3VE0
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![BU of 3ve0 by Molmil](/molmil-images/mine/3ve0) | Crystal structure of Sudan Ebolavirus Glycoprotein (strain Boniface) bound to 16F6 | Descriptor: | 16F6 Antibody chain A, 16F6 Antibody chain B, Envelope glycoprotein, ... | Authors: | Saphire, E.O, Bale, S, Dias, J.M. | Deposit date: | 2012-01-06 | Release date: | 2012-04-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.353 Å) | Cite: | Structural basis for differential neutralization of ebolaviruses. Viruses, 4, 2012
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3S88
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![BU of 3s88 by Molmil](/molmil-images/mine/3s88) | Crystal structure of Sudan Ebolavirus Glycoprotein (strain Gulu) bound to 16F6 | Descriptor: | 16F6 - Heavy chain, 16F6 - Light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Saphire, E.O, Dias, J.M, Bale, S. | Deposit date: | 2011-05-27 | Release date: | 2011-12-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.351 Å) | Cite: | A shared structural solution for neutralizing ebolaviruses. Nat.Struct.Mol.Biol., 18, 2011
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3NSH
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![BU of 3nsh by Molmil](/molmil-images/mine/3nsh) | BACE-1 in complex with ELN475957 | Descriptor: | Beta-secretase 1, N-[(1S,2R)-1-(3,5-difluorobenzyl)-3-({1-[4-(2,2-dimethylpropyl)thiophen-2-yl]cyclopropyl}amino)-2-hydroxypropyl]acetamide | Authors: | Probst, G.D, Bowers, S, Sealy, J.M, Brecht, E, Yao, N. | Deposit date: | 2010-07-01 | Release date: | 2010-09-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Design and synthesis of hydroxyethylamine (HEA) BACE-1 inhibitors: structure-activity relationship of the aryl region. Bioorg.Med.Chem.Lett., 20, 2010
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3RTP
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![BU of 3rtp by Molmil](/molmil-images/mine/3rtp) | Design and synthesis of brain penetrant selective JNK inhibitors with improved pharmacokinetic properties for the prevention of neurodegeneration | Descriptor: | Mitogen-activated protein kinase 10, N-[4-cyano-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1(2H)-yl)acetamide | Authors: | Bowers, S, Truong, A.P, Neitz, R.J, Hom, R.K, Sealy, J.M, Probst, G.D, Quincy, Q, Peterson, B, Chan, W, Galemmo Jr, R.A, Konradi, A.W, Sham, H.L, Pan, H, Lin, M, Yao, N, Artis, D.R, Zhang, H, Chen, L, Dryer, M, Samant, B, Zmolek, W, Wong, K, Lorentzen, C, Goldbach, E, Tonn, G, Quinn, K.P, Sauer, J, Wright, S, Powell, K, Ruslim, L, Ren, Z, Bard, F, Yednock, T.A, Griswold-Prenne, I. | Deposit date: | 2011-05-03 | Release date: | 2013-05-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Design and synthesis of brain penetrant selective JNK inhibitors with improved pharmacokinetic properties for the prevention of neurodegeneration. Bioorg.Med.Chem.Lett., 21, 2011
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3ZIV
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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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3OY1
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![BU of 3oy1 by Molmil](/molmil-images/mine/3oy1) | Highly Selective c-Jun N-Terminal Kinase (JNK) 2 and 3 Inhibitors with In Vitro CNS-like Pharmacokinetic Properties | Descriptor: | 5-[2-(cyclohexylamino)pyridin-4-yl]-4-naphthalen-2-yl-2-(tetrahydro-2H-pyran-4-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one, Mitogen-activated protein kinase 10 | Authors: | Probst, G.D, Bowers, S, Sealy, J.M, Truong, A, Neitz, J, Hom, R.K, Galemmo Jr, R.A, Konradi, A.W, Sham, H.L, Quincy, D, Pan, H, Yao, N. | Deposit date: | 2010-09-22 | Release date: | 2011-08-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Highly selective c-Jun N-terminal kinase (JNK) 2 and 3 inhibitors with in vitro CNS-like pharmacokinetic properties prevent neurodegeneration. Bioorg.Med.Chem.Lett., 21, 2011
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1CTP
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![BU of 1ctp by Molmil](/molmil-images/mine/1ctp) | STRUCTURE OF THE MAMMALIAN CATALYTIC SUBUNIT OF CAMP-DEPENDENT PROTEIN KINASE AND AN INHIBITOR PEPTIDE DISPLAYS AN OPEN CONFORMATION | Descriptor: | MYRISTIC ACID, cAMP-DEPENDENT PROTEIN KINASE, cAMP-dependent protein kinase inhibitor, ... | Authors: | Karlsson, R, Zheng, J, Xuong, N.H, Taylor, S.S, Sowadski, J.M. | Deposit date: | 1993-04-08 | Release date: | 1994-01-31 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure of the mammalian catalytic subunit of cAMP-dependent protein kinase and an inhibitor peptide displays an open conformation. Acta Crystallogr.,Sect.D, 49, 1993
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3QBH
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![BU of 3qbh by Molmil](/molmil-images/mine/3qbh) | Structure based design, synthesis and SAR of cyclic hydroxyethylamine (HEA) BACE-1 inhibitors | Descriptor: | (4S)-4-(2-hydroxy-5-{[(3S,4S,5R)-4-hydroxy-1,1-dioxido-5-{[3-(propan-2-yl)benzyl]amino}tetrahydro-2H-thiopyran-3-yl]methyl}benzyl)-3-propyl-1,3-oxazolidin-2-one, Beta-secretase 1 | Authors: | Rondeau, J.M. | Deposit date: | 2011-01-13 | Release date: | 2011-03-23 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Structure based design, synthesis and SAR of cyclic hydroxyethylamine (HEA) BACE-1 inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
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7TQV
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![BU of 7tqv by Molmil](/molmil-images/mine/7tqv) | SARS-CoV-2 endoribonuclease Nsp15 bound to dsRNA | Descriptor: | RNA (33-MER), Uridylate-specific endoribonuclease | Authors: | Frazier, M.N, Krahn, J.M, Butay, K.J, Dillard, L.B, Borgnia, M.J, Stanley, R.E. | Deposit date: | 2022-01-27 | Release date: | 2022-03-23 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.43 Å) | Cite: | Flipped over U: structural basis for dsRNA cleavage by the SARS-CoV-2 endoribonuclease. Nucleic Acids Res., 50, 2022
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7TJ2
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![BU of 7tj2 by Molmil](/molmil-images/mine/7tj2) | SARS-CoV-2 endoribonuclease Nsp15 bound to dsRNA | Descriptor: | RNA (31-MER), Uridylate-specific endoribonuclease nsp15 | Authors: | Frazier, M.N, Krahn, J.M, Butay, K.J, Dillard, L.B, Borgnia, M.J, Stanley, R.E. | Deposit date: | 2022-01-14 | Release date: | 2022-03-23 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Flipped over U: structural basis for dsRNA cleavage by the SARS-CoV-2 endoribonuclease. Nucleic Acids Res., 50, 2022
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3PCY
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![BU of 3pcy by Molmil](/molmil-images/mine/3pcy) | THE CRYSTAL STRUCTURE OF MERCURY-SUBSTITUTED POPLAR PLASTOCYANIN AT 1.9-ANGSTROMS RESOLUTION | Descriptor: | MERCURY (II) ION, PLASTOCYANIN | Authors: | Church, W.B, Guss, J.M, Potter, J.J, Freeman, H.C. | Deposit date: | 1985-12-10 | Release date: | 1986-01-21 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The crystal structure of mercury-substituted poplar plastocyanin at 1.9-A resolution. J.Biol.Chem., 261, 1986
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1CMK
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![BU of 1cmk by Molmil](/molmil-images/mine/1cmk) | CRYSTAL STRUCTURES OF THE MYRISTYLATED CATALYTIC SUBUNIT OF CAMP-DEPENDENT PROTEIN KINASE REVEAL OPEN AND CLOSED CONFORMATIONS | Descriptor: | IODIDE ION, MYRISTIC ACID, cAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT, ... | Authors: | Zheng, J, Knighton, D.R, Xuong, N.-H, Taylor, S.S, Sowadski, J.M, Ten Eyck, L.F. | Deposit date: | 1993-11-18 | Release date: | 1994-05-31 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structures of the myristylated catalytic subunit of cAMP-dependent protein kinase reveal open and closed conformations. Protein Sci., 2, 1993
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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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3CCP
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![BU of 3ccp by Molmil](/molmil-images/mine/3ccp) | X-RAY STRUCTURES OF RECOMBINANT YEAST CYTOCHROME C PEROXIDASE AND THREE HEME-CLEFT MUTANTS PREPARED BY SITE-DIRECTED MUTAGENESIS | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, YEAST CYTOCHROME C PEROXIDASE | Authors: | Wang, J, Mauro, J.M, Edwards, S.L, Oatley, S.J, Fishel, L.A, Ashford, V.A, Xuong, N.-H, Kraut, J. | Deposit date: | 1990-02-28 | Release date: | 1991-07-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | X-ray structures of recombinant yeast cytochrome c peroxidase and three heme-cleft mutants prepared by site-directed mutagenesis. Biochemistry, 29, 1990
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1PVC
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3PDC
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![BU of 3pdc by Molmil](/molmil-images/mine/3pdc) | |
4JJB
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4JJD
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3HC8
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![BU of 3hc8 by Molmil](/molmil-images/mine/3hc8) | Investigation of Aminopyridiopyrazinones as PDE5 Inhibitors: Evaluation of Modifications to the Central Ring System. | Descriptor: | 6-(6-methoxypyridin-3-yl)-2-[(2-morpholin-4-ylethyl)amino]-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3(4H)-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Hughes, R.O, Stallings, W.C, Cubbage, J.W, Williams, J.M. | Deposit date: | 2009-05-05 | Release date: | 2009-07-07 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Investigation of aminopyridiopyrazinones as PDE5 inhibitors: Evaluation of modifications to the central ring system. Bioorg.Med.Chem.Lett., 19, 2009
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4JJC
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5LDS
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![BU of 5lds by Molmil](/molmil-images/mine/5lds) | Structure of the porcine aminopeptidase N ectodomain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | Authors: | Santiago, C, Reguera, J, Mudgal, G, Casasnovas, J.M. | Deposit date: | 2016-06-27 | Release date: | 2017-04-05 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Allosteric inhibition of aminopeptidase N functions related to tumor growth and virus infection. Sci Rep, 7, 2017
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5LFB
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![BU of 5lfb by Molmil](/molmil-images/mine/5lfb) | Structure of the bacterial sex F pilus (12.5 Angstrom rise) | Descriptor: | Pilin, [(2~{S})-3-[[(2~{R})-2,3-bis(oxidanyl)propoxy]-oxidanyl-phosphoryl]oxy-2-hexadec-9-enoyloxy-propyl] hexadecanoate | Authors: | Costa, T.R.D, Ilangovan, I, Ukleja, M, Redzej, A, Santini, J.M, Smith, T.K, Egelman, E.H, Waksman, G. | Deposit date: | 2016-06-30 | Release date: | 2016-11-02 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (5 Å) | Cite: | Structure of the Bacterial Sex F Pilus Reveals an Assembly of a Stoichiometric Protein-Phospholipid Complex. Cell, 166, 2016
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5LKB
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![BU of 5lkb by Molmil](/molmil-images/mine/5lkb) | Crystal structure of the Xi glutathione transferase ECM4 from Saccharomyces cerevisiae | Descriptor: | GLYCEROL, Glutathione S-transferase omega-like 2 | Authors: | Schwartz, M, Didierjean, C, Hecker, A, Girardet, J.M, Morel-Rouhier, M, Gelhaye, E, Favier, F. | Deposit date: | 2016-07-22 | Release date: | 2016-10-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Crystal Structure of Saccharomyces cerevisiae ECM4, a Xi-Class Glutathione Transferase that Reacts with Glutathionyl-(hydro)quinones. Plos One, 11, 2016
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5LHD
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![BU of 5lhd by Molmil](/molmil-images/mine/5lhd) | Structure of glycosylated human aminopeptidase N | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Recacha, R, Mudgal, G, Santiago, C, Casasnovas, J.M. | Deposit date: | 2016-07-11 | Release date: | 2017-04-05 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Allosteric inhibition of aminopeptidase N functions related to tumor growth and virus infection. Sci Rep, 7, 2017
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