2YOM
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![BU of 2yom by Molmil](/molmil-images/mine/2yom) | Solution NMR structure of the C-terminal extension of two bacterial light, oxygen, voltage (LOV) photoreceptor proteins from Pseudomonas putida | Descriptor: | SENSORY BOX PROTEIN | Authors: | Rani, R, Lecher, J, Hartmann, R, Krauss, U, Jaeger, K, Willbold, D. | Deposit date: | 2012-10-25 | Release date: | 2013-07-10 | Last modified: | 2019-10-23 | Method: | SOLUTION NMR | Cite: | Conservation of Dark Recovery Kinetic Parameters and Structural Features in the Pseudomonadaceae "Short" Light, Oxygen, Voltage (Lov) Protein Family: Implications for the Design of Lov-Based Optogenetic Tools. Biochemistry, 52, 2013
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1MZW
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![BU of 1mzw by Molmil](/molmil-images/mine/1mzw) | Crystal structure of a U4/U6 snRNP complex between human spliceosomal cyclophilin H and a U4/U6-60K peptide | Descriptor: | U-snRNP-associated cyclophilin, U4/U6 snrnp 60kDa protein | Authors: | Reidt, U, Wahl, M.C, Horowitz, D.S, Luehrmann, R, Ficner, R. | Deposit date: | 2002-10-10 | Release date: | 2003-08-19 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of a complex between human spliceosomal cyclophilin H and a U4/U6 snRNP-60K peptide J.Mol.Biol., 331, 2003
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4OIA
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![BU of 4oia by Molmil](/molmil-images/mine/4oia) | Crystal Structure of ICAM-5 D1-D4 ectodomain fragment, Space Group P4322 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Recacha, R, Jimenez, D, Tian, L, Barredo, R, Ghamberg, C, Casasnovas, J.M. | Deposit date: | 2014-01-19 | Release date: | 2014-07-16 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | Crystal structures of an ICAM-5 ectodomain fragment show electrostatic-based homophilic adhesions. Acta Crystallogr.,Sect.D, 70, 2014
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2YX0
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![BU of 2yx0 by Molmil](/molmil-images/mine/2yx0) | Crystal structure of P. horikoshii TYW1 | Descriptor: | radical sam enzyme | Authors: | Goto-Ito, S, Ishii, R, Ito, T, Shibata, R, Fusatomi, E, Sekine, S, Bessho, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-04-23 | Release date: | 2007-10-30 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Structure of an archaeal TYW1, the enzyme catalyzing the second step of wye-base biosynthesis Acta Crystallogr.,Sect.D, 63, 2007
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5D0U
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![BU of 5d0u by Molmil](/molmil-images/mine/5d0u) | |
5D6C
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![BU of 5d6c by Molmil](/molmil-images/mine/5d6c) | Structure of 4497 Fab bound to synthetic wall teichoic acid fragment | Descriptor: | 4-O-[2-acetamido-2-deoxy-beta-D-glucopyranosyl]-5-O-phosphono-D-ribitol, 4497 antibody IgG1 (VH and CH1), 4497 antibody IgK (VL and CL), ... | Authors: | Lupardus, P.J, Fong, R. | Deposit date: | 2015-08-12 | Release date: | 2015-11-11 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Novel antibody-antibiotic conjugate eliminates intracellular S. aureus. Nature, 527, 2015
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5D2A
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![BU of 5d2a by Molmil](/molmil-images/mine/5d2a) | Bifunctional dendrimers | Descriptor: | 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, CALCIUM ION, Fucose-binding lectin, ... | Authors: | Michaud, G, Visini, R, Stocker, A, Darbre, T, Reymond, J.L. | Deposit date: | 2015-08-05 | Release date: | 2016-02-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.134 Å) | Cite: | Overcoming antibiotic resistance inPseudomonas aeruginosabiofilms using glycopeptide dendrimers. Chem Sci, 7, 2016
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5EAP
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![BU of 5eap by Molmil](/molmil-images/mine/5eap) | Crystal structure of human WDR5 in complex with compound 9e | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | Authors: | DONG, A, DOMBROVSKI, L, SMIL, D, GETLIK, M, BOLSHAN, Y, WALKER, J.R, SENISTERRA, G, PODA, G, AL-AWAR, R, SCHAPIRA, M, VEDADI, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) | Deposit date: | 2015-10-16 | Release date: | 2015-11-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Structure-Based Optimization of a Small Molecule Antagonist of the Interaction Between WD Repeat-Containing Protein 5 (WDR5) and Mixed-Lineage Leukemia 1 (MLL1). J. Med. Chem., 59, 2016
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3UCA
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![BU of 3uca by Molmil](/molmil-images/mine/3uca) | Crystal structure of isoprenoid synthase (target EFI-501974) from clostridium perfringens | Descriptor: | Geranyltranstransferase | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Poulter, C.D, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2011-10-26 | Release date: | 2011-11-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Prediction of function for the polyprenyl transferase subgroup in the isoprenoid synthase superfamily. Proc.Natl.Acad.Sci.USA, 110, 2013
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3H9N
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![BU of 3h9n by Molmil](/molmil-images/mine/3h9n) | Crystal structure of the ribosome maturation factor rimm (hi0203) from h.influenzae. northeast structural genomics consortium target IR66. | Descriptor: | Ribosome maturation factor rimM, SULFATE ION | Authors: | Kuzin, A, Su, M, Seetharaman, J, Mao, M, Xiao, R, Maglaqui, M, Zhao, L, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2009-04-30 | Release date: | 2009-05-19 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Northeast Structural Genomics Consortium Target IR66 To be Published
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3GOC
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![BU of 3goc by Molmil](/molmil-images/mine/3goc) | Crystal structure of the Endonuclease V (SAV1684) from Streptomyces avermitilis. Northeast Structural Genomics Consortium Target SvR196 | Descriptor: | 3-(2-hydroxyethyl)-2,2-bis(hydroxymethyl)pentane-1,5-diol, CHLORIDE ION, Endonuclease V, ... | Authors: | Forouhar, F, Abashidze, M, Hussain, M, Seetharaman, J, Fang, F, Xiao, R, Cunningham, K, Ma, L, Owens, L, Chen, C.X, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2009-03-18 | Release date: | 2009-03-31 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of the Endonuclease V (SAV1684) from Streptomyces avermitilis. Northeast Structural Genomics Consortium Target SvR196. To be Published
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4F0Z
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![BU of 4f0z by Molmil](/molmil-images/mine/4f0z) | Crystal Structure of Calcineurin in Complex with the Calcineurin-Inhibiting Domain of the African Swine Fever Virus Protein A238L | Descriptor: | Ankyrin repeat domain-containing protein A238L, CALCIUM ION, Calcineurin subunit B type 1, ... | Authors: | Grigoriu, S, Peti, W, Page, R. | Deposit date: | 2012-05-05 | Release date: | 2013-03-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The molecular mechanism of substrate engagement and immunosuppressant inhibition of calcineurin. Plos Biol., 11, 2013
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3UGX
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![BU of 3ugx by Molmil](/molmil-images/mine/3ugx) | Crystal Structure of Visual Arrestin | Descriptor: | 1,2-ETHANEDIOL, IMIDAZOLE, PENTANEDIAL, ... | Authors: | Batra-Safferling, R, Granzin, J. | Deposit date: | 2011-11-03 | Release date: | 2012-02-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.649 Å) | Cite: | Crystal Structure of p44, a Constitutively Active Splice Variant of Visual Arrestin. J.Mol.Biol., 416, 2012
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3UGU
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6KEN
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![BU of 6ken by Molmil](/molmil-images/mine/6ken) | Crystal structure of Drosophila melanogaster Noppera-bo, glutathione S-transferase epsilon 14 (DmGSTE14), in glutathione-bound form | Descriptor: | GLUTATHIONE, Glutathione S-transferase E14 | Authors: | Koiwai, K, Inaba, K, Morohashi, K, Yumoto, F, Niwa, R, Senda, T. | Deposit date: | 2019-07-04 | Release date: | 2019-10-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | An integrated approach to unravel a crucial structural property required for the function of the insect steroidogenic Halloween protein Noppera-bo. J.Biol.Chem., 295, 2020
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3UNJ
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![BU of 3unj by Molmil](/molmil-images/mine/3unj) | CDK2 in complex with inhibitor YL1-038-31 | Descriptor: | 4-{[4-(phenylamino)pyrimidin-2-yl]amino}benzoic acid, Cyclin-dependent kinase 2, PHOSPHATE ION | Authors: | Zhu, J.-Y, Martin, M.P, Alam, R, Schonbrunn, E. | Deposit date: | 2011-11-15 | Release date: | 2012-01-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9001 Å) | Cite: | A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A. Acs Chem.Biol., 7, 2012
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4FCR
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![BU of 4fcr by Molmil](/molmil-images/mine/4fcr) | Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization | Descriptor: | 2-{[4-(2-chloro-4,5-dimethoxyphenyl)-5-cyano-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl}-N,N-dimethylacetamide, Heat shock protein HSP 90-alpha | Authors: | Davies, N.G, Browne, H, Davis, B, Foloppe, N, Geoffrey, S, Gibbons, B, Hart, T, Drysdale, M.J, Mansell, H, Massey, A, Matassova, N, Moore, J.D, Murray, J, Pratt, R, Ray, S, Roughley, S.D, Jensen, M.R, Schoepfer, J, Scriven, K, Simmonite, H, Stokes, S, Surgenor, A, Webb, P, Wright, L, Brough, P. | Deposit date: | 2012-05-25 | Release date: | 2012-10-24 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.698 Å) | Cite: | Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization. Bioorg.Med.Chem., 20, 2012
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3GW2
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![BU of 3gw2 by Molmil](/molmil-images/mine/3gw2) | Crystal structure of possible transcriptional regulatory protein (fragment 1-100) from Mycobacterium bovis. Northeast Structural Genomics Consortium Target MbR242E. | Descriptor: | Possible transcriptional regulatory arsR-family protein | Authors: | Kuzin, A.P, Su, M, Seetharaman, J, Mao, M, Xiao, R, Ciccosanti, C, Wang, D, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2009-03-31 | Release date: | 2009-04-21 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Northeast Structural Genomics Consortium Target MbR242E To be published
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3HA2
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![BU of 3ha2 by Molmil](/molmil-images/mine/3ha2) | Crystal Structure of Protein (NADPH-quinone reductase) from P.pentosaceus, Northeast Structural Genomics Consortium Target PtR24A | Descriptor: | DI(HYDROXYETHYL)ETHER, NADPH-quinone reductase, SULFATE ION | Authors: | Kuzin, A, Su, M, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Maglaqui, M, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2009-04-30 | Release date: | 2009-05-26 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Northeast Structural Genomics Consortium Target PtR24A To be Published
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3GT0
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![BU of 3gt0 by Molmil](/molmil-images/mine/3gt0) | Crystal structure of pyrroline 5-carboxylate reductase from Bacillus cereus. Northeast Structural Genomics Consortium Target BcR38B | Descriptor: | Pyrroline-5-carboxylate reductase | Authors: | Kuzin, A.P, Abashidze, M, Seetharaman, J, Shastry, R, Fang, Y, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2009-03-27 | Release date: | 2009-04-21 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Northeast Structural Genomics Consortium Target BcR38B To be published
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3GW4
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![BU of 3gw4 by Molmil](/molmil-images/mine/3gw4) | Crystal structure of uncharacterized protein from Deinococcus radiodurans. Northeast Structural Genomics Consortium Target DrR162B. | Descriptor: | Uncharacterized protein | Authors: | Kuzin, A.P, Abashidze, M, Seetharaman, J, Sahdev, S, Xiao, R, Foote, E.L, Ciccosanti, C, Wang, H, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2009-03-31 | Release date: | 2009-04-21 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Northeast Structural Genomics Consortium Target DrR162B To be published
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3H9W
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![BU of 3h9w by Molmil](/molmil-images/mine/3h9w) | Crystal Structure of the N-terminal domain of Diguanylate cyclase with PAS/PAC sensor (Maqu_2914) from Marinobacter aquaeolei, Northeast Structural Genomics Consortium Target MqR66C | Descriptor: | Diguanylate cyclase with PAS/PAC sensor | Authors: | Seetharaman, J, Su, M, Wang, H, Foote, E.L, Mao, L, Nair, R, Rost, B, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2009-04-30 | Release date: | 2009-05-19 | Last modified: | 2019-07-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Northeast Structural Genomics Consortium Target MqR66C To be Published
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4FP4
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![BU of 4fp4 by Molmil](/molmil-images/mine/4fp4) | Crystal structure of isoprenoid synthase a3mx09 (target efi-501993) from pyrobaculum calidifontis | Descriptor: | GERAN-8-YL GERAN, Polyprenyl synthetase, UNKNOWN ATOM OR ION, ... | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Poulter, C.D, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2012-06-21 | Release date: | 2012-07-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Prediction of function for the polyprenyl transferase subgroup in the isoprenoid synthase superfamily. Proc.Natl.Acad.Sci.USA, 110, 2013
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4F62
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![BU of 4f62 by Molmil](/molmil-images/mine/4f62) | Crystal structure of a putative farnesyl-diphosphate synthase from Marinomonas sp. MED121 (Target EFI-501980) | Descriptor: | CHLORIDE ION, GLYCEROL, Geranyltranstransferase, ... | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Poulter, C.D, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2012-05-14 | Release date: | 2012-06-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.101 Å) | Cite: | Prediction of function for the polyprenyl transferase subgroup in the isoprenoid synthase superfamily. Proc.Natl.Acad.Sci.USA, 110, 2013
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4FCQ
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![BU of 4fcq by Molmil](/molmil-images/mine/4fcq) | Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization | Descriptor: | 4-(2,4-dimethylphenyl)-2-(methylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Heat shock protein HSP 90-alpha | Authors: | Davies, N.G, Browne, H, Davis, B, Foloppe, N, Geoffrey, S, Gibbons, B, Hart, T, Drysdale, M.J, Mansell, H, Massey, A, Matassova, N, Moore, J.D, Murray, J, Pratt, R, Ray, S, Roughley, S.D, Jensen, M.R, Schoepfer, J, Scriven, K, Simmonite, H, Stokes, S, Surgenor, A, Webb, P, Wright, L, Brough, P. | Deposit date: | 2012-05-25 | Release date: | 2012-10-24 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.151 Å) | Cite: | Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization. Bioorg.Med.Chem., 20, 2012
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