1S0W
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6YQT
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![BU of 6yqt by Molmil](/molmil-images/mine/6yqt) | CRYSTAL STRUCTURE OF HUMAN CA II IN COMPLEX WITH A SULFONAMIDE DERIVATIVE OF 2-MERCAPTOBENZOXAZOLE | Descriptor: | 2-sulfanylidene-3~{H}-1,3-benzoxazole-5-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Alterio, V, De Simone, G, Esposito, D. | Deposit date: | 2020-04-18 | Release date: | 2020-07-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | 2-Mercaptobenzoxazoles: a class of carbonic anhydrase inhibitors with a novel binding mode to the enzyme active site. Chem.Commun.(Camb.), 56, 2020
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6YLR
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![BU of 6ylr by Molmil](/molmil-images/mine/6ylr) | Translation initiation factor 4E in complex with bn7GpppG mRNA 5' cap analog | Descriptor: | Eukaryotic translation initiation factor 4E, bn7GpppG mRNA 5' cap analog | Authors: | Kubacka, D, Wojcik, R, Baranowski, M.R, Warminski, M, Kowalska, J, Jemielity, J. | Deposit date: | 2020-04-07 | Release date: | 2020-04-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1954546 Å) | Cite: | Novel N7-Arylmethyl Substituted Dinucleotide mRNA 5' cap Analogs: Synthesis and Evaluation as Modulators of Translation. Pharmaceutics, 13, 2021
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5IKW
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![BU of 5ikw by Molmil](/molmil-images/mine/5ikw) | Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor | Descriptor: | BMP-2-inducible protein kinase, N-(6-{3-[(cyclopropylsulfonyl)amino]phenyl}-1H-indazol-3-yl)cyclopropanecarboxamide | Authors: | Counago, R.M, Sorrell, F.J, Krojer, T, Savitsky, P, Elkins, J.M, Axtman, A, Drewry, D, Wells, C, Zhang, C, Zuercher, W, Willson, T.M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Arruda, P, Gileadi, O, Structural Genomics Consortium (SGC) | Deposit date: | 2016-03-04 | Release date: | 2016-06-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Crystal Structure of BMP-2-inducible kinase in complex with a 3-acylaminoindazole inhibitor GSK3236425A To Be Published
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8TXV
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![BU of 8txv by Molmil](/molmil-images/mine/8txv) | Cryo-EM structure of the human nucleosome core particle ubiquitylated at histone H2A K15 in complex with RNF168 (Class 1) | Descriptor: | DNA (147-MER), E3 ubiquitin-protein ligase RNF168, Histone H2A type 1-B/E, ... | Authors: | Hu, Q, Botuyan, M.V, Zhao, D, Cui, G, Mer, G. | Deposit date: | 2023-08-24 | Release date: | 2024-01-17 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Mechanisms of RNF168 nucleosome recognition and ubiquitylation. Mol.Cell, 84, 2024
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6YM0
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![BU of 6ym0 by Molmil](/molmil-images/mine/6ym0) | Crystal structure of the SARS-CoV-2 receptor binding domain in complex with CR3022 Fab (crystal form 1) | Descriptor: | Spike glycoprotein, heavy chain, light chain | Authors: | Huo, J, Zhao, Y, Ren, J, Zhou, D, Ginn, H.M, Fry, E.E, Owens, R, Stuart, D.I. | Deposit date: | 2020-04-07 | Release date: | 2020-04-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (4.36 Å) | Cite: | Neutralization of SARS-CoV-2 by Destruction of the Prefusion Spike. Cell Host Microbe, 28, 2020
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8TXX
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![BU of 8txx by Molmil](/molmil-images/mine/8txx) | Cryo-EM structure of the human nucleosome core particle ubiquitylated at histone H2A K15 in complex with RNF168 (Class 3) | Descriptor: | DNA (147-MER), E3 ubiquitin-protein ligase RNF168, Histone H2A type 1-B/E, ... | Authors: | Hu, Q, Botuyan, M.V, Zhao, D, Cui, G, Mer, G. | Deposit date: | 2023-08-24 | Release date: | 2024-01-17 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Mechanisms of RNF168 nucleosome recognition and ubiquitylation. Mol.Cell, 84, 2024
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6YNJ
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![BU of 6ynj by Molmil](/molmil-images/mine/6ynj) | Crystal structure of YTHDC1 with compound DHU_DC1_046 | Descriptor: | (2~{R})-2-(2-chlorophenyl)-5,5-dimethyl-morpholine, SULFATE ION, YTHDC1 | Authors: | Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A. | Deposit date: | 2020-04-13 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure-based design of ligands of the m6A-RNA reader YTHDC1 Eur J Med Chem Rep, 5, 2022
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6YNM
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![BU of 6ynm by Molmil](/molmil-images/mine/6ynm) | Crystal structure of YTHDC1 with compound DHU_DC1_096 | Descriptor: | 1-[(2~{R},5~{S})-2-(3-chlorophenyl)-5-methyl-morpholin-4-yl]-3-methoxy-propan-2-ol, SULFATE ION, YTHDC1 | Authors: | Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A. | Deposit date: | 2020-04-14 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure-based design of ligands of the m6A-RNA reader YTHDC1 Eur J Med Chem Rep, 5, 2022
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8UPF
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![BU of 8upf by Molmil](/molmil-images/mine/8upf) | Cryo-EM structure of the human nucleosome core particle in complex with RNF168-UbcH5c | Descriptor: | DNA (147-MER), E3 ubiquitin-protein ligase RNF168, Histone H2A type 1-B/E, ... | Authors: | Hu, Q, Botuyan, M.V, Zhao, D, Cui, G, Mer, G. | Deposit date: | 2023-10-22 | Release date: | 2024-01-17 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Mechanisms of RNF168 nucleosome recognition and ubiquitylation. Mol.Cell, 84, 2024
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5IPH
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![BU of 5iph by Molmil](/molmil-images/mine/5iph) | Xanthomonas campestris Peroxiredoxin Q - C84S mutant | Descriptor: | Bacterioferritin comigratory protein, SODIUM ION | Authors: | Perkins, A, Parsonage, D, Nelson, K.J, Poole, L.B, Karplus, A. | Deposit date: | 2016-03-09 | Release date: | 2016-09-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Peroxiredoxin Catalysis at Atomic Resolution. Structure, 24, 2016
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5IQ6
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![BU of 5iq6 by Molmil](/molmil-images/mine/5iq6) | Crystal structure of Dengue virus serotype 3 RNA dependent RNA polymerase bound to HeE1-2Tyr, a new pyridobenzothizole inhibitor | Descriptor: | N-[8-(cyclohexyloxy)-1-oxo-2-phenyl-1H-pyrido[2,1-b][1,3]benzothiazole-4-carbonyl]-L-tyrosine, RNA dependent RNA polymerase, ZINC ION | Authors: | Tarantino, D, Mastrangelo, E, Milani, M. | Deposit date: | 2016-03-10 | Release date: | 2016-10-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Targeting flavivirus RNA dependent RNA polymerase through a pyridobenzothiazole inhibitor. Antiviral Res., 134, 2016
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1DUK
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![BU of 1duk by Molmil](/molmil-images/mine/1duk) | WILD-TYPE RECOMBINANT SPERM WHALE METAQUOMYOGLOBIN | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, WILD-TYPE RECOMBINANT SPERM WHALE METAQUOMYOGLOBIN | Authors: | Barrick, D, Dahlquist, F.W. | Deposit date: | 2000-01-17 | Release date: | 2000-02-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Trans-substitution of the proximal hydrogen bond in myoglobin: I. Structural consequences of hydrogen bond deletion. Proteins, 39, 2000
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6Y1G
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![BU of 6y1g by Molmil](/molmil-images/mine/6y1g) | Photoconverted HcRed in its optoacoustic state | Descriptor: | 1,2-ETHANEDIOL, GFP-like non-fluorescent chromoprotein | Authors: | Janowski, R, Fuenzalida-Werner, J.P, Mishra, K, Stiel, A.C, Niessing, D. | Deposit date: | 2020-02-12 | Release date: | 2020-07-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Challenging a Preconception: Optoacoustic Spectrum Differs from the Optical Absorption Spectrum of Proteins and Dyes for Molecular Imaging. Anal.Chem., 92, 2020
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6YD9
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![BU of 6yd9 by Molmil](/molmil-images/mine/6yd9) | Ecoli GyrB24 with inhibitor 16a | Descriptor: | 1,2-ETHANEDIOL, DNA gyrase subunit B, N-[6-(3-azanylpropanoylamino)-1,3-benzothiazol-2-yl]-3,4-bis(chloranyl)-5-methyl-1H-pyrrole-2-carboxamide | Authors: | Barancokova, M, Skok, Z, Benek, O, Cruz, C.D, Tammela, P, Tomasic, T, Zidar, N, Masic, L.P, Zega, A, Stevenson, C.E.M, Mundy, J, Lawson, D.M, Maxwell, A.M, Kikelj, D, Ilas, J. | Deposit date: | 2020-03-20 | Release date: | 2020-12-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Exploring the Chemical Space of Benzothiazole-Based DNA Gyrase B Inhibitors. Acs Med.Chem.Lett., 11, 2020
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8U13
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![BU of 8u13 by Molmil](/molmil-images/mine/8u13) | Cryo-EM structure of the human nucleosome core particle ubiquitylated at histone H2A lysine 15 in complex with RNF168-UbcH5c (class 1) | Descriptor: | DNA (146-MER), DNA (147-MER), E3 ubiquitin-protein ligase RNF168, ... | Authors: | Hu, Q, Botuyan, M.V, Zhao, D, Cui, G, Mer, G. | Deposit date: | 2023-08-30 | Release date: | 2024-01-17 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Mechanisms of RNF168 nucleosome recognition and ubiquitylation. Mol.Cell, 84, 2024
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5IIA
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![BU of 5iia by Molmil](/molmil-images/mine/5iia) | Crystal structure of red abalone egg VERL repeat 3 in complex with sperm lysin at 1.7 A resolution (crystal form I) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Egg-lysin, Vitelline envelope sperm lysin receptor | Authors: | Sadat Al-Hosseini, H, Raj, I, Nishimura, K, De Sanctis, D, Jovine, L. | Deposit date: | 2016-03-01 | Release date: | 2017-06-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Basis of Egg Coat-Sperm Recognition at Fertilization. Cell, 169, 2017
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8TXW
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![BU of 8txw by Molmil](/molmil-images/mine/8txw) | Cryo-EM structure of the human nucleosome core particle ubiquitylated at histone H2A K15 in complex with RNF168 (Class 2) | Descriptor: | DNA (147-MER), E3 ubiquitin-protein ligase RNF168, Histone H2A type 1-B/E, ... | Authors: | Hu, Q, Botuyan, M.V, Zhao, D, Cui, G, Mer, G. | Deposit date: | 2023-08-24 | Release date: | 2024-01-17 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Mechanisms of RNF168 nucleosome recognition and ubiquitylation. Mol.Cell, 84, 2024
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8U5A
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![BU of 8u5a by Molmil](/molmil-images/mine/8u5a) | Improving protein expression, stability, and function with ProteinMPNN | Descriptor: | Designed myoglobin, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Kalvet, I, Bera, A.K, Baker, D. | Deposit date: | 2023-09-12 | Release date: | 2024-01-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Improving Protein Expression, Stability, and Function with ProteinMPNN. J.Am.Chem.Soc., 146, 2024
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8UYI
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![BU of 8uyi by Molmil](/molmil-images/mine/8uyi) | Structure of ADP-bound and phosphorylated Pediculus humanus (Ph) PINK1 dimer | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Serine/threonine-protein kinase Pink1, ... | Authors: | Gan, Z.Y, Kirk, N.S, Leis, A, Komander, D. | Deposit date: | 2023-11-13 | Release date: | 2024-01-31 | Method: | ELECTRON MICROSCOPY (3.13 Å) | Cite: | Interaction of PINK1 with nucleotides and kinetin. Sci Adv, 10, 2024
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1DXL
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![BU of 1dxl by Molmil](/molmil-images/mine/1dxl) | Dihydrolipoamide dehydrogenase of glycine decarboxylase from Pisum Sativum | Descriptor: | DIHYDROLIPOAMIDE DEHYDROGENASE, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Faure, M, Cohen-Addad, C, Bourguignon, J, Macherel, D, Neuburger, M, Douce, R. | Deposit date: | 2000-01-10 | Release date: | 2000-07-20 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Interaction between the Lipoamide-Containing H-Protein and the Lipoamide Dehydrogenase (L-Protein) of the Glycine Decarboxylase Multienzyme System. 2. Crystal Structure of H- and L-Proteins Eur.J.Biochem., 267, 2000
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5ICR
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![BU of 5icr by Molmil](/molmil-images/mine/5icr) | 2.25 Angstrom Resolution Crystal Structure of Fatty-Acid-CoA Ligase (FadD32) from Mycobacterium smegmatis in complex with Inhibitor 5'-O-[(11-phenoxyundecanoyl)sulfamoyl]adenosine. | Descriptor: | 5'-O-[(11-phenoxyundecanoyl)sulfamoyl]adenosine, Acyl-CoA synthase, CHLORIDE ION, ... | Authors: | Minasov, G, Shuvalova, L, Hung, D, Fisher, S.L, Edelstein, J, Kiryukhina, O, Dubrovska, I, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-02-23 | Release date: | 2016-04-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | 2.25 Angstrom Resolution Crystal Structure of Fatty-Acid-CoA Ligase (FadD32) from Mycobacterium smegmatis in complex with Inhibitor 5'-O-[(11-phenoxyundecanoyl)sulfamoyl]adenosine. To Be Published
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8UM6
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![BU of 8um6 by Molmil](/molmil-images/mine/8um6) | |
1E10
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![BU of 1e10 by Molmil](/molmil-images/mine/1e10) | [2Fe-2S]-Ferredoxin from Halobacterium salinarum | Descriptor: | ACETYL GROUP, FE2/S2 (INORGANIC) CLUSTER, FERREDOXIN | Authors: | Marg, B.-L, Schweimer, K, Oesterhelt, D, Roesch, P, Sticht, H. | Deposit date: | 2000-04-12 | Release date: | 2001-04-09 | Last modified: | 2011-07-13 | Method: | SOLUTION NMR | Cite: | A Two-Alpha-Helix Extra Domain Mediates the Halophilic Character of a Plant-Type Ferredoxin from Halophilic Archaea. Biochemistry, 44, 2005
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6XKW
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![BU of 6xkw by Molmil](/molmil-images/mine/6xkw) | R. capsulatus CIII2CIV bipartite super-complex (SC-2A) with CcoH/cy | Descriptor: | COPPER (II) ION, Cbb3-type cytochrome c oxidase subunit CcoP, Cytochrome b, ... | Authors: | Steimle, S, Van Eeuwen, T, Ozturk, Y, Kim, H.J, Braitbard, M, Selamoglu, N, Garcia, B.A, Schneidman-Duhovny, D, Murakami, K, Daldal, F. | Deposit date: | 2020-06-27 | Release date: | 2020-12-30 | Last modified: | 2021-03-03 | Method: | ELECTRON MICROSCOPY (5.2 Å) | Cite: | Cryo-EM structures of engineered active bc 1 -cbb 3 type CIII 2 CIV super-complexes and electronic communication between the complexes. Nat Commun, 12, 2021
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