6FSM
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![BU of 6fsm by Molmil](/molmil-images/mine/6fsm) | Crystal structure of TCE-treated Thermolysin | Descriptor: | CALCIUM ION, GLYCEROL, LYSINE, ... | Authors: | Pichlo, C, Baumann, U. | Deposit date: | 2018-02-19 | Release date: | 2018-05-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Improved protein-crystal identification by using 2,2,2-trichloroethanol as a fluorescence enhancer. Acta Crystallogr F Struct Biol Commun, 74, 2018
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2KIE
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![BU of 2kie by Molmil](/molmil-images/mine/2kie) | A PH domain within OCRL bridges clathrin mediated membrane trafficking to phosphoinositide metabolis | Descriptor: | Inositol polyphosphate 5-phosphatase OCRL-1 | Authors: | Mao, Y, Balkin, D.M, Zoncu, R, Erdmann, K, Tomasini, L, Hu, F, Jin, M.M, Hodsdon, M.E, De Camilli, P. | Deposit date: | 2009-05-03 | Release date: | 2009-07-21 | Last modified: | 2022-03-16 | Method: | SOLUTION NMR | Cite: | A PH domain within OCRL bridges clathrin-mediated membrane trafficking to phosphoinositide metabolism Embo J., 28, 2009
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4C46
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![BU of 4c46 by Molmil](/molmil-images/mine/4c46) | ANDREI-N-LVPAS fused to GCN4 adaptors | Descriptor: | BROMIDE ION, GENERAL CONTROL PROTEIN GCN4 | Authors: | Albrecht, R, Alva, V, Ammelburg, M, Baer, K, Basina, E, Boichenko, I, Bonhoeffer, F, Braun, V, Chaubey, M, Chauhan, N, Chellamuthu, V.R, Coles, M, Deiss, S, Ewers, C.P, Forouzan, D, Fuchs, A, Groemping, Y, Hartmann, M.D, Hernandez Alvarez, B, Jeganantham, A, Kalev, I, Koenninger, U, Koiwai, K, Kopec, K.O, Korycinski, M, Laudenbach, B, Lehmann, K, Leo, J.C, Linke, D, Marialke, J, Martin, J, Mechelke, M, Michalik, M, Noll, A, Patzer, S.I, Scharfenberg, F, Schueckel, M, Shahid, S.A, Sulz, E, Ursinus, A, Wuertenberger, S, Zhu, H. | Deposit date: | 2013-08-30 | Release date: | 2013-09-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Your Personalized Protein Structure: Andrei N. Lupas Fused to GCN4 Adaptors. J.Struct.Biol., 186, 2014
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2PAN
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![BU of 2pan by Molmil](/molmil-images/mine/2pan) | Crystal structure of E. coli glyoxylate carboligase | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, FLAVIN-ADENINE DINUCLEOTIDE, Glyoxylate carboligase, ... | Authors: | Kaplun, A, Chipman, D.M, Barak, Z, Vyazmensky, M, Shaanan, B. | Deposit date: | 2007-03-27 | Release date: | 2008-01-01 | Last modified: | 2021-08-04 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Glyoxylate carboligase lacks the canonical active site glutamate of thiamine-dependent enzymes. Nat.Chem.Biol., 4, 2008
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2PKS
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![BU of 2pks by Molmil](/molmil-images/mine/2pks) | Thrombin in complex with inhibitor | Descriptor: | 4-({[4-(3-METHYLBENZOYL)PYRIDIN-2-YL]AMINO}METHYL)BENZENECARBOXIMIDAMIDE, Hirudin, SODIUM ION, ... | Authors: | Xue, Y. | Deposit date: | 2007-04-18 | Release date: | 2008-04-22 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Design, synthesis and biological evaluation of thrombin inhibitors based on a pyridine scaffold. Org.Biomol.Chem., 5, 2007
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2OZL
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![BU of 2ozl by Molmil](/molmil-images/mine/2ozl) | Human pyruvate dehydrogenase S264E variant | Descriptor: | MAGNESIUM ION, POTASSIUM ION, Pyruvate dehydrogenase E1 component alpha subunit, ... | Authors: | Ciszak, E.M, Dominiak, P.M, Patel, M.S, Korotchkina, L.G. | Deposit date: | 2007-02-26 | Release date: | 2007-05-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Phosphorylation of Serine 264 Impedes Active Site Accessibility in the E1 Component of the Human Pyruvate Dehydrogenase Multienzyme Complex Biochemistry, 46, 2007
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1HDL
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![BU of 1hdl by Molmil](/molmil-images/mine/1hdl) | LEKTI domain one | Descriptor: | SERINE PROTEINASE INHIBITOR LEKTI | Authors: | Lauber, T, Roesch, P, Marx, U.C. | Deposit date: | 2000-11-16 | Release date: | 2001-11-15 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Homologous Proteins with Different Folds: The Three-Dimensional Structures of Domains 1 and 6 of the Multiple Kazal-Type Inhibitor Lekti J.Mol.Biol., 328, 2003
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1H0Z
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![BU of 1h0z by Molmil](/molmil-images/mine/1h0z) | LEKTI domain six | Descriptor: | SERINE PROTEASE INHIBITOR KAZAL-TYPE 5, CONTAINS HEMOFILTRATE PEPTIDE HF6478, HEMOFILTRATE PEPTIDE HF7665 | Authors: | Lauber, T, Roesch, P, Marx, U.C. | Deposit date: | 2002-07-01 | Release date: | 2003-06-26 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Homologous Proteins with Different Folds: The Three-Dimensional Structures of Domains 1 and 6 of the Multiple Kazal-Type Inhibitor Lekti J.Mol.Biol., 328, 2003
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7LG6
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![BU of 7lg6 by Molmil](/molmil-images/mine/7lg6) | BG505 SOSIP.v5.2 in complex with VRC40.01 and RM19R Fabs | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ... | Authors: | Cottrell, C.A, Torres, J.L, Wu, N.R, Ward, A.B. | Deposit date: | 2021-01-19 | Release date: | 2021-09-15 | Last modified: | 2021-11-17 | Method: | ELECTRON MICROSCOPY (3.28 Å) | Cite: | Structural basis of glycan276-dependent recognition by HIV-1 broadly neutralizing antibodies. Cell Rep, 37, 2021
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6Q53
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![BU of 6q53 by Molmil](/molmil-images/mine/6q53) | |
6QU7
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![BU of 6qu7 by Molmil](/molmil-images/mine/6qu7) | Crystal structure of human DHODH in complex with BAY 2402234 | Descriptor: | ACETATE ION, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | Authors: | Friberg, A, Gradl, S. | Deposit date: | 2019-02-26 | Release date: | 2019-06-05 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | The novel dihydroorotate dehydrogenase (DHODH) inhibitor BAY 2402234 triggers differentiation and is effective in the treatment of myeloid malignancies. Leukemia, 33, 2019
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7Q1B
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![BU of 7q1b by Molmil](/molmil-images/mine/7q1b) | Crystal structure of Trypanosoma cruzi histone deacetylase DAC2 complexed with Quisinostat | Descriptor: | 2-[4-[[(1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]-~{N}-oxidanyl-pyrimidine-5-carboxamide, GLYCEROL, Histone deacetylase DAC2, ... | Authors: | Marek, M, Ramos-Morales, E, Romier, C. | Deposit date: | 2021-10-18 | Release date: | 2021-12-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Species-selective targeting of pathogens revealed by the atypical structure and active site of Trypanosoma cruzi histone deacetylase DAC2. Cell Rep, 37, 2021
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7Q1C
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![BU of 7q1c by Molmil](/molmil-images/mine/7q1c) | Crystal structure of Trypanosoma cruzi histone deacetylase DAC2 complexed with a hydroxamate inhibitor | Descriptor: | (E)-3-dibenzofuran-4-yl-N-oxidanyl-prop-2-enamide, Histone deacetylase DAC2, POTASSIUM ION, ... | Authors: | Ramos-Morales, E, Marek, M, Romier, C. | Deposit date: | 2021-10-18 | Release date: | 2021-12-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Species-selective targeting of pathogens revealed by the atypical structure and active site of Trypanosoma cruzi histone deacetylase DAC2. Cell Rep, 37, 2021
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5M96
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![BU of 5m96 by Molmil](/molmil-images/mine/5m96) | |
7QDA
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![BU of 7qda by Molmil](/molmil-images/mine/7qda) | Crystal structure of CalpL | Descriptor: | CalpL, SULFATE ION, TETRAETHYLENE GLYCOL, ... | Authors: | Schneberger, N, Hagelueken, G. | Deposit date: | 2021-11-26 | Release date: | 2022-11-16 | Last modified: | 2023-02-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Antiviral signalling by a cyclic nucleotide activated CRISPR protease. Nature, 614, 2023
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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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6FZU
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![BU of 6fzu by Molmil](/molmil-images/mine/6fzu) | |
6G05
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![BU of 6g05 by Molmil](/molmil-images/mine/6g05) | RORGT (264-518;C455S) IN COMPLEX WITH INVERSE AGONIST "CPD-2" AND RIP140 PEPTIDE AT 1.90A | Descriptor: | 2-(4-ethylsulfonylphenyl)-~{N}-[4-phenyl-5-(phenylcarbonyl)-1,3-thiazol-2-yl]ethanamide, Nuclear receptor ROR-gamma, Nuclear receptor-interacting protein 1 | Authors: | Kallen, J. | Deposit date: | 2018-03-16 | Release date: | 2018-07-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 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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5HBJ
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![BU of 5hbj by Molmil](/molmil-images/mine/5hbj) | CDK8-CYCC IN COMPLEX WITH 8-[2-Amino-3-chloro-5-(1-methyl-1H-indazol-5-yl)-pyridin-4-yl]-2,8-diaza-spiro[4.5]decan-1-one | Descriptor: | 1,2-ETHANEDIOL, 8-[2-azanyl-3-chloranyl-5-(1-methylindazol-5-yl)pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one, Cyclin-C, ... | Authors: | Musil, D, Blagg, J, Mallinger, A. | Deposit date: | 2015-12-31 | Release date: | 2016-02-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Discovery of Potent, Selective, and Orally Bioavailable Small-Molecule Modulators of the Mediator Complex-Associated Kinases CDK8 and CDK19. J.Med.Chem., 59, 2016
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4N78
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5K57
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![BU of 5k57 by Molmil](/molmil-images/mine/5k57) | HDD domain from human Ddi2 | Descriptor: | Protein DDI1 homolog 2 | Authors: | Veverka, V. | Deposit date: | 2016-05-23 | Release date: | 2016-08-10 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Human DNA-Damage-Inducible 2 Protein Is Structurally and Functionally Distinct from Its Yeast Ortholog. Sci Rep, 6, 2016
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4MZX
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![BU of 4mzx by Molmil](/molmil-images/mine/4mzx) | Crystal Structure of Benzoylformate Decarboxylase Mutant T377L/A460Y | Descriptor: | 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Benzoylformate decarboxlyase, CALCIUM ION, ... | Authors: | Andrews, F.H, McLeish, M.J. | Deposit date: | 2013-09-30 | Release date: | 2015-04-01 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.558 Å) | Cite: | Mechanistic and structural insight to an evolved benzoylformate decarboxylase with enhanced
activity towards pyruvate To be Published
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2X24
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![BU of 2x24 by Molmil](/molmil-images/mine/2x24) | bovine ACC2 CT domain in complex with inhibitor | Descriptor: | ACETYL-COA CARBOXYLASE, TERT-BUTYL [(TRANS-4-{[({2-[4-(AMINOMETHYL)PHENYL]QUINOLIN-4-YL}CARBONYL)AMINO]METHYL}CYCLOHEXYL)METHYL]CARBAMATE | Authors: | Oster, L, Folmer, R, Blaho, S, Wiberg, F, Hallberg, K. | Deposit date: | 2010-01-11 | Release date: | 2011-01-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Design of Small Molecule Inhibitors of Acetyl-Coa Carboxylase 1 and 2 Showing Reduction of Hepatic Malonyl-Coa Levels in Vivo in Obese Zucker Rats. Bioorg.Med.Chem., 19, 2011
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8PCW
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![BU of 8pcw by Molmil](/molmil-images/mine/8pcw) | Structure of Csm6' from Streptococcus thermophilus | Descriptor: | CRISPR system endoribonuclease Csm6' | Authors: | McQuarrie, S.J, Athukoralage, J.S, McMahon, S.A, Graham, S, Ackerman, K, Bode, B.E, White, M.F, Gloster, T.M. | Deposit date: | 2023-06-11 | Release date: | 2023-10-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.54 Å) | Cite: | Activation of Csm6 ribonuclease by cyclic nucleotide binding: in an emergency, twist to open. Nucleic Acids Res., 51, 2023
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6S0Y
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![BU of 6s0y by Molmil](/molmil-images/mine/6s0y) | Nanobody targeting influenza A matrix protein 2 ectodomain (M2e) | Descriptor: | M2e-VHH-23m, Matrix protein 2 | Authors: | Van Molle, I, De Vlieger, D, Schepens, B, Remaut, H, Saelens, X. | Deposit date: | 2019-06-18 | Release date: | 2020-01-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Selective Engagement of Fc gamma RIV by a M2e-Specific Single Domain Antibody Construct Protects Against Influenza A Virus Infection. Front Immunol, 10, 2019
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