6YNE
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![BU of 6yne by Molmil](/molmil-images/mine/6yne) | GAPDH purified from the supernatant of HEK293F cells: crystal form 2 of 4. | Descriptor: | 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, Glyceraldehyde-3-phosphate dehydrogenase | Authors: | Roversi, P, Lia, A. | Deposit date: | 2020-04-13 | Release date: | 2020-05-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.853 Å) | Cite: | Partial catalytic Cys oxidation of human GAPDH to Cys-sulfonic acid. Wellcome Open Res, 5, 2020
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6FY4
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6G07
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![BU of 6g07 by Molmil](/molmil-images/mine/6g07) | RORGT (264-518;C455S) IN COMPLEX WITH INVERSE AGONIST "CPD-9" AND RIP140 PEPTIDE AT 1.66A | Descriptor: | Nuclear receptor ROR-gamma, Nuclear receptor-interacting protein 1, ~{N}-[5-chloranyl-6-[(1~{S})-1-phenylethoxy]pyridin-3-yl]-2-(4-ethylsulfonylphenyl)ethanamide | Authors: | Kallen, J. | Deposit date: | 2018-03-16 | Release date: | 2018-07-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Optimizing a Weakly Binding Fragment into a Potent ROR gamma t Inverse Agonist with Efficacy in an in Vivo Inflammation Model. J. Med. Chem., 61, 2018
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6G0P
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![BU of 6g0p by Molmil](/molmil-images/mine/6g0p) | Crystal Structure of the first bromodomain of human BRD4 in complex with an acetylated E2F1 peptide (K117ac/K120ac) | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, Transcription factor E2F1 | Authors: | Filippakopoulos, P, Picaud, S, Krojer, T, Sorrell, F, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C. | Deposit date: | 2018-03-19 | Release date: | 2018-11-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Interactome Rewiring Following Pharmacological Targeting of BET Bromodomains. Mol. Cell, 73, 2019
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4A0W
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![BU of 4a0w by Molmil](/molmil-images/mine/4a0w) | model built against symmetry-free cryo-EM map of TRiC-ADP-AlFx | Descriptor: | T-COMPLEX PROTEIN 1 SUBUNIT BETA | Authors: | Cong, Y, Schroder, G.F, Meyer, A.S, Jakana, J, Ma, B, Dougherty, M.T, Schmid, M.F, Reissmann, S, Levitt, M, Ludtke, S.L, Frydman, J, Chiu, W. | Deposit date: | 2011-09-13 | Release date: | 2012-02-15 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (13.9 Å) | Cite: | Symmetry-Free Cryo-Em Structures of the Chaperonin Tric Along its ATPase-Driven Conformational Cycle. Embo J., 31, 2012
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6Y08
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![BU of 6y08 by Molmil](/molmil-images/mine/6y08) | Mouse thymidylate synthase cocrystallized with dUMP and soaked in sulfamethoxazole | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Sulfamethoxazole, Thymidylate synthase | Authors: | Maj, P, Jarmula, A, Wilk, P, Weiss, M.S, Rode, W. | Deposit date: | 2020-02-06 | Release date: | 2021-02-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.297 Å) | Cite: | Mouse thymidylate synthase cocrystallized with dUMP and soaked in sulfamethoxazole To Be Published
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4AJJ
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![BU of 4ajj by Molmil](/molmil-images/mine/4ajj) | rat LDHA in complex with 2-((3,4-dimethoxyphenyl)methyl))propanedioic acid and N-(2-methyl-1,3-benzothiazol-6-yl)-3-ureido-propanamide | Descriptor: | 2-((3,4-DIMETHOXYPHENYL)METHYL))PROPANEDIOIC ACID, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Tucker, J.A, Brassington, C, Hassall, G, Vogtherr, M, Ward, R, Tart, J, Davies, G, Patel, J, Greenwood, R. | Deposit date: | 2012-02-16 | Release date: | 2012-03-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation J.Med.Chem., 55, 2012
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4A4O
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![BU of 4a4o by Molmil](/molmil-images/mine/4a4o) | CRYSTAL STRUCTURE OF POLO-LIKE KINASE 1 IN COMPLEX WITH A 2-(2-AMINO- PYRIMIDIN-4-YL)-1,5,6,7-TETRAHYDRO-PYRROLOPYRIDIN-4-ONE INHIBITOR | Descriptor: | 1-METHYL-2-(2-{[5-(4-METHYLPIPERAZIN-1-YL)-2-(TRIFLUOROMETHOXY)PHENYL]AMINO}PYRIMIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE, L(+)-TARTARIC ACID, SERINE/THREONINE-PROTEIN KINASE PLK1, ... | Authors: | Bertrand, J.A, Bossi, R.T. | Deposit date: | 2011-10-18 | Release date: | 2012-01-11 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | 5-(2-Amino-Pyrimidin-4-Yl)-1H-Pyrrole and 2-(2-Amino-Pyrimidin-4-Yl)-1,5,6,7-Tetrahydro-Pyrrolo[3,2-C]Pyridin-4-One Derivatives as New Classes of Selective and Orally Available Polo-Like Kinase 1 Inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
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4AJ1
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![BU of 4aj1 by Molmil](/molmil-images/mine/4aj1) | rat LDHA in complex with N-(2-(methylamino)-1,3-benzothiazol-6-yl) acetamide | Descriptor: | GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN, MALONATE ION, ... | Authors: | Tucker, J.A, Brassington, C, Hassall, G, Vogtherr, M, Ward, R, Tart, J, Davies, G. | Deposit date: | 2012-02-15 | Release date: | 2012-03-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation J.Med.Chem., 55, 2012
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7QE7
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![BU of 7qe7 by Molmil](/molmil-images/mine/7qe7) | High-resolution structure of the Anaphase-promoting complex/cyclosome (APC/C) bound to co-activator Cdh1 | Descriptor: | Anaphase-promoting complex subunit 1, Anaphase-promoting complex subunit 10, Anaphase-promoting complex subunit 11, ... | Authors: | Hoefler, A, Yu, J, Chang, L, Zhang, Z, Yang, J, Boland, A, Barford, D. | Deposit date: | 2021-12-01 | Release date: | 2022-01-26 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | High-resolution structure of the Anaphase-promoting complex (APC/C) bound to co-activator Cdh1 To Be Published
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4A11
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![BU of 4a11 by Molmil](/molmil-images/mine/4a11) | Structure of the hsDDB1-hsCSA complex | Descriptor: | DNA DAMAGE-BINDING PROTEIN 1, DNA EXCISION REPAIR PROTEIN ERCC-8 | Authors: | Bohm, K, Scrima, A, Fischer, E.S, Gut, H, Thomae, N.H. | Deposit date: | 2011-09-13 | Release date: | 2011-12-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.31 Å) | Cite: | The Molecular Basis of Crl4(Ddb2/Csa) Ubiquitin Ligase Architecture, Targeting, and Activation. Cell(Cambridge,Mass.), 147, 2011
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6YQZ
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![BU of 6yqz by Molmil](/molmil-images/mine/6yqz) | N-terminal domain of BRD4 with biphenyl-methyamino-dimethylpyridazinone | Descriptor: | 1,2-ETHANEDIOL, 2,4-dimethyl-5-[(2-phenylphenyl)methylamino]pyridazin-3-one, Bromodomain-containing protein 4 | Authors: | Chung, C. | Deposit date: | 2020-04-18 | Release date: | 2021-03-24 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Application of Atypical Acetyl-lysine Methyl Mimetics in the Development of Selective Inhibitors of the Bromodomain-Containing Protein 7 (BRD7)/Bromodomain-Containing Protein 9 (BRD9) Bromodomains. J.Med.Chem., 63, 2020
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6G6R
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![BU of 6g6r by Molmil](/molmil-images/mine/6g6r) | Human Methionine Adenosyltransferase II with SAMe and PPNP | Descriptor: | (DIPHOSPHONO)AMINOPHOSPHONIC ACID, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | Authors: | Panmanee, J, Antonyuk, S.V, Hasnain, S.S. | Deposit date: | 2018-04-02 | Release date: | 2019-04-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Control and regulation of S-Adenosylmethionine biosynthesis by the regulatory beta subunit and quinolone-based compounds. Febs J., 286, 2019
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4AT9
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7QXS
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![BU of 7qxs by Molmil](/molmil-images/mine/7qxs) | Cryo-EM structure of human telomerase-DNA-TPP1-POT1 complex (with POT1 side chains) | Descriptor: | Adrenocortical dysplasia homolog (Mouse), isoform CRA_a, Histone H2A, ... | Authors: | Sekne, Z, Ghanim, G.E, van Roon, A.M.M, Nguyen, T.H.D. | Deposit date: | 2022-01-27 | Release date: | 2022-03-02 | Last modified: | 2022-03-23 | Method: | ELECTRON MICROSCOPY (3.91 Å) | Cite: | Structural basis of human telomerase recruitment by TPP1-POT1. Science, 375, 2022
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7QXA
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![BU of 7qxa by Molmil](/molmil-images/mine/7qxa) | Cryo-EM map of human telomerase-DNA-TPP1 complex (sharpened) | Descriptor: | Adrenocortical dysplasia homolog (Mouse), isoform CRA_a, Histone H2A, ... | Authors: | Sekne, Z, Ghanim, G.E, van Roon, A.M.M, Nguyen, T.H.D. | Deposit date: | 2022-01-26 | Release date: | 2022-03-02 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural basis of human telomerase recruitment by TPP1-POT1. Science, 375, 2022
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7QWR
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![BU of 7qwr by Molmil](/molmil-images/mine/7qwr) | Structure of the ribosome-nascent chain containing an ER signal sequence in complex with NAC | Descriptor: | 28S rRNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ... | Authors: | Jomaa, A, Gamerdinger, M, Hsieh, H, Wallisch, A, Chandrasekaran, V, Ulusoy, Z, Scaiola, A, Hegde, R, Shan, S, Ban, N, Deuerling, E. | Deposit date: | 2022-01-25 | Release date: | 2022-03-09 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Mechanism of signal sequence handover from NAC to SRP on ribosomes during ER-protein targeting. Science, 375, 2022
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7QXB
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![BU of 7qxb by Molmil](/molmil-images/mine/7qxb) | Cryo-EM map of human telomerase-DNA-TPP1-POT1 complex (sharpened map) | Descriptor: | Adrenocortical dysplasia homolog (Mouse), isoform CRA_a, Histone H2A, ... | Authors: | Sekne, Z, Ghanim, G.E, van Roon, A.M.M, Nguyen, T.H.D. | Deposit date: | 2022-01-26 | Release date: | 2022-03-02 | Last modified: | 2022-03-23 | Method: | ELECTRON MICROSCOPY (3.91 Å) | Cite: | Structural basis of human telomerase recruitment by TPP1-POT1. Science, 375, 2022
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4BAY
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![BU of 4bay by Molmil](/molmil-images/mine/4bay) | Phosphomimetic mutant of LSD1-8a splicing variant in complex with CoREST | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, REST COREPRESSOR 1 | Authors: | Toffolo, E, Paganini, L, Rusconi, F, Tortorici, M, Pilotto, S, Verpelli, C, Tedeschi, G, Maffioli, E, Sala, C, Mattevi, A, Battaglioli, E. | Deposit date: | 2012-09-17 | Release date: | 2013-11-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Phosphorylation of Neuronal Lysine-Specific Demethylase 1Lsd1/Kdm1A Impairs Transcriptional Repression by Regulating Interaction with Corest and Histone Deacetylases Hdac1/2. J.Neurochem., 128, 2014
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7QWQ
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![BU of 7qwq by Molmil](/molmil-images/mine/7qwq) | Ternary complex of ribosome nascent chain with SRP and NAC | Descriptor: | 28S rRNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ... | Authors: | Jomaa, A, Gamerdinger, M, Hsieh, H, Wallisch, A, Chandrasekaran, V, Ulusoy, Z, Scaiola, A, Hegde, R, Shan, S, Ban, N, Deuerling, E. | Deposit date: | 2022-01-25 | Release date: | 2022-03-16 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (2.83 Å) | Cite: | Mechanism of signal sequence handover from NAC to SRP on ribosomes during ER-protein targeting. Science, 375, 2022
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6GJJ
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![BU of 6gjj by Molmil](/molmil-images/mine/6gjj) | Cyclophilin A complexed with tri-vector ligand 2. | Descriptor: | Peptidyl-prolyl cis-trans isomerase A, ethyl 2-[[(4-aminophenyl)methyl-propyl-carbamoyl]amino]ethanoate | Authors: | Georgiou, C, De Simone, A, Walkinshaw, M.D, Michel, J. | Deposit date: | 2018-05-16 | Release date: | 2018-11-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | A computationally designed binding mode flip leads to a novel class of potent tri-vector cyclophilin inhibitors. Chem Sci, 10, 2019
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6GNK
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![BU of 6gnk by Molmil](/molmil-images/mine/6gnk) | Exoenzyme S from Pseudomonas aeruginosa in complex with human 14-3-3 protein beta, trimeric crystal form bound to Carba-NAD | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 14-3-3 protein beta/alpha, CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Karlberg, T, Pinto, A.F, Hornyak, P, Thorsell, A.G, Nareoja, K, Schuler, H. | Deposit date: | 2018-05-31 | Release date: | 2018-09-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | 14-3-3 proteins activate Pseudomonas exotoxins-S and -T by chaperoning a hydrophobic surface. Nat Commun, 9, 2018
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7QQL
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![BU of 7qql by Molmil](/molmil-images/mine/7qql) | The PDZ domain of SNTG2 complexed with the phosphorylated PDZ-binding motif of RSK1 | Descriptor: | CALCIUM ION, GLYCEROL, Gamma-2-syntrophin,Annexin A2, ... | Authors: | Cousido-Siah, A, Trave, G, Gogl, G. | Deposit date: | 2022-01-10 | Release date: | 2022-04-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | A scalable strategy to solve structures of PDZ domains and their complexes. Acta Crystallogr D Struct Biol, 78, 2022
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4A13
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![BU of 4a13 by Molmil](/molmil-images/mine/4a13) | model refined against symmetry-free cryo-EM map of TRiC-ADP | Descriptor: | T-COMPLEX PROTEIN 1 SUBUNIT BETA | Authors: | Cong, Y, Schroder, G.F, Meyer, A.S, Jakana, J, Ma, B, Dougherty, M.T, Schmid, M.F, Reissmann, S, Levitt, M, Ludtke, S.L, Frydman, J, Chiu, W. | Deposit date: | 2011-09-13 | Release date: | 2012-02-15 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (11.3 Å) | Cite: | Symmetry-Free Cryo-Em Structures of the Chaperonin Tric Along its ATPase-Driven Conformational Cycle. Embo J., 31, 2012
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7QQM
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![BU of 7qqm by Molmil](/molmil-images/mine/7qqm) | The PDZ domain of LRRC7 fused with ANXA2 | Descriptor: | CALCIUM ION, GLYCEROL, Leucine-rich repeat-containing protein 7,Annexin A2 | Authors: | Cousido-Siah, A, Trave, G, Gogl, G. | Deposit date: | 2022-01-10 | Release date: | 2022-04-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A scalable strategy to solve structures of PDZ domains and their complexes. Acta Crystallogr D Struct Biol, 78, 2022
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