6ZAM
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![BU of 6zam by Molmil](/molmil-images/mine/6zam) | Fluorine labeled IPNS S55C in complex with Fe and ACV under anaerobic conditions. | Descriptor: | 1,1,1-tris(fluoranyl)propan-2-one, 1,1,1-tris(fluoranyl)propane-2,2-diol, FE (III) ION, ... | Authors: | Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J. | Deposit date: | 2020-06-05 | Release date: | 2021-06-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis. Sci Adv, 7, 2021
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4NZ0
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1G37
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![BU of 1g37 by Molmil](/molmil-images/mine/1g37) | CRYSTAL STRUCTURE OF HUMAN ALPHA-THROMBIN COMPLEXED WITH BCH-10556 AND EXOSITE-DIRECTED PEPTIDE | Descriptor: | 3-(4-AMINO-CYCLOHEXYL)-2-HYDROXY-3-[(4-OXO-2-PHENYLMETHANESULFONYL-1,2,3,4-TETRAHYDRO-PYRROLO[1,2-A]PYRAZINE-6-CARBONYL)-AMINO]-PROPIONIC ACID BUTYL ESTER, ALPHA THROMBIN, THROMBIN NONAPEPTIDE INHIBITOR | Authors: | Bachand, B, Tarazi, M, St-Denis, Y, Edmunds, J.J, Winocour, P.D, Leblond, L, Siddiqui, M.A. | Deposit date: | 2000-10-23 | Release date: | 2001-04-21 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Potent and selective bicyclic lactam inhibitors of thrombin. Part 4: transition state inhibitors. Bioorg.Med.Chem.Lett., 11, 2001
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6GS0
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![BU of 6gs0 by Molmil](/molmil-images/mine/6gs0) | Native Glucuronoyl Esterase from Opitutus terrae | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, Putative acetyl xylan esterase, ... | Authors: | Lo Leggio, L, Larsbrink, J, Meland Knudsen, R, Mazurkewich, S, Navarro Poulsen, J.C. | Deposit date: | 2018-06-13 | Release date: | 2018-08-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Biochemical and structural features of diverse bacterial glucuronoyl esterases facilitating recalcitrant biomass conversion. Biotechnol Biofuels, 11, 2018
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6D1M
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![BU of 6d1m by Molmil](/molmil-images/mine/6d1m) | Design, synthesis, and X-ray of selenides bearing benzenesulfonamide moiety with neuropathic pain modulating effects | Descriptor: | 4-(cyclohexylselanyl)benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Peat, T.S, Angeli, A, di Cesare Mannelli, L, Micheli, L, Ghelardini, C, Supuran, C.T. | Deposit date: | 2018-04-12 | Release date: | 2018-06-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Design, synthesis and X-ray crystallography of selenides bearing benzenesulfonamide moiety with neuropathic pain modulating effects. Eur J Med Chem, 154, 2018
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6GF7
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2O8S
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![BU of 2o8s by Molmil](/molmil-images/mine/2o8s) | X-ray Crystal Structure of Protein AGR_C_984 from Agrobacterium tumefaciens. Northeast Structural Genomics Consortium Target AtR120. | Descriptor: | AGR_C_984p, SULFATE ION | Authors: | Seetharaman, J, Forouhar, F, Su, M, Zhao, L, Cunningham, K, Ma, L.-C, Janjua, H, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2006-12-12 | Release date: | 2007-01-30 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of the Hypothetical Protein AGR_C_984 from Agrobacterium tumefaciens, Northeast Structural Genomics Target AtR120. To be Published
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6GF8
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2O94
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2NWB
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![BU of 2nwb by Molmil](/molmil-images/mine/2nwb) | Crystal Structure of a Putative 2,3-dioxygenase (SO4414) from Shewanella oneidensis in complex with ferric heme. Northeast Structural Genomics Target SoR52. | Descriptor: | Conserved domain protein, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Forouhar, F, Anderson, J.L.R, Mowat, C.G, Hussain, A, Seetharaman, J, Bruckmann, C, Thackray, S.J, Khan, N, Cunningham, K, Janjua, H, Zhao, L, Xiao, R, Ma, L.C, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Champman, S.K, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2006-11-14 | Release date: | 2006-12-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Molecular insights into substrate recognition and catalysis by tryptophan 2,3-dioxygenase. Proc.Natl.Acad.Sci.Usa, 104, 2007
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4HFH
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![BU of 4hfh by Molmil](/molmil-images/mine/4hfh) | The GLIC pentameric Ligand-Gated Ion Channel (wild-type) complexed to bromoform | Descriptor: | ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ... | Authors: | Sauguet, L, Howard, R.J, Malherbe, L, Lee, U.S, Corringer, P.J, Harris, R.A, Delarue, M. | Deposit date: | 2012-10-05 | Release date: | 2013-04-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structural basis for potentiation by alcohols and anaesthetics in a ligand-gated ion channel. Nat Commun, 4, 2013
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1FVQ
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![BU of 1fvq by Molmil](/molmil-images/mine/1fvq) | SOLUTION STRUCTURE OF THE YEAST COPPER TRANSPORTER DOMAIN CCC2A IN THE APO AND CU(I) LOADED STATES | Descriptor: | COPPER-TRANSPORTING ATPASE | Authors: | Banci, L, Bertini, I, Ciofi Baffoni, S, Huffman, D.L, O'Halloran, T.V. | Deposit date: | 2000-09-20 | Release date: | 2001-03-14 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of the yeast copper transporter domain Ccc2a in the apo and Cu(I)-loaded states. J.Biol.Chem., 276, 2001
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1FZO
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![BU of 1fzo by Molmil](/molmil-images/mine/1fzo) | MHC CLASS I NATURAL MUTANT H-2KBM8 HEAVY CHAIN COMPLEXED WITH BETA-2 MICROGLOBULIN AND SENDAI VIRUS NUCLEOPROTEIN | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Rudolph, M.G, Speir, J.A, Brunmark, A, Mattsson, N, Jackson, M.R, Peterson, P.A, Teyton, L, Wilson, I.A. | Deposit date: | 2000-10-03 | Release date: | 2001-03-28 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The crystal structures of K(bm1) and K(bm8) reveal that subtle changes in the peptide environment impact thermostability and alloreactivity. Immunity, 14, 2001
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1G00
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1FZJ
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![BU of 1fzj by Molmil](/molmil-images/mine/1fzj) | MHC CLASS I NATURAL MUTANT H-2KBM1 HEAVY CHAIN COMPLEXED WITH BETA-2 MICROGLOBULIN AND VESICULAR STOMATITIS VIRUS NUCLEOPROTEIN | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Rudolph, M.G, Speir, J.A, Brunmark, A, Mattsson, N, Jackson, M.R, Peterson, P.A, Teyton, L, Wilson, I.A. | Deposit date: | 2000-10-03 | Release date: | 2001-03-28 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The crystal structures of K(bm1) and K(bm8) reveal that subtle changes in the peptide environment impact thermostability and alloreactivity. Immunity, 14, 2001
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4H4G
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![BU of 4h4g by Molmil](/molmil-images/mine/4h4g) | Crystal Structure of (3R)-hydroxymyristoyl-[acyl-carrier-protein] dehydratase from Burkholderia thailandensis E264 | Descriptor: | (3R)-hydroxymyristoyl-[acyl-carrier-protein] dehydratase | Authors: | Craig, T.K, Edwards, T.E, Staker, B, Stewart, L, Lorimer, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2012-09-17 | Release date: | 2012-10-03 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Combining functional and structural genomics to sample the essential Burkholderia structome. Plos One, 8, 2013
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1G98
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2OFH
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![BU of 2ofh by Molmil](/molmil-images/mine/2ofh) | Solution structure of the n-terminal domain of the zinc(II) ATPase ziaa in its apo form | Descriptor: | Zinc-transporting ATPase | Authors: | Banci, L, Bertini, I, Ciofi-Baffoni, S, Poggi, L, Robinson, N.J, Vanarotti, M. | Deposit date: | 2007-01-03 | Release date: | 2007-12-18 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | NMR structural analysis of the soluble domain of ZiaA-ATPase and the basis of selective interactions with copper metallochaperone Atx1. J.Biol.Inorg.Chem., 15, 2010
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3PCU
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![BU of 3pcu by Molmil](/molmil-images/mine/3pcu) | Crystal structure of human retinoic X receptor alpha ligand-binding domain complexed with LX0278 and SRC1 peptide | Descriptor: | 2-[(2S)-6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydro-7H-furo[3,2-g]chromen-2-yl]propan-2-yl acetate, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | Authors: | Zhang, H, Zhang, Y, Shen, H, Chen, J, Li, C, Chen, L, Hu, L, Jiang, H, Shen, X. | Deposit date: | 2010-10-22 | Release date: | 2011-11-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | (+)-Rutamarin as a Dual Inducer of Both GLUT4 Translocation and Expression Efficiently Ameliorates Glucose Homeostasis in Insulin-Resistant Mice. Plos One, 7, 2012
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3RTP
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![BU of 3rtp by Molmil](/molmil-images/mine/3rtp) | Design and synthesis of brain penetrant selective JNK inhibitors with improved pharmacokinetic properties for the prevention of neurodegeneration | Descriptor: | Mitogen-activated protein kinase 10, N-[4-cyano-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1(2H)-yl)acetamide | Authors: | Bowers, S, Truong, A.P, Neitz, R.J, Hom, R.K, Sealy, J.M, Probst, G.D, Quincy, Q, Peterson, B, Chan, W, Galemmo Jr, R.A, Konradi, A.W, Sham, H.L, Pan, H, Lin, M, Yao, N, Artis, D.R, Zhang, H, Chen, L, Dryer, M, Samant, B, Zmolek, W, Wong, K, Lorentzen, C, Goldbach, E, Tonn, G, Quinn, K.P, Sauer, J, Wright, S, Powell, K, Ruslim, L, Ren, Z, Bard, F, Yednock, T.A, Griswold-Prenne, I. | Deposit date: | 2011-05-03 | Release date: | 2013-05-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Design and synthesis of brain penetrant selective JNK inhibitors with improved pharmacokinetic properties for the prevention of neurodegeneration. Bioorg.Med.Chem.Lett., 21, 2011
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1GBR
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![BU of 1gbr by Molmil](/molmil-images/mine/1gbr) | ORIENTATION OF PEPTIDE FRAGMENTS FROM SOS PROTEINS BOUND TO THE N-TERMINAL SH3 DOMAIN OF GRB2 DETERMINED BY NMR SPECTROSCOPY | Descriptor: | GROWTH FACTOR RECEPTOR-BOUND PROTEIN 2, SOS-A PEPTIDE | Authors: | Wittekind, M, Mapelli, C, Farmer, B.T, Suen, K.-L, Goldfarb, V, Tsao, J, Lavoie, T, Barbacid, M, Meyers, C.A, Mueller, L. | Deposit date: | 1994-08-12 | Release date: | 1995-01-26 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Orientation of peptide fragments from Sos proteins bound to the N-terminal SH3 domain of Grb2 determined by NMR spectroscopy. Biochemistry, 33, 1994
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2UUM
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![BU of 2uum by Molmil](/molmil-images/mine/2uum) | Crystal structure of C-phycocyanin from Phormidium, Lyngbya spp. (Marine) and Spirulina sp. (Fresh water) shows two different ways of energy transfer between two hexamers. | Descriptor: | BILIVERDINE IX ALPHA, C-PHYCOCYANIN ALPHA CHAIN, C-PHYCOCYANIN BETA CHAIN, ... | Authors: | Satyanarayana, L, Patel, A, Mishra, S, K Ghosh, P, Suresh, C.G. | Deposit date: | 2007-03-04 | Release date: | 2008-05-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal Structure of C-Phycocyanin from Phormidium, Lyngbya Spp. (Marine) and Spirulina Sp. (Fresh Water) Shows Two Different Ways of Energy Transfer between Two Hexamers. To be Published
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2NYS
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![BU of 2nys by Molmil](/molmil-images/mine/2nys) | X-ray Crystal Structure of Protein AGR_C_3712 from Agrobacterium tumefaciens. Northeast Structural Genomics Consortium Target AtR88. | Descriptor: | AGR_C_3712p | Authors: | Vorobiev, S.M, Abashidze, M, Seetharaman, J, Zhao, L, Ma, L.C, Cunningham, K, Nwosu, C, Xiao, R, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2006-11-21 | Release date: | 2006-12-05 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of the hypothetical protein AGR_C_3712 from Agrobacterium tumefaciens. To be Published
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2O18
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![BU of 2o18 by Molmil](/molmil-images/mine/2o18) | Crystal structure of a Thiamine biosynthesis lipoprotein apbE, NorthEast Strcutural Genomics target ER559 | Descriptor: | CALCIUM ION, Thiamine biosynthesis lipoprotein apbE | Authors: | Seetharaman, J, Su, M, Wang, D, Fang, Y, Cunningham, K, Ma, L, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2006-11-28 | Release date: | 2006-12-05 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of a Thiamine biosynthesis lipoprotein apbE To be Published
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3RU6
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![BU of 3ru6 by Molmil](/molmil-images/mine/3ru6) | 1.8 Angstrom resolution crystal structure of orotidine 5'-phosphate decarboxylase (pyrF) from Campylobacter jejuni subsp. jejuni NCTC 11168 | Descriptor: | CHLORIDE ION, IODIDE ION, Orotidine 5'-phosphate decarboxylase | Authors: | Halavaty, A.S, Minasov, G, Shuvalova, L, Dubrovska, I, Winsor, J, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2011-05-04 | Release date: | 2011-05-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 1.8 Angstrom resolution crystal structure of orotidine 5'-phosphate decarboxylase (pyrF) from Campylobacter jejuni subsp. jejuni NCTC 11168 To be Published
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