1CVY
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![BU of 1cvy by Molmil](/molmil-images/mine/1cvy) | CRYSTAL STRUCTURE OF POLYAMIDE DIMER (IMPYPYPYBETADP)2 BOUND TO CCAGATCTGG | Descriptor: | 5'-D(*CP*CP*AP*GP*AP*TP*CP*TP*GP*G)-3', IMIDAZOLE-PYRROLE POLYAMIDE | Authors: | Kielkopf, C.L, Bremer, R.E, White, S, Baird, E.E, Dervan, P.B, Rees, D.C. | Deposit date: | 1999-08-24 | Release date: | 2000-01-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural effects of DNA sequence on T.A recognition by hydroxypyrrole/pyrrole pairs in the minor groove. J.Mol.Biol., 295, 2000
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5HJ3
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![BU of 5hj3 by Molmil](/molmil-images/mine/5hj3) | Crystal structure of host-primed Ebola virus GP, GPcl. | Descriptor: | Envelope glycoprotein, KZ52 Antibody Fragment, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Bornholdt, Z.A, Fusco, M.L, Saphire, E.O. | Deposit date: | 2016-01-12 | Release date: | 2016-03-09 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Host-Primed Ebola Virus GP Exposes a Hydrophobic NPC1 Receptor-Binding Pocket, Revealing a Target for Broadly Neutralizing Antibodies. Mbio, 7, 2016
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1CVX
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![BU of 1cvx by Molmil](/molmil-images/mine/1cvx) | CRYSTAL STRUCTURE OF POLYAMIDE DIMER (IMPYHPPYBETADP)2 BOUND TO B-DNA DECAMER CCAGATCTGG | Descriptor: | 5'-D(*CP*CP*AP*GP*AP*TP*CP*TP*GP*G)-3', HYDROXYPYRROLE-IMIDAZOLE-PYRROLE POLYAMIDE | Authors: | Kielkopf, C.L, Bremer, R.E, White, S, Baird, E.E, Dervan, P.B, Rees, D.C. | Deposit date: | 1999-08-24 | Release date: | 2000-01-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Structural effects of DNA sequence on T.A recognition by hydroxypyrrole/pyrrole pairs in the minor groove. J.Mol.Biol., 295, 2000
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1LWF
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![BU of 1lwf by Molmil](/molmil-images/mine/1lwf) | CRYSTAL STRUCTURE OF A MUTANT HIV-1 REVERSE TRANSCRIPTASE (RTMQ+M184V: M41L/D67N/K70R/M184V/T215Y) IN COMPLEX WITH NEVIRAPINE | Descriptor: | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, HIV-1 REVERSE TRANSCRIPTASE | Authors: | Ren, J, Chamberlain, P.P, Nichols, C.E, Douglas, L, Stuart, D.I, Stammers, D.K. | Deposit date: | 2002-05-31 | Release date: | 2002-10-30 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structures of Zidovudine- or Lamivudine-resistant human immunodeficiency virus type 1 reverse transcriptases containing mutations at codons 41, 184, and 215. J.Virol., 76, 2002
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1CEV
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![BU of 1cev by Molmil](/molmil-images/mine/1cev) | ARGINASE FROM BACILLUS CALDOVELOX, NATIVE STRUCTURE AT PH 5.6 | Descriptor: | MANGANESE (II) ION, PROTEIN (ARGINASE) | Authors: | Bewley, M.C, Jeffrey, P.D, Patchett, M.L, Kanyo, Z.F, Baker, E.N. | Deposit date: | 1999-03-12 | Release date: | 1999-04-16 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structures of Bacillus caldovelox arginase in complex with substrate and inhibitors reveal new insights into activation, inhibition and catalysis in the arginase superfamily. Structure Fold.Des., 7, 1999
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1LW0
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![BU of 1lw0 by Molmil](/molmil-images/mine/1lw0) | CRYSTAL STRUCTURE OF T215Y MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH NEVIRAPINE | Descriptor: | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, HIV-1 REVERSE TRANSCRIPTASE, PHOSPHATE ION | Authors: | Ren, J, Chamberlain, P.P, Nichols, C.E, Douglas, L, Stuart, D.I, Stammers, D.K. | Deposit date: | 2002-05-30 | Release date: | 2002-10-30 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structures of Zidovudine- or Lamivudine-resistant human immunodeficiency virus type 1 reverse transcriptases containing mutations at codons 41, 184, and 215. J.Virol., 76, 2002
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1CGU
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![BU of 1cgu by Molmil](/molmil-images/mine/1cgu) | CATALYTIC CENTER OF CYCLODEXTRIN GLYCOSYLTRANSFERASE DERIVED FROM X-RAY STRUCTURE ANALYSIS COMBINED WITH SITE-DIRECTED MUTAGENESIS | Descriptor: | CALCIUM ION, CYCLODEXTRIN GLYCOSYL-TRANSFERASE, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Klein, C, Hollender, J, Bender, H, Schulz, G.E. | Deposit date: | 1992-06-10 | Release date: | 1994-01-31 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Catalytic center of cyclodextrin glycosyltransferase derived from X-ray structure analysis combined with site-directed mutagenesis. Biochemistry, 31, 1992
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1LWE
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![BU of 1lwe by Molmil](/molmil-images/mine/1lwe) | CRYSTAL STRUCTURE OF M41L/T215Y MUTANT HIV-1 REVERSE TRANSCRIPTASE (RTMN) IN COMPLEX WITH NEVIRAPINE | Descriptor: | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, HIV-1 REVERSE TRANSCRIPTASE, PHOSPHATE ION | Authors: | Ren, J, Chamberlain, P.P, Nichols, C.E, Douglas, L, Stuart, D.I, Stammers, D.K. | Deposit date: | 2002-05-31 | Release date: | 2002-10-30 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Crystal structures of Zidovudine- or Lamivudine-resistant human immunodeficiency virus type 1 reverse transcriptases containing mutations at codons 41, 184, and 215. J.Virol., 76, 2002
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2LT7
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![BU of 2lt7 by Molmil](/molmil-images/mine/2lt7) | Solution NMR structure of Kaiso zinc finger DNA binding domain in complex with Kaiso binding site DNA | Descriptor: | DNA (5'-D(*CP*GP*TP*TP*AP*TP*TP*GP*GP*CP*AP*GP*GP*AP*AP*GP*CP*AP*C)-3'), DNA (5'-D(*GP*TP*GP*CP*TP*TP*CP*CP*TP*GP*CP*CP*AP*AP*TP*AP*AP*CP*G)-3'), Transcriptional regulator Kaiso, ... | Authors: | Buck-Koehntop, B.A, Stanfield, R.L, Ekiert, D.C, Martinez-Yamout, M.A, Dyson, H, Wilson, I.A, Wright, P.E. | Deposit date: | 2012-05-15 | Release date: | 2012-09-05 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Molecular basis for recognition of methylated and specific DNA sequences by the zinc finger protein Kaiso. Proc.Natl.Acad.Sci.USA, 109, 2012
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8V7Q
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![BU of 8v7q by Molmil](/molmil-images/mine/8v7q) | |
5H7U
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![BU of 5h7u by Molmil](/molmil-images/mine/5h7u) | NMR structure of eIF3 36-163 | Descriptor: | Eukaryotic translation initiation factor 3 subunit C | Authors: | Nagata, T, Obayashi, E. | Deposit date: | 2016-11-21 | Release date: | 2017-05-31 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Molecular Landscape of the Ribosome Pre-initiation Complex during mRNA Scanning: Structural Role for eIF3c and Its Control by eIF5. Cell Rep, 18, 2017
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7NCN
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![BU of 7ncn by Molmil](/molmil-images/mine/7ncn) | Glutathione-S-transferase GliG mutant S83A | Descriptor: | 1,2-ETHANEDIOL, Glutathione S-transferase GliG | Authors: | Groll, M, Huber, E.M. | Deposit date: | 2021-01-29 | Release date: | 2021-05-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and Mechanistic Insights into C-S Bond Formation in Gliotoxin. Angew.Chem.Int.Ed.Engl., 60, 2021
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7NC3
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![BU of 7nc3 by Molmil](/molmil-images/mine/7nc3) | |
7NCP
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![BU of 7ncp by Molmil](/molmil-images/mine/7ncp) | Glutathione-S-transferase GliG mutant K127A | Descriptor: | 1,2-ETHANEDIOL, Glutathione S-transferase GliG, SODIUM ION | Authors: | Groll, M, Huber, E.M. | Deposit date: | 2021-01-29 | Release date: | 2021-05-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural and Mechanistic Insights into C-S Bond Formation in Gliotoxin. Angew.Chem.Int.Ed.Engl., 60, 2021
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9F41
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![BU of 9f41 by Molmil](/molmil-images/mine/9f41) | Crystal structure of the NTD domain from S. cerevisia Niemann-Pick type C protein NCR1 with cholesterol bound | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHOLESTEROL, DI(HYDROXYETHYL)ETHER, ... | Authors: | Nel, L, Olesen, E, Frain, K.M, Pedersen, B.P. | Deposit date: | 2024-04-26 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Structural and biochemical analysis of ligand binding in yeast Niemann-Pick type C 1-related protein To Be Published
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6HZU
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![BU of 6hzu by Molmil](/molmil-images/mine/6hzu) | HUMAN JAK1 IN COMPLEX WITH LASW1393 | Descriptor: | 2-[4-[8-oxidanylidene-2-[(~{E})-(2-oxidanylidenepyridin-3-ylidene)amino]-7~{H}-purin-9-yl]cyclohexyl]ethanenitrile, Tyrosine-protein kinase JAK1 | Authors: | Lozoya, E, Segarra, V, Bach, J, Jestel, A, Lammens, A, Blaesse, M. | Deposit date: | 2018-10-24 | Release date: | 2019-10-23 | Last modified: | 2019-11-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Identification of 2-Imidazopyridine and 2-Aminopyridone Purinones as Potent Pan-Janus Kinase (JAK) Inhibitors for the Inhaled Treatment of Respiratory Diseases. J.Med.Chem., 62, 2019
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5L6V
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![BU of 5l6v by Molmil](/molmil-images/mine/5l6v) | Crystal structure of E. coli ADP-glucose pyrophosphorylase (AGPase) in complex with a negative allosteric regulator adenosine monophosphate (AMP) - AGPase*AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, Glucose-1-phosphate adenylyltransferase, PHOSPHATE ION, ... | Authors: | Cifuente, J.O, Albesa-Jove, D, Comino, N, Madariaga-Marcos, J, Agirre, J, Lopez-Fernandez, S, Garcia-Alija, M, Guerin, M.E. | Deposit date: | 2016-05-31 | Release date: | 2016-09-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.667 Å) | Cite: | Structural Basis of Glycogen Biosynthesis Regulation in Bacteria. Structure, 24, 2016
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7A17
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![BU of 7a17 by Molmil](/molmil-images/mine/7a17) | Crystal structure of the 5-phosphatase domain of Synaptojanin1 bound to its substrate diC8-PI(3,4,5)P3 in complex with a nanobody | Descriptor: | (2R)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane -1,2-diyl dioctanoate, GLYCEROL, Isoform 2 of Synaptojanin-1, ... | Authors: | Paesmans, J, Galicia, C, Martin, E, Versees, W. | Deposit date: | 2020-08-12 | Release date: | 2020-12-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | A structure of substrate-bound Synaptojanin1 provides new insights in its mechanism and the effect of disease mutations. Elife, 9, 2020
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6ODB
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![BU of 6odb by Molmil](/molmil-images/mine/6odb) | Crystal structure of HDAC8 in complex with compound 3 | Descriptor: | GLYCEROL, Histone deacetylase 8, N-{2-[(1E)-3-(hydroxyamino)-3-oxoprop-1-en-1-yl]phenyl}-2-phenoxybenzamide, ... | Authors: | Zheng, X, Conti, C, Caravella, J, Zablocki, M.-M, Bair, K, Barczak, N, Han, B, Lancia Jr, D, Liu, C, Martin, M, Ng, P.Y, Rudnitskaya, A, Thomason, J.J, Garcia-Dancey, R, Hardy, C, Lahdenranta, J, Leng, C, Li, P, Pardo, E, Saldahna, A, Tan, T, Toms, A.V, Yao, L, Zhang, C. | Deposit date: | 2019-03-26 | Release date: | 2020-04-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors To Be Published
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9FQ9
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![BU of 9fq9 by Molmil](/molmil-images/mine/9fq9) | Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the covalently bound inhibitor PSB-21110 (compound 29b in publication) | Descriptor: | (5-chloranylpyridin-3-yl) 4-ethoxy-2-fluoranyl-benzoate, BROMIDE ION, Non-structural protein 11 | Authors: | Strater, N, Claff, T, Sylvester, K, Oneto, A, Guetschow, M, Mueller, C.E. | Deposit date: | 2024-06-19 | Release date: | 2024-08-28 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Nonpeptidic Irreversible Inhibitors of SARS-CoV-2 Main Protease with Potent Antiviral Activity. J.Med.Chem., 2024
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7SH2
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![BU of 7sh2 by Molmil](/molmil-images/mine/7sh2) | Structure of the yeast Rad24-RFC loader bound to DNA and the open 9-1-1 clamp | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Checkpoint protein RAD24, Crick strand, ... | Authors: | Zheng, F, Georgescu, R, Yao, Y.N, O'Donnell, M.E, Li, H. | Deposit date: | 2021-10-07 | Release date: | 2022-03-23 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.23 Å) | Cite: | DNA is loaded through the 9-1-1 DNA checkpoint clamp in the opposite direction of the PCNA clamp. Nat.Struct.Mol.Biol., 29, 2022
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9F40
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![BU of 9f40 by Molmil](/molmil-images/mine/9f40) | Crystal structure of the NTD domain from S. cerevisia Niemann-Pick type C protein NCR1 with ergosterol bound | Descriptor: | ACETONITRILE, DI(HYDROXYETHYL)ETHER, ERGOSTEROL, ... | Authors: | Nel, L, Olesen, E, Frain, K.M, Pedersen, B.P. | Deposit date: | 2024-04-26 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Structural and biochemical analysis of ligand binding in yeast Niemann-Pick type C 1-related protein To Be Published
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7SGZ
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![BU of 7sgz by Molmil](/molmil-images/mine/7sgz) | Structure of the yeast Rad24-RFC loader bound to DNA and the closed 9-1-1 clamp | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Checkpoint protein RAD24, Crick strand, ... | Authors: | Zheng, F, Georgescu, R, Yao, Y.N, O'Donnell, M.E, Li, H. | Deposit date: | 2021-10-07 | Release date: | 2022-03-23 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.17 Å) | Cite: | DNA is loaded through the 9-1-1 DNA checkpoint clamp in the opposite direction of the PCNA clamp. Nat.Struct.Mol.Biol., 29, 2022
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5LI1
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![BU of 5li1 by Molmil](/molmil-images/mine/5li1) | Structure of a Par3-inhibitory peptide bound to PKCiota core kinase domain | Descriptor: | GLYCEROL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Soriano, E.V, Purkiss, A.G, McDonald, N.Q. | Deposit date: | 2016-07-13 | Release date: | 2016-09-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | aPKC Inhibition by Par3 CR3 Flanking Regions Controls Substrate Access and Underpins Apical-Junctional Polarization. Dev.Cell, 38, 2016
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8EHS
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![BU of 8ehs by Molmil](/molmil-images/mine/8ehs) | |