2R85
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![BU of 2r85 by Molmil](/molmil-images/mine/2r85) | Crystal structure of PurP from Pyrococcus furiosus complexed with AMP | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE MONOPHOSPHATE, CHLORIDE ION, ... | Authors: | Zhang, Y, White, R.H, Ealick, S.E. | Deposit date: | 2007-09-10 | Release date: | 2007-12-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure and function of 5-formaminoimidazole-4-carboxamide ribonucleotide synthetase from Methanocaldococcus jannaschii. Biochemistry, 47, 2008
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2RFD
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![BU of 2rfd by Molmil](/molmil-images/mine/2rfd) | Crystal structure of the complex between the EGFR kinase domain and a Mig6 peptide | Descriptor: | ERBB receptor feedback inhibitor 1, Epidermal growth factor receptor, SULFATE ION | Authors: | Zhang, X, Pickin, K.A, Bose, R, Jura, N, Cole, P.A, Kuriyan, J. | Deposit date: | 2007-09-28 | Release date: | 2007-12-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Inhibition of the EGF receptor by binding of MIG6 to an activating kinase domain interface. Nature, 450, 2007
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2R8P
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![BU of 2r8p by Molmil](/molmil-images/mine/2r8p) | Transketolase from E. coli in complex with substrate D-fructose-6-phosphate | Descriptor: | 1,2-ETHANEDIOL, 2-C-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium-2-yl}-6-O-phosphono-D-glucitol, CALCIUM ION, ... | Authors: | Wille, G, Asztalos, P, Weiss, M.S, Tittmann, K. | Deposit date: | 2007-09-11 | Release date: | 2007-12-11 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Strain and near attack conformers in enzymic thiamin catalysis: X-ray crystallographic snapshots of bacterial transketolase in covalent complex with donor ketoses xylulose 5-phosphate and fructose 6-phosphate, and in noncovalent complex with acceptor aldose ribose 5-phosphate. Biochemistry, 46, 2007
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2R5O
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![BU of 2r5o by Molmil](/molmil-images/mine/2r5o) | Crystal structure of the C-terminal domain of wzt | Descriptor: | CHLORIDE ION, Putative ATP binding component of ABC-transporter, SODIUM ION, ... | Authors: | Kimber, M.S, Cuthbertson, L, Whitfield, C. | Deposit date: | 2007-09-04 | Release date: | 2007-12-25 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Substrate binding by a bacterial ABC transporter involved in polysaccharide export. Proc.Natl.Acad.Sci.Usa, 104, 2007
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2FON
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![BU of 2fon by Molmil](/molmil-images/mine/2fon) | |
4E3L
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![BU of 4e3l by Molmil](/molmil-images/mine/4e3l) | |
4DZU
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![BU of 4dzu by Molmil](/molmil-images/mine/4dzu) | Complex of 3-alpha bound to gp41-5 | Descriptor: | 3-alpha, GLYCEROL, gp41-5 | Authors: | Johnson, L.M, Mortenson, D.E, Yun, H.G, Horne, W.S, Ketas, T.J, Lu, M, Moore, J.P, Gellman, S.H. | Deposit date: | 2012-03-01 | Release date: | 2012-05-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Enhancement of alpha-helix mimicry by an alpha / beta-peptide foldamer via incorporation of a dense ionic side-chain array. J.Am.Chem.Soc., 134, 2012
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4DX5
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![BU of 4dx5 by Molmil](/molmil-images/mine/4dx5) | Transport of drugs by the multidrug transporter AcrB involves an access and a deep binding pocket that are separated by a switch-loop | Descriptor: | (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE, Acriflavine resistance protein B, DARPIN, ... | Authors: | Eicher, T, Cha, H, Seeger, M.A, Brandstaetter, L, El-Delik, J, Bohnert, J.A, Kern, W.V, Verrey, F, Gruetter, M.G, Diederichs, K, Pos, K.M. | Deposit date: | 2012-02-27 | Release date: | 2012-05-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Transport of drugs by the multidrug transporter AcrB involves an access and a deep binding pocket that are separated by a switch-loop. Proc.Natl.Acad.Sci.USA, 109, 2012
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4E2H
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![BU of 4e2h by Molmil](/molmil-images/mine/4e2h) | |
4E2S
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![BU of 4e2s by Molmil](/molmil-images/mine/4e2s) | |
4E3K
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![BU of 4e3k by Molmil](/molmil-images/mine/4e3k) | |
4E3U
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4E1E
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![BU of 4e1e by Molmil](/molmil-images/mine/4e1e) | Crystal structure of Trypanosome cruzi farnesyl diphosphate synthase in complex with [2-(n-hexylamino)ethane-1,1-diyl]bisphosphonic acid and Mg2+ | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ... | Authors: | Aripirala, S, Amzel, L.M, Gabelli, S.B. | Deposit date: | 2012-03-06 | Release date: | 2013-01-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Design, synthesis, calorimetry, and crystallographic analysis of 2-alkylaminoethyl-1,1-bisphosphonates as inhibitors of Trypanosoma cruzi farnesyl diphosphate synthase. J.Med.Chem., 55, 2012
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4DCB
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![BU of 4dcb by Molmil](/molmil-images/mine/4dcb) | Y. pestis Plasminogen Activator Pla in Complex with Human Plasminogen Activation Loop Peptide ALP11 | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, ... | Authors: | Eren, E, van den Berg, B. | Deposit date: | 2012-01-17 | Release date: | 2012-06-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.033 Å) | Cite: | Structural basis for activation of an integral membrane protease by lipopolysaccharide. J.Biol.Chem., 287, 2012
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4E3N
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4E5G
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![BU of 4e5g by Molmil](/molmil-images/mine/4e5g) | Crystal structure of avian influenza virus PAn bound to compound 2 | Descriptor: | 2-4-DIOXO-4-PHENYLBUTANOIC ACID, MANGANESE (II) ION, Polymerase protein PA, ... | Authors: | DuBois, R.M, Slavish, P.J, Webb, T.R, White, S.W. | Deposit date: | 2012-03-14 | Release date: | 2012-08-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.647 Å) | Cite: | Structural and Biochemical Basis for Development of Influenza Virus Inhibitors Targeting the PA Endonuclease. Plos Pathog., 8, 2012
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4E5E
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![BU of 4e5e by Molmil](/molmil-images/mine/4e5e) | Crystal structure of avian influenza virus PAn Apo | Descriptor: | MANGANESE (II) ION, Polymerase protein PA, SULFATE ION | Authors: | DuBois, R.M, White, S.W. | Deposit date: | 2012-03-14 | Release date: | 2012-08-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.048 Å) | Cite: | Structural and Biochemical Basis for Development of Influenza Virus Inhibitors Targeting the PA Endonuclease. Plos Pathog., 8, 2012
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4ECP
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![BU of 4ecp by Molmil](/molmil-images/mine/4ecp) | |
4EE0
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![BU of 4ee0 by Molmil](/molmil-images/mine/4ee0) | Crystal structure of hH-PGDS with water displacing inhibitor | Descriptor: | 4-(isoquinolin-1-yl)-N-[2-(morpholin-4-yl)ethyl]benzamide, Hematopoietic prostaglandin D synthase, L-GAMMA-GLUTAMYL-3-SULFINO-L-ALANYLGLYCINE, ... | Authors: | Day, J.E, Thorarensen, A, Trujillo, J.I. | Deposit date: | 2012-03-28 | Release date: | 2012-07-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Investigation of the binding pocket of human hematopoietic prostaglandin (PG) D2 synthase (hH-PGDS): a tale of two waters. Bioorg.Med.Chem.Lett., 22, 2012
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4EC0
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![BU of 4ec0 by Molmil](/molmil-images/mine/4ec0) | Crystal structure of hH-PGDS with water displacing inhibitor | Descriptor: | 4-[2-(aminomethyl)naphthalen-1-yl]-N-[2-(morpholin-4-yl)ethyl]benzamide, GLUTATHIONE, Hematopoietic prostaglandin D synthase, ... | Authors: | Day, J.E, Thorarensen, A, Trujillo, J.I. | Deposit date: | 2012-03-26 | Release date: | 2012-05-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Investigation of the binding pocket of human hematopoietic prostaglandin (PG) D2 synthase (hH-PGDS): a tale of two waters. Bioorg.Med.Chem.Lett., 22, 2012
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4E4U
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![BU of 4e4u by Molmil](/molmil-images/mine/4e4u) | Crystal structure of a putative Mandelate racemase/Muconate lactonizing enzyme (Target PSI-200780) from Burkholderia SAR-1 | Descriptor: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, Mandalate racemase/muconate lactonizing enzyme | Authors: | Kumar, P.R, Bonanno, J, Chowdhury, S, Foti, R, Gizzi, A, Hammonds, J, Hillerich, B, Matikainen, B, Seidel, R, Toro, R, Zencheck, W, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2012-03-13 | Release date: | 2012-04-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Crystal structure of a putative MR/ML enzyme from Burkholderia SAR-1 to be published
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4EP2
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![BU of 4ep2 by Molmil](/molmil-images/mine/4ep2) | Crystal Structure of inactive single chain wild-type HIV-1 Protease in Complex with the substrate RT-RH | Descriptor: | GLYCEROL, PHOSPHATE ION, protease, ... | Authors: | Schiffer, C.A, Mittal, S. | Deposit date: | 2012-04-16 | Release date: | 2012-06-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural, kinetic, and thermodynamic studies of specificity designed HIV-1 protease. Protein Sci., 21, 2012
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4EQU
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![BU of 4equ by Molmil](/molmil-images/mine/4equ) | Human STK-10 (LOK) kinase domain in DFG-out conformation with inhibitor DSA-7 | Descriptor: | CALCIUM ION, N-{3-[(3-{4-[(4-methoxyphenyl)amino]-1,3,5-triazin-2-yl}pyridin-2-yl)amino]-4-methylphenyl}-3-(trifluoromethyl)benzamide, PENTAETHYLENE GLYCOL, ... | Authors: | Merritt, E.A, Larson, E.T. | Deposit date: | 2012-04-19 | Release date: | 2012-11-07 | Last modified: | 2012-12-19 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Affinity-Based Probes Based on Type II Kinase Inhibitors. J.Am.Chem.Soc., 134, 2012
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4ER5
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![BU of 4er5 by Molmil](/molmil-images/mine/4er5) | Crystal structure of human DOT1L in complex with 2 molecules of EPZ004777 | Descriptor: | 7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ... | Authors: | Wernimont, A.K, Tempel, W, Yu, W, Scopton, A, Li, Y, Nguyen, K.T, Federation, A, Marineau, J, Qi, J, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2012-04-19 | Release date: | 2012-05-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors. Nat Commun, 3, 2012
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4EDA
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![BU of 4eda by Molmil](/molmil-images/mine/4eda) | Structures of monomeric hemagglutinin and its complex with an Fab fragment of a neutralizing antibody that binds to H1 subtype influenza viruses: molecular basis of infectivity of 2009 pandemic H1N1 influenza A viruses | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin | Authors: | Kim, K.H, Cho, K.J, Lee, J.H, Park, Y.H, Khan, T.G, Lee, J.Y, Kang, S.H, Alam, I. | Deposit date: | 2012-03-27 | Release date: | 2013-05-22 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.701 Å) | Cite: | Insight into structural diversity of influenza virus haemagglutinin J.Gen.Virol., 94, 2013
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