4F7I
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![BU of 4f7i by Molmil](/molmil-images/mine/4f7i) | Structure of Isopropylmalate dehydrogenase from Thermus thermophilus in complex with IPM, Mn and NADH | Descriptor: | 3-ISOPROPYLMALIC ACID, 3-isopropylmalate dehydrogenase, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, ... | Authors: | Pallo, A, Graczer, E, Zavodszky, P, Weiss, M.S, Vas, M. | Deposit date: | 2012-05-16 | Release date: | 2012-06-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and energetic basis of isopropylmalate dehydrogenase enzyme catalysis. Febs J., 281, 2014
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5X20
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![BU of 5x20 by Molmil](/molmil-images/mine/5x20) | The ternary structure of D-mandelate dehydrogenase with NADH and anilino(oxo)acetate | Descriptor: | 2-dehydropantoate 2-reductase, 2-oxidanylidene-2-phenylazanyl-ethanoic acid, GLYCEROL, ... | Authors: | Furukawa, N, Miyanaga, A, Nakajima, M, Taguchi, H. | Deposit date: | 2017-01-29 | Release date: | 2017-04-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The ternary complex structure of d-mandelate dehydrogenase with NADH and anilino(oxo)acetate. Biochem. Biophys. Res. Commun., 486, 2017
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1V9D
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![BU of 1v9d by Molmil](/molmil-images/mine/1v9d) | Crystal structure of the core FH2 domain of mouse mDia1 | Descriptor: | Diaphanous protein homolog 1, SULFATE ION | Authors: | Shimada, A, Nyitrai, M, Vetter, I.R, Kuhlmann, D, Bugyi, B, Narumiya, S, Geeves, M.A, Wittinghofer, A. | Deposit date: | 2004-01-24 | Release date: | 2004-03-09 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The core FH2 domain of diaphanous-related formins is an elongated actin binding protein that inhibits polymerization. Mol.Cell, 13, 2004
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5WXE
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![BU of 5wxe by Molmil](/molmil-images/mine/5wxe) | Highly disulfide-constrained antifeedant jasmintides from Jasminum sambac flowers | Descriptor: | jasmintide js3 | Authors: | Kumari, G, Wong, K.H, Serra, A, Shin, J, Yoon, H.S, Sze, S.K, James, P.T. | Deposit date: | 2017-01-07 | Release date: | 2018-01-17 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Highly disulfide-constrained antifeedant jasmintides from Jasminum sambac flowers To Be Published
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5X1X
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2D24
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![BU of 2d24 by Molmil](/molmil-images/mine/2d24) | Crystal structure of ES complex of catalytic-site mutant xylanase from Streptomyces olivaceoviridis E-86 | Descriptor: | ENDO-1,4-BETA-D-XYLANASE, GLYCEROL, SULFATE ION, ... | Authors: | Suzuki, R, Kuno, A, Fujimoto, Z, Ito, S, Kawahara, S.I, Kaneko, S, Hasegawa, T, Taira, K. | Deposit date: | 2005-09-02 | Release date: | 2006-10-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystallographic snapshots of an entire reaction cycle for a retaining xylanase from Streptomyces olivaceoviridis E-86 J.Biochem., 146, 2009
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4FEV
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![BU of 4fev by Molmil](/molmil-images/mine/4fev) | Crystal structure of the aminoglycoside phosphotransferase APH(3')-Ia, with substrate kanamycin and small molecule inhibitor pyrazolopyrimidine PP1 | Descriptor: | 1-TER-BUTYL-3-P-TOLYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE, ACETATE ION, Aminoglycoside 3'-phosphotransferase AphA1-IAB, ... | Authors: | Stogios, P.J, Evdokimova, E, Wawrzak, Z, Minasov, G, Egorova, O, Di Leo, R, Shakya, T, Spanogiannopoulos, P, Wright, G.D, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2012-05-30 | Release date: | 2012-06-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Structure-guided optimization of protein kinase inhibitors reverses aminoglycoside antibiotic resistance. Biochem.J., 454, 2013
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5X3J
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![BU of 5x3j by Molmil](/molmil-images/mine/5x3j) | Kfla1895 D451A mutant in complex with cyclobis-(1->6)-alpha-nigerosyl | Descriptor: | Cyclic alpha-D-glucopyranose-(1-3)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-3)-alpha-D-glucopyranose, GLYCEROL, Glycoside hydrolase family 31, ... | Authors: | Tanaka, Y, Chen, M, Tagami, T, Yao, M, Kimura, A. | Deposit date: | 2017-02-06 | Release date: | 2018-02-07 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Glycoside hydrolase mutant in complex with substrate To Be Published
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5X3I
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![BU of 5x3i by Molmil](/molmil-images/mine/5x3i) | Kfla1895 D451A mutant | Descriptor: | GLYCEROL, Glycoside hydrolase family 31, SULFATE ION | Authors: | Tanaka, Y, Chen, M, Tagami, T, Yao, M, Kimura, A. | Deposit date: | 2017-02-06 | Release date: | 2018-02-07 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Glycoside hydrolase mutant To Be Published
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1U7J
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![BU of 1u7j by Molmil](/molmil-images/mine/1u7j) | Solution structure of a diiron protein model | Descriptor: | Four-helix bundle model, ZINC ION | Authors: | Maglio, O, Nastri, F, Calhoun, J.R, Lahr, S, Pavone, V, DeGrado, W.F, Lombardi, A. | Deposit date: | 2004-08-04 | Release date: | 2005-03-01 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Analysis and Design of Turns in alpha-Helical Hairpins J.Mol.Biol., 346, 2005
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5X8U
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![BU of 5x8u by Molmil](/molmil-images/mine/5x8u) | Crystal Structure of the wild Human ROR gamma Ligand Binding Domain. | Descriptor: | Nuclear receptor ROR-gamma, Nuclear receptor coactivator 1 | Authors: | Noguchi, M, Nomura, A, Murase, K, Doi, S, Yamaguchi, K, Adachi, T. | Deposit date: | 2017-03-03 | Release date: | 2017-06-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Ternary complex of human ROR gamma ligand-binding domain, inverse agonist and SMRT peptide shows a unique mechanism of corepressor recruitment Genes Cells, 22, 2017
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5X9H
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6DGE
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![BU of 6dge by Molmil](/molmil-images/mine/6dge) | Crystal structure of the dimethylarginine dimethylaminohydrolase adduct with N5-(1-imino-2-chloroethyl)-L-lysine | Descriptor: | N(G),N(G)-dimethylarginine dimethylaminohydrolase 1, N~6~-[(1E)-2-chloroethanimidoyl]-L-lysine | Authors: | Monzingo, A.F, Burstein-Teitelbaum, G, Er, J.A.V, Tuley, A, Fast, W. | Deposit date: | 2018-05-17 | Release date: | 2018-07-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Dissection, Optimization, and Structural Analysis of a Covalent Irreversible DDAH1 Inhibitor. Biochemistry, 57, 2018
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5X6N
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![BU of 5x6n by Molmil](/molmil-images/mine/5x6n) | Structure of P. Knowlesi DBL Domain Capable of binding Human Duffy Antigen | Descriptor: | Duffy binding protein, SULFATE ION, octyl beta-D-glucopyranoside | Authors: | Singh, S.K, Hora, R, Belrhali, H, Chitnis, C, Sharma, A. | Deposit date: | 2017-02-22 | Release date: | 2017-03-08 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural basis for Duffy recognition by the malaria parasite Duffy-binding-like domain Nature, 439, 2006
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1U4R
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![BU of 1u4r by Molmil](/molmil-images/mine/1u4r) | Crystal Structure of human RANTES mutant 44-AANA-47 | Descriptor: | SULFATE ION, Small inducible cytokine A5 | Authors: | Shaw, J.P, Johnson, Z, Borlat, F, Zwahlen, C, Kungl, A, Roulin, K, Harrenga, A, Wells, T.N.C, Proudfoot, A.E.I. | Deposit date: | 2004-07-26 | Release date: | 2004-11-09 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The X-ray structure of RANTES: heparin-derived disaccharides allows the rational design of chemokine inhibitors. Structure, 12, 2004
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2L1F
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![BU of 2l1f by Molmil](/molmil-images/mine/2l1f) | Structure of a conserved retroviral RNA packaging element by NMR spectroscopy and cryo-electron tomography | Descriptor: | RNA (65-MER), RNA (66-MER) | Authors: | Summers, M.F, Irobalieva, R.N, Tolbert, B, Smalls-Manty, A, Iyalla, K, Loeliger, K, D'Souza, V, Khant, H, Schmid, M, Garcia, E, Telesnitsky, A, Chiu, W, Miyazaki, Y. | Deposit date: | 2010-07-28 | Release date: | 2010-10-27 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structure of a conserved retroviral RNA packaging element by NMR spectroscopy and cryo-electron tomography. J.Mol.Biol., 404, 2010
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1U0C
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![BU of 1u0c by Molmil](/molmil-images/mine/1u0c) | Y33C Mutant of Homing endonuclease I-CreI | Descriptor: | 5'-D(*CP*GP*TP*AP*AP*CP*TP*GP*TP*CP*TP*CP*AP*CP*GP*AP*CP*GP*TP*TP*TP*AP*GP*C)-3', 5'-D(*GP*CP*TP*AP*AP*AP*CP*GP*TP*CP*GP*TP*GP*AP*GP*AP*CP*AP*GP*TP*TP*AP*CP*G)-3', DNA endonuclease I-CreI, ... | Authors: | Sussman, D, Chadsey, M, Fauce, S, Engel, A, Bruett, A, Monnat, R, Stoddard, B.L, Seligman, L.M. | Deposit date: | 2004-07-13 | Release date: | 2004-11-02 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Isolation and characterization of new homing endonuclease specificities at individual target site positions. J.Mol.Biol., 342, 2004
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5XIQ
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![BU of 5xiq by Molmil](/molmil-images/mine/5xiq) | Crystal Structure of Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in complex with Halofuginone | Descriptor: | 7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Jain, V, Manickam, Y, Sharma, A. | Deposit date: | 2017-04-26 | Release date: | 2018-03-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Targeting Prolyl-tRNA Synthetase to Accelerate Drug Discovery against Malaria, Leishmaniasis, Toxoplasmosis, Cryptosporidiosis, and Coccidiosis Structure, 25, 2017
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5XOY
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![BU of 5xoy by Molmil](/molmil-images/mine/5xoy) | Crystal structure of LysK from Thermus thermophilus in complex with Lysine | Descriptor: | LYSINE, SULFATE ION, [LysW]-lysine hydrolase | Authors: | Tomita, T, Fujita, S, Hasebe, F, Cho, S.-H, Yoshida, A, Kuzuyama, T, Nishiyama, M. | Deposit date: | 2017-05-31 | Release date: | 2017-09-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Crystal structure of LysK, an enzyme catalyzing the last step of lysine biosynthesis in Thermus thermophilus, in complex with lysine: Insight into the mechanism for recognition of the amino-group carrier protein, LysW Biochem. Biophys. Res. Commun., 491, 2017
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5XP8
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![BU of 5xp8 by Molmil](/molmil-images/mine/5xp8) | Crystal structure of T. thermophilus Argonaute protein complexed with a bulge 4A5 on the guide strand | Descriptor: | DNA (5'-D(*AP*GP*T)-3'), DNA (5'-D(*CP*AP*AP*CP*C*AP*TP*AP*CP*TP*AP*CP*CP*TP*CP*G)-3'), DNA (5'-D(P*TP*GP*AP*GP*AP*GP*TP*AP*GP*TP*AP*GP*GP*TP*TP*GP*T)-3'), ... | Authors: | Sheng, G, Gogakos, T, Wang, J, Zhao, H, Serganov, A, Juranek, S, Tuschl, T, Patel, J.D, Wang, Y. | Deposit date: | 2017-06-01 | Release date: | 2018-04-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structure/cleavage-based insights into helical perturbations at bulge sites within T. thermophilus Argonaute silencing complexes. Nucleic Acids Res., 45, 2017
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5X2N
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![BU of 5x2n by Molmil](/molmil-images/mine/5x2n) | Crystal structure of the medaka fish taste receptor T1r2a-T1r3 ligand binding domains in complex with L-alanine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ALANINE, CHLORIDE ION, ... | Authors: | Nuemket, N, Yasui, N, Atsumi, N, Yamashita, A. | Deposit date: | 2017-02-02 | Release date: | 2017-05-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis for perception of diverse chemical substances by T1r taste receptors Nat Commun, 8, 2017
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5XII
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![BU of 5xii by Molmil](/molmil-images/mine/5xii) | Crystal Structure of Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in complex with inhibitor 6 | Descriptor: | 1,2-ETHANEDIOL, 6-chloranyl-7-fluoranyl-3-[3-[(2R)-3-oxidanylidenepiperidin-2-yl]propyl]quinazolin-4-one, CHLORIDE ION, ... | Authors: | Jain, V, Manickam, Y, Sharma, A. | Deposit date: | 2017-04-26 | Release date: | 2018-03-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Targeting Prolyl-tRNA Synthetase to Accelerate Drug Discovery against Malaria, Leishmaniasis, Toxoplasmosis, Cryptosporidiosis, and Coccidiosis Structure, 25, 2017
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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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5X8W
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![BU of 5x8w by Molmil](/molmil-images/mine/5x8w) | Crystal Structure of the mutant Human ROR gamma Ligand Binding Domain. | Descriptor: | Nuclear receptor ROR-gamma, Nuclear receptor coactivator 1 | Authors: | Noguchi, M, Nomura, A, Murase, K, Doi, S, Yamaguchi, K, Adachi, T. | Deposit date: | 2017-03-03 | Release date: | 2017-06-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Ternary complex of human ROR gamma ligand-binding domain, inverse agonist and SMRT peptide shows a unique mechanism of corepressor recruitment Genes Cells, 22, 2017
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3ZIV
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![BU of 3ziv by Molmil](/molmil-images/mine/3ziv) | |