2Y81
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![BU of 2y81 by Molmil](/molmil-images/mine/2y81) | Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with aminoindane and phenylpyrrolidine P4 motifs | Descriptor: | 6-CHLORO-N-((3S)-2-OXO-1-{4-[(2R)-2--PYRROLIDINYL] PHENYL}-3-PYRROLIDINYL)-2-NAPHTHALENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | Authors: | Young, R.J, Adams, C, Blows, M, Brown, D, Burns-Kurtis, C.L, Chaudry, L, Chan, C, Convery, M.A, Davies, D.E, Exall, A.M, Foster, G, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Jackson, S, Kleanthous, S, Pateman, A.J, Patikis, A.N, Roethka, T.J, Senger, S, Stelman, G.J, Toomey, J.R, West, R.I, Whittaker, C, Zhou, P, Watson, N.S. | Deposit date: | 2011-02-02 | Release date: | 2011-03-16 | Last modified: | 2019-10-16 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Aminoindane and Phenylpyrrolidine P4 Motifs. Bioorg.Med.Chem.Lett., 21, 2011
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2YKN
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![BU of 2ykn by Molmil](/molmil-images/mine/2ykn) | Crystal structure of HIV-1 Reverse Transcriptase (RT) in complex with a Difluoromethylbenzoxazole (DFMB) Pyrimidine Thioether derivative, a non-nucleoside RT inhibitor (NNRTI) | Descriptor: | 2-[DIFLUORO-[(4-METHYL-PYRIMIDINYL)-THIO]METHYL]-BENZOXAZOLE, CALCIUM ION, REVERSE TRANSCRIPTASE/RIBONUCLEASE H | Authors: | Boyer, J, Arnoult, E, Medebielle, M, Guillemont, J, Unge, T, Unge, J, Jochmans, D. | Deposit date: | 2011-05-28 | Release date: | 2011-08-17 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Difluoromethylbenzoxazole Pyrimidine Thioether Derivatives: A Novel Class of Potent Non-Nucleoside HIV-1 Reverse Transcriptase Inhibitors. J.Med.Chem., 54, 2011
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2YCX
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![BU of 2ycx by Molmil](/molmil-images/mine/2ycx) | TURKEY BETA1 ADRENERGIC RECEPTOR WITH STABILISING MUTATIONS AND BOUND ANTAGONIST CYANOPINDOLOL | Descriptor: | 4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3H-indole-2-carbonitrile, BETA-1 ADRENERGIC RECEPTOR, octyl 1-thio-beta-D-glucopyranoside | Authors: | Moukhametzianov, R, Warne, T, Edwards, P.C, Serrano-Vega, M.J, Leslie, A.G.W, Tate, C.G, Schertler, G.F.X. | Deposit date: | 2011-03-17 | Release date: | 2011-06-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Two Distinct Conformations of Helix 6 Observed in Antagonist-Bound Structures of a Beta-1- Adrenergic Receptor. Proc.Natl.Acad.Sci.USA, 108, 2011
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2YH0
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![BU of 2yh0 by Molmil](/molmil-images/mine/2yh0) | Solution structure of the closed conformation of human U2AF65 tandem RRM1 and RRM2 domains | Descriptor: | SPLICING FACTOR U2AF 65 KDA SUBUNIT | Authors: | Mackereth, C.D, Madl, T, Simon, B, Zanier, K, Gasch, A, Sattler, M. | Deposit date: | 2011-04-26 | Release date: | 2011-07-20 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Multi-Domain Conformational Selection Underlies Pre-Mrna Splicing Regulation by U2Af Nature, 475, 2011
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2Y80
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![BU of 2y80 by Molmil](/molmil-images/mine/2y80) | Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with aminoindane and phenylpyrrolidine P4 motifs | Descriptor: | 6-CHLORO-N-{(3S)-1-[(1S)-1-(DIMETHYLAMINO)-2,3-DIHYDRO-1H-INDEN-5-YL]-2-OXO-3-PYRROLIDINYL}-2-NAPHTHALENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | Authors: | Young, R.J, Adams, C, Blows, M, Brown, D, Burns-Kurtis, C.L, Chaudry, L, Chan, C, Convery, M.A, Davies, D.E, Exall, A.M, Foster, G, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Jackson, S, Kleanthous, S, Pateman, A.J, Patikis, A.N, Roethka, T.J, Senger, S, Stelman, G.J, Toomey, J.R, West, R.I, Whittaker, C, Zhou, P, Watson, N.S. | Deposit date: | 2011-02-02 | Release date: | 2011-03-16 | Last modified: | 2019-10-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Aminoindane and Phenylpyrrolidine P4 Motifs. Bioorg.Med.Chem.Lett., 21, 2011
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2YCY
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![BU of 2ycy by Molmil](/molmil-images/mine/2ycy) | TURKEY BETA1 ADRENERGIC RECEPTOR WITH STABILISING MUTATIONS AND BOUND ANTAGONIST CYANOPINDOLOL | Descriptor: | 4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3H-indole-2-carbonitrile, BETA-1 ADRENERGIC RECEPTOR, SODIUM ION, ... | Authors: | Moukhametzianov, R, Warne, T, Edwards, P.C, Serrano-Vega, M.J, Leslie, A.G.W, Tate, C.G, Schertler, G.F.X. | Deposit date: | 2011-03-17 | Release date: | 2011-06-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Two Distinct Conformations of Helix 6 Observed in Antagonist-Bound Structures of a {Beta}1- Adrenergic Receptor. Proc.Natl.Acad.Sci.USA, 108, 2011
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3MYA
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2YXC
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2Y83
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![BU of 2y83 by Molmil](/molmil-images/mine/2y83) | Actin filament pointed end | Descriptor: | ACTIN, ALPHA SKELETAL MUSCLE, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Narita, A, Oda, T, Maeda, Y. | Deposit date: | 2011-02-02 | Release date: | 2011-03-30 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (22.9 Å) | Cite: | Structural Basis for the Slow Dynamics of the Actin Filament Pointed End. Embo J., 30, 2011
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2YCZ
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![BU of 2ycz by Molmil](/molmil-images/mine/2ycz) | TURKEY BETA1 ADRENERGIC RECEPTOR WITH STABILISING MUTATIONS AND BOUND ANTAGONIST IODOCYANOPINDOLOL | Descriptor: | 4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3-iodo-1H-indole-2-carbonitrile, BETA-1 ADRENERGIC RECEPTOR, octyl 1-thio-beta-D-glucopyranoside | Authors: | Moukhametzianov, R, Warne, T, Edwards, P.C, Serrano-Vega, M.J, Leslie, A.G.W, Tate, C.G, Schertler, G.F.X. | Deposit date: | 2011-03-17 | Release date: | 2011-06-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.65 Å) | Cite: | Two Distinct Conformations of Helix 6 Observed in Antagonist-Bound Structures of a {Beta}1- Adrenergic Receptor. Proc.Natl.Acad.Sci.USA, 108, 2011
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1E9N
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![BU of 1e9n by Molmil](/molmil-images/mine/1e9n) | A second divalent metal ion in the active site of a new crystal form of human apurinic/apyrimidinic endonuclease, Ape1, and its implications for the catalytic mechanism | Descriptor: | DNA-(APURINIC OR APYRIMIDINIC SITE) LYASE, LEAD (II) ION | Authors: | Beernink, P.T, Segelke, B.W, Rupp, B. | Deposit date: | 2000-10-24 | Release date: | 2001-02-16 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Two Divalent Metal Ions in the Active Site of a New Crystal Form of Human Apurinic/Apyrimidinic Endonuclease, Ape1: Implications for the Catalytic Mechanism J.Mol.Biol., 307, 2001
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3N45
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![BU of 3n45 by Molmil](/molmil-images/mine/3n45) | Human FPPS complex with FBS_04 and zoledronic acid/MG2+ | Descriptor: | (2S)-1-[(benzyloxy)carbonyl]-2,3-dihydro-1H-indole-2-carboxylic acid, FARNESYL PYROPHOSPHATE SYNTHASE, MAGNESIUM ION, ... | Authors: | Rondeau, J.-M. | Deposit date: | 2010-05-21 | Release date: | 2010-08-18 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery. Nat.Chem.Biol., 6, 2010
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3N5H
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![BU of 3n5h by Molmil](/molmil-images/mine/3n5h) | Human fpps complex with NOV_304 | Descriptor: | 3-(carboxymethyl)-4,7-dichloro-1H-indole-2-carboxylic acid, FARNESYL PYROPHOSPHATE SYNTHASE, PHOSPHATE ION | Authors: | Rondeau, J.-M. | Deposit date: | 2010-05-25 | Release date: | 2010-08-18 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery. Nat.Chem.Biol., 6, 2010
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3N5A
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![BU of 3n5a by Molmil](/molmil-images/mine/3n5a) | Synaptotagmin-7, C2B-domain, calcium bound | Descriptor: | CALCIUM ION, Synaptotagmin-7 | Authors: | Tomchick, D.R, Rizo, J, Craig, T.K. | Deposit date: | 2010-05-24 | Release date: | 2010-09-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.441 Å) | Cite: | Structural and mutational analysis of functional differentiation between synaptotagmins-1 and -7. Plos One, 5, 2010
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3MTU
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![BU of 3mtu by Molmil](/molmil-images/mine/3mtu) | Structure of the Tropomyosin Overlap Complex from Chicken Smooth Muscle | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Capsid assembly scaffolding protein,Tropomyosin alpha-1 chain, ... | Authors: | Klenchin, V.A, Frye, J, Rayment, I. | Deposit date: | 2010-04-30 | Release date: | 2010-06-23 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of the tropomyosin overlap complex from chicken smooth muscle: insight into the diversity of N-terminal recognition . Biochemistry, 49, 2010
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3N6K
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![BU of 3n6k by Molmil](/molmil-images/mine/3n6k) | Human FPPS complex with NOV_823 | Descriptor: | 1-(carboxymethyl)-1H-benzo[g]indole-2-carboxylic acid, FARNESYL PYROPHOSPHATE SYNTHASE, PHOSPHATE ION | Authors: | Rondeau, J.-M. | Deposit date: | 2010-05-26 | Release date: | 2010-08-18 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery. Nat.Chem.Biol., 6, 2010
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2Y7X
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![BU of 2y7x by Molmil](/molmil-images/mine/2y7x) | The discovery of potent and long-acting oral factor Xa inhibitors with tetrahydroisoquinoline and benzazepine P4 motifs | Descriptor: | 6-CHLORO-N-[(3S)-1-(5-FLUORO-1,2,3,4-TETRAHYDROISOQUINOLIN-6-YL)-2-OXO-PYRROLIDIN-3-YL]NAPHTHALENE-2-SULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | Authors: | Watson, N.S, Adams, C, Belton, D, Brown, D, Burns-Kurtis, C.L, Chaudry, L, Chan, C, Convery, M.A, Davies, D.E, Exall, A.M, Harling, J.D, Irving, W.R, Irvine, S, Kleanthous, S, McLay, I.M, Pateman, A.J, Patikis, A.N, Roethka, T.J, Senger, S, Stelman, G.J, Toomey, J.R, West, R.I, Whittaker, C, Zhou, P, Young, R.J. | Deposit date: | 2011-02-02 | Release date: | 2011-03-16 | Last modified: | 2017-06-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Discovery of Potent and Long-Acting Oral Factor Xa Inhibitors with Tetrahydroisoquinoline and Benzazepine P4 Motifs. Bioorg.Med.Chem.Lett., 21, 2011
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4FXI
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2YB6
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![BU of 2yb6 by Molmil](/molmil-images/mine/2yb6) | Native human Rad6 | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, UBIQUITIN-CONJUGATING ENZYME E2 B | Authors: | Hibbert, R.G, Sixma, T.K. | Deposit date: | 2011-03-02 | Release date: | 2011-04-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | E3 Ligase Rad18 Promotes Monoubiquitination Rather Than Ubiquitin Chain Formation by E2 Enzyme Rad6. Proc.Natl.Acad.Sci.USA, 108, 2011
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2YGX
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![BU of 2ygx by Molmil](/molmil-images/mine/2ygx) | Structure of the mixed-function P450 MycG in P21 space group | Descriptor: | GLYCEROL, P-450-LIKE PROTEIN, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Li, S, Kells, P.M, Rutaganira, F.U, Sherman, D.H, Podust, L.M. | Deposit date: | 2011-04-22 | Release date: | 2012-02-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Substrate Recognition by the Multifunctional Cytochrome P450 Mycg in Mycinamicin Hydroxylation and Epoxidation Reactions. J.Biol.Chem., 287, 2012
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3N5J
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![BU of 3n5j by Molmil](/molmil-images/mine/3n5j) | Human fpps complex with NOV_311 | Descriptor: | 3-(carboxymethyl)-5,7-dichloro-1H-indole-2-carboxylic acid, FARNESYL PYROPHOSPHATE SYNTHASE, PHOSPHATE ION | Authors: | Rondeau, J.-M. | Deposit date: | 2010-05-25 | Release date: | 2010-08-18 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery. Nat.Chem.Biol., 6, 2010
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2YGG
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![BU of 2ygg by Molmil](/molmil-images/mine/2ygg) | Complex of CaMBR and CaM | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, ... | Authors: | Koester, S, Yildiz, O. | Deposit date: | 2011-04-15 | Release date: | 2011-09-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.227 Å) | Cite: | Structure of Human Na+/H+ Exchanger Nhe1 Regulatory Region in Complex with Cam and Ca2+ J.Biol.Chem., 286, 2011
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2YQ1
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3MUD
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![BU of 3mud by Molmil](/molmil-images/mine/3mud) | Structure of the Tropomyosin Overlap Complex from Chicken Smooth Muscle | Descriptor: | 1,2-ETHANEDIOL, DNA repair protein XRCC4,Tropomyosin alpha-1 chain, SULFATE ION, ... | Authors: | Klenchin, V.A, Frye, J, Rayment, I. | Deposit date: | 2010-05-02 | Release date: | 2010-06-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of the tropomyosin overlap complex from chicken smooth muscle: insight into the diversity of N-terminal recognition . Biochemistry, 49, 2010
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3N46
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![BU of 3n46 by Molmil](/molmil-images/mine/3n46) | Human FPPS complex with NOV_980 and zoledronic acid/MG2+ | Descriptor: | (2R)-1-[(benzyloxy)carbonyl]-2,3-dihydro-1H-indole-2-carboxylic acid, FARNESYL PYROPHOSPHATE SYNTHASE, MAGNESIUM ION, ... | Authors: | Rondeau, J.-M. | Deposit date: | 2010-05-21 | Release date: | 2010-08-18 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery. Nat.Chem.Biol., 6, 2010
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