,3,5-triazinane-1,3,5-triyl)tripropan-1-one, Spike protein S1, Stapled peptide | Authors: | Brear, P, Chen, L, Gaynor, K, Harman, M, Dods, R, Hyvonen, M. | Deposit date: | 2022-06-30 | Release date: | 2023-06-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Multivalent bicyclic peptides are an effective antiviral modality that can potently inhibit SARS-CoV-2. Nat Commun, 14, 2023
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4D2W
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![BU of 4d2w by Molmil](/molmil-images/mine/4d2w) | Structure of MELK in complex with inhibitors | Descriptor: | 4-bromo-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE | Authors: | Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M. | Deposit date: | 2014-05-13 | Release date: | 2014-10-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Fragment-Based Discovery of Type I Inhibitors of Maternal Embryonic Leucine Zipper Kinase Acs Med.Chem.Lett., 6, 2015
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1JBU
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![BU of 1jbu by Molmil](/molmil-images/mine/1jbu) | Coagulation Factor VII Zymogen (EGF2/Protease) in Complex with Inhibitory Exosite Peptide A-183 | Descriptor: | BENZAMIDINE, COAGULATION FACTOR VII, Peptide exosite inhibitor A-183, ... | Authors: | Eigenbrot, C, Kirchhofer, D, Dennis, M.S, Santell, L, Lazarus, R.A, Stamos, J, Ultsch, M.H. | Deposit date: | 2001-06-06 | Release date: | 2001-07-11 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The factor VII zymogen structure reveals reregistration of beta strands during activation. Structure, 9, 2001
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1K0A
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![BU of 1k0a by Molmil](/molmil-images/mine/1k0a) | Ure2p in Complex with S-hexylglutathione | Descriptor: | GLUTATHIONE, S-HEXYLGLUTATHIONE, URE2 PROTEIN | Authors: | Bousset, L, Belrhali, H, Melki, R, Morera, S. | Deposit date: | 2001-09-19 | Release date: | 2001-12-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structures of the yeast prion Ure2p functional region in complex with glutathione and related compounds. Biochemistry, 40, 2001
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1K55
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![BU of 1k55 by Molmil](/molmil-images/mine/1k55) | OXA 10 class D beta-lactamase at pH 7.5 | Descriptor: | 1,2-ETHANEDIOL, Beta lactamase OXA-10, SULFATE ION | Authors: | Golemi, D, Maveyraud, L, Vakulenko, S, Samama, J.P, Mobashery, S. | Deposit date: | 2001-10-10 | Release date: | 2001-11-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Critical involvement of a carbamylated lysine in catalytic function of class D beta-lactamases. Proc.Natl.Acad.Sci.USA, 98, 2001
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6BGJ
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![BU of 6bgj by Molmil](/molmil-images/mine/6bgj) | Cryo-EM structure of the TMEM16A calcium-activated chloride channel in LMNG | Descriptor: | Anoctamin-1, CALCIUM ION | Authors: | Dang, S, Feng, S, Tien, J, Peters, C.J, Bulkley, D, Lolicato, M, Zhao, J, Zuberbuhler, K, Ye, W, Qi, L, Chen, T, Craik, C.S, Jan, Y.N, Minor Jr, D.L, Cheng, Y, Jan, L.Y. | Deposit date: | 2017-10-28 | Release date: | 2017-12-27 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Cryo-EM structures of the TMEM16A calcium-activated chloride channel. Nature, 552, 2017
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1K57
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![BU of 1k57 by Molmil](/molmil-images/mine/1k57) | OXA 10 class D beta-lactamase at pH 6.0 | Descriptor: | BETA LACTAMASE OXA-10, SULFATE ION | Authors: | Golemi, D, Maveyraud, L, Vakulenko, S, Samama, J.P, Mobashery, S. | Deposit date: | 2001-10-10 | Release date: | 2001-11-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Critical involvement of a carbamylated lysine in catalytic function of class D beta-lactamases. Proc.Natl.Acad.Sci.USA, 98, 2001
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1K6A
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![BU of 1k6a by Molmil](/molmil-images/mine/1k6a) | Structural studies on the mobility in the active site of the Thermoascus aurantiacus xylanase I | Descriptor: | xylanase I | Authors: | Lo Leggio, L, Kalogiannis, S, Eckert, K, Teixeira, S.C.M, Bhat, M.K, Andrei, C, Pickersgill, R.W, Larsen, S. | Deposit date: | 2001-10-15 | Release date: | 2002-07-03 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | Substrate specificity and subsite mobility in T. aurantiacus xylanase 10A. FEBS LETT., 509, 2001
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1K56
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![BU of 1k56 by Molmil](/molmil-images/mine/1k56) | OXA 10 class D beta-lactamase at pH 6.5 | Descriptor: | OXA10 beta-lactamase, SULFATE ION | Authors: | Golemi, D, Maveyraud, L, Vakulenko, S, Samama, J.P, Mobashery, S. | Deposit date: | 2001-10-10 | Release date: | 2001-11-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Critical involvement of a carbamylated lysine in catalytic function of class D beta-lactamases. Proc.Natl.Acad.Sci.USA, 98, 2001
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8AF9
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![BU of 8af9 by Molmil](/molmil-images/mine/8af9) | |