3CVY
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![BU of 3cvy by Molmil](/molmil-images/mine/3cvy) | Drosophila melanogaster (6-4) photolyase bound to repaired ds DNA | Descriptor: | DNA (5'-D(*DAP*DCP*DAP*DGP*DCP*DGP*DGP*DTP*DTP*DGP*DCP*DAP*DGP*DGP*DT)-3'), DNA (5'-D(*DTP*DAP*DCP*DCP*DTP*DGP*DCP*DAP*DAP*DCP*DCP*DGP*DCP*DTP*DG)-3'), FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Maul, M.J, Barends, T.R.M, Glas, A.F, Cryle, M.J, Schlichting, I, Carell, T. | Deposit date: | 2008-04-20 | Release date: | 2008-11-04 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure and mechanism of a DNA (6-4) photolyase. Angew.Chem.Int.Ed.Engl., 47, 2008
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1EKA
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![BU of 1eka by Molmil](/molmil-images/mine/1eka) | NMR AND MOLECULAR MODELING REVEAL THAT DIFFERENT HYDROGEN BONDING PATTERNS ARE POSSIBLE FOR GU PAIRS: ONE HYDROGEN BOND FOR EACH GU PAIR IN R(GGCGUGCC)2 AND TWO FOR EACH GU PAIR IN R(GAGUGCUC)2 | Descriptor: | RNA (5'-R(*GP*AP*GP*UP*GP*CP*UP*C)-3') | Authors: | Chen, X, McDowell, J.A, Kierzek, R, Krugh, T.R, Turner, D.H. | Deposit date: | 2000-03-07 | Release date: | 2000-11-13 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Nuclear magnetic resonance spectroscopy and molecular modeling reveal that different hydrogen bonding patterns are possible for G.U pairs: one hydrogen bond for each G.U pair in r(GGCGUGCC)(2) and two for each G.U pair in r(GAGUGCUC)(2). Biochemistry, 39, 2000
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3CFT
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3CFM
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1EM6
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![BU of 1em6 by Molmil](/molmil-images/mine/1em6) | HUMAN LIVER GLYCOGEN PHOSPHORYLASE A COMPLEXED WITH GLCNAC AND CP-526,423 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, BIS[5-CHLORO-1H-INDOL-2-YL-CARBONYL-AMINOETHYL]-ETHYLENE GLYCOL, LIVER GLYCOGEN PHOSPHORYLASE, ... | Authors: | Rath, V.L, Ammirati, M, Danley, D.E, Ekstrom, J.L, Hynes, T.R, Olson, T.V, Hoover, D.J. | Deposit date: | 2000-03-16 | Release date: | 2000-11-01 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Human liver glycogen phosphorylase inhibitors bind at a new allosteric site. Chem.Biol., 7, 2000
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1EKD
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![BU of 1ekd by Molmil](/molmil-images/mine/1ekd) | NMR AND MOLECULAR MODELING REVEAL THAT DIFFERENT HYDROGEN BONDING PATTERNS ARE POSSIBLE FOR GU PAIRS: ONE HYDROGEN BOND FOR EACH GU PAIR IN R(GGCGUGCC)2 AND TWO FOR EACH GU PAIR IN R(GAGUGCUC)2 | Descriptor: | RNA (5'-R(*GP*GP*CP*GP*UP*GP*CP*C)-3') | Authors: | Chen, X, McDowell, J.A, Kierzek, R, Krugh, T.R, Turner, D.H. | Deposit date: | 2000-03-07 | Release date: | 2000-11-13 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Nuclear magnetic resonance spectroscopy and molecular modeling reveal that different hydrogen bonding patterns are possible for G.U pairs: one hydrogen bond for each G.U pair in r(GGCGUGCC)(2) and two for each G.U pair in r(GAGUGCUC)(2). Biochemistry, 39, 2000
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1EEK
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![BU of 1eek by Molmil](/molmil-images/mine/1eek) | SOLUTION STRUCTURE OF A NONPOLAR, NON HYDROGEN BONDED BASE PAIR SURROGATE IN DNA. | Descriptor: | 5'-D(*CP*GP*CP*AP*TP*(DFT)P*GP*TP*TP*AP*CP*C)-3', 5'-D(*GP*GP*TP*AP*AP*CP*(MBZ)P*AP*TP*GP*CP*G)-3' | Authors: | Kool, E.T, Krugh, T.R, Guckian, K.M. | Deposit date: | 2000-02-01 | Release date: | 2000-02-16 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution Structure of a Nonpolar, Non-Hydrogen-Bonded Base Pair Surrogate in DNA J.Am.Chem.Soc., 122, 2000
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1EXV
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![BU of 1exv by Molmil](/molmil-images/mine/1exv) | HUMAN LIVER GLYCOGEN PHOSPHORYLASE A COMPLEXED WITH GLCNAC AND CP-403,700 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, LIVER GLYCOGEN PHOSPHORYLASE, N-acetyl-beta-D-glucopyranosylamine, ... | Authors: | Rath, V.L, Ammirati, M, Danley, D.E, Ekstrom, J.L, Hynes, T.R, Olson, T.V, Hoover, D.J. | Deposit date: | 2000-05-04 | Release date: | 2000-11-01 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Human liver glycogen phosphorylase inhibitors bind at a new allosteric site. Chem.Biol., 7, 2000
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3DGD
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![BU of 3dgd by Molmil](/molmil-images/mine/3dgd) | Crystal structure of the F87M/L110M mutant of human transthyretin at pH 4.6 | Descriptor: | ACETATE ION, GLYCEROL, Transthyretin, ... | Authors: | Palmieri, L.C, Freire, J.B.B, Foguel, D, Lima, L.M.T.R. | Deposit date: | 2008-06-13 | Release date: | 2008-07-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.383 Å) | Cite: | Novel Zn2+-binding sites in human transthyretin: implications for amyloidogenesis and retinol-binding protein recognition. J.Biol.Chem., 285, 2010
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6AX4
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![BU of 6ax4 by Molmil](/molmil-images/mine/6ax4) | Plk-1 polo-box domain in complex with histidine N(tau)-cyclized Macrocycle 5b. | Descriptor: | AMYLAMINE, Serine/threonine-protein kinase PLK1, histidine N(tau)-cyclized Macrocycle 5b | Authors: | Grant, R.A, Hymel, D, Yaffe, M.B, Burke, T.R. | Deposit date: | 2017-09-06 | Release date: | 2018-09-12 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Histidine N( tau )-cyclized macrocycles as a new genre of polo-like kinase 1 polo-box domain-binding inhibitors. Bioorg. Med. Chem. Lett., 28, 2018
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6HRV
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6HAL
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![BU of 6hal by Molmil](/molmil-images/mine/6hal) | Human carbonmonoxy hemoglobin SFX dataset | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Doak, B, Gorel, A, Foucar, L, Barends, T.R.M, Gruenbein, M.L, Hilpert, M, Kloos, M, Nass Kovacs, G, Roome, C.M, Shoeman, R.L, Stricker, M, Tono, K, You, D, Ueda, K, Sherrell, D.A, Owen, R.L, Schlichting, I. | Deposit date: | 2018-08-07 | Release date: | 2018-10-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystallography on a chip - without the chip: sheet-on-sheet sandwich. Acta Crystallogr D Struct Biol, 74, 2018
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6HSJ
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![BU of 6hsj by Molmil](/molmil-images/mine/6hsj) | Crystal structure of the zebrafish peroxisomal SCP2-thiolase (type-1) in complex with CoA | Descriptor: | ACETATE ION, COENZYME A, GLYCEROL, ... | Authors: | Wierenga, R.K, Kiema, T.R, Thapa, C.J. | Deposit date: | 2018-10-01 | Release date: | 2019-01-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | The peroxisomal zebrafish SCP2-thiolase (type-1) is a weak transient dimer as revealed by crystal structures and native mass spectrometry. Biochem. J., 476, 2019
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6HIF
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![BU of 6hif by Molmil](/molmil-images/mine/6hif) | Kuenenia stuttgartiensis hydrazine dehydrogenase complex | Descriptor: | GLYCEROL, HEME C, Hydrazine dehydrogenase, ... | Authors: | Akram, M, Dietl, A, Mersdorf, U, Prinz, S, Maalcke, W, Keltjens, J, Ferousi, C, de Almeida, N.M, Reimann, J, Kartal, B, Jetten, M.S.M, Parey, K, Barends, T.R.M. | Deposit date: | 2018-08-29 | Release date: | 2019-04-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A 192-heme electron transfer network in the hydrazine dehydrogenase complex. Sci Adv, 5, 2019
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6HSP
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![BU of 6hsp by Molmil](/molmil-images/mine/6hsp) | Crystal structure of the zebrafish peroxisomal SCP2-thiolase (type-1) in complex with CoA and octanoyl-CoA | Descriptor: | COENZYME A, GLYCEROL, OCTANOYL-COENZYME A, ... | Authors: | Wierenga, R.K, Kiema, T.R, Thapa, C.J. | Deposit date: | 2018-10-01 | Release date: | 2019-01-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | The peroxisomal zebrafish SCP2-thiolase (type-1) is a weak transient dimer as revealed by crystal structures and native mass spectrometry. Biochem. J., 476, 2019
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6DIM
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![BU of 6dim by Molmil](/molmil-images/mine/6dim) | Crystal structure of Tdp1 catalytic domain in complex with Zenobia fragment ZT1982 from cocktail soak | Descriptor: | 1,2-ETHANEDIOL, 4-hydroxyquinoline-3-carboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | Deposit date: | 2018-05-23 | Release date: | 2019-05-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening. Nucleic Acids Res., 47, 2019
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6DJD
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![BU of 6djd by Molmil](/molmil-images/mine/6djd) | Crystal structure of Tdp1 catalytic domain in complex with Zenobia fragment ZT1982 (single soak) | Descriptor: | 1,2-ETHANEDIOL, 4-hydroxyquinoline-3-carboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | Deposit date: | 2018-05-25 | Release date: | 2019-05-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.777 Å) | Cite: | Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening. Nucleic Acids Res., 2019
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6DHU
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![BU of 6dhu by Molmil](/molmil-images/mine/6dhu) | Crystal structure of Tdp1 catalytic domain in complex with Zenobia fragment ZT0911 from cocktail soak | Descriptor: | 1,2-ETHANEDIOL, Tyrosyl-DNA phosphodiesterase 1, benzene-1,2,4-tricarboxylic acid | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | Deposit date: | 2018-05-21 | Release date: | 2019-05-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening. Nucleic Acids Res., 47, 2019
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6DIE
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![BU of 6die by Molmil](/molmil-images/mine/6die) | Crystal structure of Tdp1 catalytic domain in complex with Zenobia fragment benzene-1,2,4-tricarboxylic acid from single soak | Descriptor: | 1,2-ETHANEDIOL, Tdp1 catalytic domain (residues 149-609), benzene-1,2,4-tricarboxylic acid | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | Deposit date: | 2018-05-23 | Release date: | 2019-05-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening. Nucleic Acids Res., 47, 2019
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6DJF
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![BU of 6djf by Molmil](/molmil-images/mine/6djf) | Crystal structure of Tdp1 catalytic domain in complex with compound XZ502 | Descriptor: | 1,2-ETHANEDIOL, 4-hydroxyquinoline-3,8-dicarboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | Deposit date: | 2018-05-25 | Release date: | 2019-05-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening. Nucleic Acids Res., 47, 2019
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6DJE
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![BU of 6dje by Molmil](/molmil-images/mine/6dje) | Crystal structure of Tdp1 catalytic domain in complex with Sigma Aldrich compound CDS010292 | Descriptor: | 1,2-ETHANEDIOL, 4-hydroxy-8-(propan-2-yl)quinoline-3-carboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | Deposit date: | 2018-05-25 | Release date: | 2019-05-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.705 Å) | Cite: | Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening. Nucleic Acids Res., 47, 2019
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6DJH
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![BU of 6djh by Molmil](/molmil-images/mine/6djh) | Crystal structure of Tdp1 catalytic domain in complex with compound XZ515 | Descriptor: | 1,2-ETHANEDIOL, 8-bromo-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | Deposit date: | 2018-05-25 | Release date: | 2019-05-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.918 Å) | Cite: | Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening. Nucleic Acids Res., 47, 2019
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6DJI
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![BU of 6dji by Molmil](/molmil-images/mine/6dji) | Crystal structure of Tdp1 catalytic domain in complex with compound XZ522 | Descriptor: | 1,2-ETHANEDIOL, 3-hydroxybenzene-1,2-dicarboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | Deposit date: | 2018-05-25 | Release date: | 2019-05-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening. Nucleic Acids Res., 47, 2019
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8QQ3
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![BU of 8qq3 by Molmil](/molmil-images/mine/8qq3) | Streptavidin with a Ni-cofactor | Descriptor: | 4-[4-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]butylamino]-~{N}1,~{N}1'-di(quinolin-8-yl)cyclohexane-1,1-dicarboxamide, NICKEL (II) ION, Streptavidin | Authors: | Zhang, K, Jakob, R.P, Ward, T.R. | Deposit date: | 2023-10-03 | Release date: | 2024-02-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | An artificial nickel chlorinase based on the biotin-streptavidin technology. Chem.Commun.(Camb.), 60, 2024
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8QO4
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![BU of 8qo4 by Molmil](/molmil-images/mine/8qo4) | Conserved Structures and Dynamics in 5-Proximal Regions of Betacoronavirus RNA Genomes | Descriptor: | MERS-CoV-SL5 | Authors: | Moura, T.R, Purta, E, Bernat, A, Baulin, E, Mukherjee, S, Bujnicki, J.M. | Deposit date: | 2023-09-28 | Release date: | 2024-03-06 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (5.9 Å) | Cite: | Conserved structures and dynamics in 5'-proximal regions of Betacoronavirus RNA genomes. Nucleic Acids Res., 52, 2024
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