4UUP
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![BU of 4uup by Molmil](/molmil-images/mine/4uup) | Reconstructed ancestral trichomonad malate dehydrogenase in complex with NADH, SO4, and PO4 | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, MALATE DEHYDROGENASE, PHOSPHATE ION, ... | Authors: | Steindel, P.A, Chen, E.H, Theobald, D.L. | Deposit date: | 2014-07-29 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.543 Å) | Cite: | Gradual Neofunctionalization in the Convergent Evolution of Trichomonad Lactate and Malate Dehydrogenases. Protein Sci., 25, 2016
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5MCS
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![BU of 5mcs by Molmil](/molmil-images/mine/5mcs) | Solution structure and dynamics of the outer membrane cytochrome OmcF from Geobacter sulfurreducens | Descriptor: | HEME C, Lipoprotein cytochrome c, 1 heme-binding site | Authors: | Dantas, J.M, Silva, M.A, Morgado, L, Pantoja-Uceda, D, Turner, D.L, Bruix, M, Salgueiro, C.A. | Deposit date: | 2016-11-10 | Release date: | 2017-04-12 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Solution structure and dynamics of the outer membrane cytochrome OmcF from Geobacter sulfurreducens. Biochim. Biophys. Acta, 1858, 2017
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4V99
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5N82
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![BU of 5n82 by Molmil](/molmil-images/mine/5n82) | Crystal structure of an engineered TycA variant in complex with an beta-Phe-AMP analog | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SULFATE ION, Tyrocidine synthase 1, ... | Authors: | Niquille, D.L, Hansen, D.L, Mori, T, Fercher, D, Kries, H, Hilvert, D. | Deposit date: | 2017-02-22 | Release date: | 2017-12-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.708 Å) | Cite: | Nonribosomal biosynthesis of backbone-modified peptides. Nat Chem, 10, 2018
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2WEY
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![BU of 2wey by Molmil](/molmil-images/mine/2wey) | Human PDE-papaverine complex obtained by ligand soaking of cross- linked protein crystals | Descriptor: | 1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXYISOQUINOLINE, CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE, ... | Authors: | Andersen, O.A, Schonfeld, D.L, Toogood-Johnson, I, Felicetti, B, Albrecht, C, Fryatt, T, Whittaker, M, Hallett, D, Barker, J. | Deposit date: | 2009-04-02 | Release date: | 2009-07-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Cross-Linking of Protein Crystals as an Aid in the Generation of Binary Protein-Ligand Crystal Complexes, Exemplified by the Human Pde10A-Papaverine Structure. Acta Crystallogr.,Sect.D, 65, 2009
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4UUM
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4UUN
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6BX4
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3ZRC
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![BU of 3zrc by Molmil](/molmil-images/mine/3zrc) | pVHL54-213-EloB-EloC complex (4R)-4-HYDROXY-1-[(3-METHYLISOXAZOL-5-YL)ACETYL]-N-[4-(1,3-OXAZOL-5-YL)BENZYL]-L-PROLINAMIDE bound | Descriptor: | (4R)-4-HYDROXY-1-[(3-METHYLISOXAZOL-5-YL)ACETYL]-N-[4-(1,3-OXAZOL-5-YL)BENZYL]-L-PROLINAMIDE, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 1, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 2, ... | Authors: | Van Molle, I, Buckley, D.L, Crews, C.M, Ciulli, A. | Deposit date: | 2011-06-15 | Release date: | 2012-03-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Targeting the Von Hippel-Lindau E3 Ubiquitin Ligase Using Small Molecules to Disrupt the Vhl/Hif-1Alpha Interaction J.Am.Chem.Soc., 134, 2012
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3ZTD
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![BU of 3ztd by Molmil](/molmil-images/mine/3ztd) | pVHL54-213-EloB-EloC complex _ methyl 4-(((2S,4R)-4-hydroxy-1-(2-(3- methylisoxazol-5-yl)acetyl)pyrrolidine-2-carboxamido)methyl)benzoate | Descriptor: | METHYL 4-[({(4R)-4-HYDROXY-1-[(3-METHYLISOXAZOL-5-YL)ACETYL]-L-PROLYL}AMINO)METHYL]BENZOATE, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 1, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 2, ... | Authors: | VanMolle, I, Buckley, D.L, Crews, C.M, Ciulli, A. | Deposit date: | 2011-07-07 | Release date: | 2012-07-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Dissecting Fragment-Based Lead Discovery at the Von Hippel-Lindau Protein:Hypoxia Inducible Factor 1Alpha Protein-Protein Interface. Chem.Biol., 19, 2012
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3ZTC
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![BU of 3ztc by Molmil](/molmil-images/mine/3ztc) | pVHL54-213-EloB-EloC complex _ (2S,4R)-N-((1,1'-biphenyl)-4-ylmethyl)- 4-hydroxy-1-(2-(3-methylisoxazol-5-yl)acetyl)pyrrolidine-2- carboxamide | Descriptor: | (4R)-N-(BIPHENYL-4-YLMETHYL)-4-HYDROXY-1-[(3-METHYLISOXAZOL-5-YL)ACETYL]-L-PROLINAMIDE, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 1, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 2, ... | Authors: | Van Molle, I, Buckley, D.L, Crews, C.M, Ciulli, A. | Deposit date: | 2011-07-06 | Release date: | 2012-07-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Dissecting Fragment-Based Lead Discovery at the Von Hippel-Lindau Protein:Hypoxia Inducible Factor 1Alpha Protein-Protein Interface. Chem.Biol., 19, 2012
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2IYN
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![BU of 2iyn by Molmil](/molmil-images/mine/2iyn) | The co-factor-induced pre-active conformation in PhoB | Descriptor: | MAGNESIUM ION, PHOSPHATE REGULON TRANSCRIPTIONAL REGULATORY PROTEIN PHOB | Authors: | Sola, M, Drew, D.L, Blanco, A.G, Gomis-Ruth, F.X, Coll, M. | Deposit date: | 2006-07-19 | Release date: | 2006-08-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | The Cofactor-Induced Pre-Active Conformation in Phob. Acta Crystallogr.,Sect.D, 62, 2006
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2J3H
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![BU of 2j3h by Molmil](/molmil-images/mine/2j3h) | Crystal structure of Arabidopsis thaliana Double Bond Reductase (AT5G16970)-Apo form | Descriptor: | NADP-DEPENDENT OXIDOREDUCTASE P1 | Authors: | Youn, B, Kim, S.J, Moinuddin, S.G, Lee, C, Bedgar, D.L, Harper, A.R, Davin, L.B, Lewis, N.G, Kang, C. | Deposit date: | 2006-08-21 | Release date: | 2006-10-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Mechanistic and Structural Studies of Apoform, Binary, and Ternary Complexes of the Arabidopsis Alkenal Double Bond Reductase at5G16970. J.Biol.Chem., 281, 2006
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2J3K
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![BU of 2j3k by Molmil](/molmil-images/mine/2j3k) | Crystal structure of Arabidopsis thaliana Double Bond Reductase (AT5G16970)-Ternary Complex II | Descriptor: | (2E,4R)-4-HYDROXYNON-2-ENAL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADPH-dependent oxidoreductase 2-alkenal reductase | Authors: | Youn, B, Kim, S.J, Moinuddin, S.G, Lee, C, Bedgar, D.L, Harper, A.R, Davin, L.B, Lewis, N.G, Kang, C. | Deposit date: | 2006-08-22 | Release date: | 2006-10-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Mechanistic and structural studies of apoform, binary, and ternary complexes of the Arabidopsis alkenal double bond reductase At5g16970. J. Biol. Chem., 281, 2006
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2J3J
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![BU of 2j3j by Molmil](/molmil-images/mine/2j3j) | Crystal structure of Arabidopsis thaliana Double Bond Reductase (AT5G16970)-Ternary Complex I | Descriptor: | 4'-HYDROXYCINNAMIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADPH-dependent oxidoreductase 2-alkenal reductase | Authors: | Youn, B, Kim, S.J, Moinuddin, S.G, Lee, C, Bedgar, D.L, Harper, A.R, Davin, L.B, Lewis, N.G, Kang, C. | Deposit date: | 2006-08-21 | Release date: | 2006-10-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Mechanistic and structural studies of apoform, binary, and ternary complexes of the Arabidopsis alkenal double bond reductase At5g16970. J. Biol. Chem., 281, 2006
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2J3I
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![BU of 2j3i by Molmil](/molmil-images/mine/2j3i) | Crystal structure of Arabidopsis thaliana Double Bond Reductase (AT5G16970)-Binary Complex | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADP-DEPENDENT OXIDOREDUCTASE P1 | Authors: | Youn, B, Kim, S.J, Moinuddin, S.G, Lee, C, Bedgar, D.L, Harper, A.R, Davin, L.B, Lewis, N.G, Kang, C. | Deposit date: | 2006-08-21 | Release date: | 2006-10-05 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Mechanistic and Structural Studies of Apoform, Binary, and Ternary Complexes of the Arabidopsis Alkenal Double Bond Reductase at5G16970. J.Biol.Chem., 281, 2006
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1TWM
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![BU of 1twm by Molmil](/molmil-images/mine/1twm) | Interleukin-1 Beta Mutant F146Y | Descriptor: | Interleukin-1 beta | Authors: | Adamek, D.H, Capsar, D.L. | Deposit date: | 2004-07-01 | Release date: | 2004-12-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Structural and energetic consequences of mutations in a solvated hydrophobic cavity. J.Mol.Biol., 346, 2005
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1TWE
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![BU of 1twe by Molmil](/molmil-images/mine/1twe) | INTERLEUKIN 1 BETA MUTANT F101Y | Descriptor: | Interleukin-1 beta | Authors: | Adamek, D.H, Capsar, D.L. | Deposit date: | 2004-06-30 | Release date: | 2004-12-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and energetic consequences of mutations in a solvated hydrophobic cavity. J.Mol.Biol., 346, 2005
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1JKX
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![BU of 1jkx by Molmil](/molmil-images/mine/1jkx) | Unexpected formation of an epoxide-derived multisubstrate adduct inhibitor on the active site of GAR transformylase | Descriptor: | N-[5'-O-PHOSPHONO-RIBOFURANOSYL]-2-[2-HYDROXY-2-[4-[GLUTAMIC ACID]-N-CARBONYLPHENYL]-3-[2-AMINO-4-HYDROXY-QUINAZOLIN-6-YL]-PROPANYLAMINO]-ACETAMIDE, PHOSPHORIBOSYLGLYCINAMIDE FORMYLTRANSFERASE | Authors: | Greasley, S.E, Marsilje, T.H, Cai, H, Baker, S, Benkovic, S.J, Boger, D.L, Wilson, I.A. | Deposit date: | 2001-07-13 | Release date: | 2001-11-30 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Unexpected formation of an epoxide-derived multisubstrate adduct inhibitor on the active site of GAR transformylase. Biochemistry, 40, 2001
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1K4J
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![BU of 1k4j by Molmil](/molmil-images/mine/1k4j) | Crystal Structure of the Acyl-homoserinelactone Synthase EsaI Complexed with Rhenate | Descriptor: | PERRHENATE, acyl-homoserinelactone synthase EsaI | Authors: | Watson, W.T, Minogue, T.D, Val, D.L, Beck von Bodman, S, Churchill, M.E.A. | Deposit date: | 2001-10-08 | Release date: | 2002-04-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis and specificity of acyl-homoserine lactone signal production in bacterial quorum sensing. Mol.Cell, 9, 2002
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6JCZ
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![BU of 6jcz by Molmil](/molmil-images/mine/6jcz) | Cryo-EM Structure of Sulfolobus solfataricus ketol-acid reductoisomerase (Sso-KARI) in complex with Mg2+, NADPH, and CPD at pH7.5 | Descriptor: | MAGNESIUM ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative ketol-acid reductoisomerase 2, ... | Authors: | Chen, C.Y, Chang, Y.C, Lin, K.F, Huang, C.H, Lin, B.L, Ko, T.P, Hsieh, D.L, Tsai, M.D. | Deposit date: | 2019-01-30 | Release date: | 2019-04-17 | Last modified: | 2019-05-01 | Method: | ELECTRON MICROSCOPY (3.35 Å) | Cite: | Use of Cryo-EM To Uncover Structural Bases of pH Effect and Cofactor Bispecificity of Ketol-Acid Reductoisomerase. J. Am. Chem. Soc., 141, 2019
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6JCV
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![BU of 6jcv by Molmil](/molmil-images/mine/6jcv) | Cryo-EM structure of Sulfolobus solfataricus ketol-acid reductoisomerase (Sso-KARI) with Mg2+ at pH7.5 | Descriptor: | MAGNESIUM ION, Putative ketol-acid reductoisomerase 2 | Authors: | Chen, C.Y, Chang, Y.C, Lin, K.F, Huang, C.H, Lin, B.L, Ko, T.P, Hsieh, D.L, Tsai, M.D. | Deposit date: | 2019-01-30 | Release date: | 2019-04-17 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.92 Å) | Cite: | Use of Cryo-EM To Uncover Structural Bases of pH Effect and Cofactor Bispecificity of Ketol-Acid Reductoisomerase. J. Am. Chem. Soc., 141, 2019
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4LTQ
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![BU of 4ltq by Molmil](/molmil-images/mine/4ltq) | Bacterial sodium channel in low calcium, P42 space group | Descriptor: | Ion transport protein | Authors: | Shaya, D, Findeisen, F, Abderemane-Ali, F, Arrigoni, C, Wong, S, Reddy Nurva, S, Loussouarn, G, Minor, D.L. | Deposit date: | 2013-07-23 | Release date: | 2013-10-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (5.5 Å) | Cite: | Structure of a prokaryotic sodium channel pore reveals essential gating elements and an outer ion binding site common to eukaryotic channels. J.Mol.Biol., 426, 2014
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4M65
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![BU of 4m65 by Molmil](/molmil-images/mine/4m65) | In situ thermolysin crystallized on a MiTeGen micromesh with asparagine ligand | Descriptor: | 1,2-ETHANEDIOL, ASPARAGINE, CALCIUM ION, ... | Authors: | Yin, X, Scalia, A, Leroy, L, Cuttitta, C.M, Polizzo, G.M, Ericson, D.L, Roessler, C.G, Campos, O, Agarwal, R, Allaire, M, Orville, A.M, Jackimowicz, R, Ma, M.Y, Sweet, R.M, Soares, A.S. | Deposit date: | 2013-08-08 | Release date: | 2013-10-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Hitting the target: fragment screening with acoustic in situ
co-crystallization of proteins plus fragment libraries on
pin-mounted data-collection micromeshes Acta Crystallogr.,Sect.D, D70
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4MLM
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![BU of 4mlm by Molmil](/molmil-images/mine/4mlm) | Crystal Structure of PhnZ from uncultured bacterium HF130_AEPn_1 | Descriptor: | FE (III) ION, GLYCEROL, L(+)-TARTARIC ACID, ... | Authors: | van Staalduinen, L.M, McSorley, F.R, Zechel, D.L, Jia, Z, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI) | Deposit date: | 2013-09-06 | Release date: | 2014-04-16 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of PhnZ in complex with substrate reveals a di-iron oxygenase mechanism for catabolism of organophosphonates. Proc.Natl.Acad.Sci.USA, 111, 2014
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