6X83
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6XG7
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![BU of 6xg7 by Molmil](/molmil-images/mine/6xg7) | 1.3 A Resolution Structure of the of the NHL Repeat Region of D. melanogaster Thin | Descriptor: | SULFATE ION, TETRAETHYLENE GLYCOL, Thin, ... | Authors: | Kashipathy, M.M, Lovell, S, Battaile, K.P, Bawa, S, Geisbrecht, E.R. | Deposit date: | 2020-06-17 | Release date: | 2020-12-16 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Costameric integrin and sarcoglycan protein levels are altered in a Drosophila model for Limb-girdle muscular dystrophy type 2H. Mol.Biol.Cell, 32, 2021
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6XIF
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![BU of 6xif by Molmil](/molmil-images/mine/6xif) | PCSK9(deltaCRD) in complex with cyclic peptide 83 | Descriptor: | GLYCEROL, Peptide 83, Proprotein convertase subtilisin/kexin type 9 | Authors: | Orth, P. | Deposit date: | 2020-06-19 | Release date: | 2020-11-18 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.774 Å) | Cite: | Series of Novel and Highly Potent Cyclic Peptide PCSK9 Inhibitors Derived from an mRNA Display Screen and Optimized via Structure-Based Design. J.Med.Chem., 63, 2020
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6X82
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![BU of 6x82 by Molmil](/molmil-images/mine/6x82) | Crystal Structure of TNFalpha with isoquinoline compound 4 | Descriptor: | 8-[4-(2-{5-[(4-methylpiperazin-1-yl)methyl]-2-(1H-pyrrolo[3,2-c]pyridin-3-yl)phenoxy}ethyl)phenyl]isoquinoline, Tumor necrosis factor | Authors: | Longenecker, K.L, Stoll, V.S. | Deposit date: | 2020-06-01 | Release date: | 2021-01-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Development of Orally Efficacious Allosteric Inhibitors of TNF alpha via Fragment-Based Drug Design. J.Med.Chem., 64, 2021
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6X86
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![BU of 6x86 by Molmil](/molmil-images/mine/6x86) | Crystal Structure of TNFalpha with indolinone compound 11 | Descriptor: | 3-[(6-{2-[(3R)-4-(hydroxyacetyl)-3-methylpiperazin-1-yl]pyrimidin-5-yl}-2,2-dimethyl-3-oxo-2,3-dihydro-1H-indol-1-yl)methyl]pyridine-2-carbonitrile, Tumor necrosis factor | Authors: | Longenecker, K.L, Stoll, V.S. | Deposit date: | 2020-06-01 | Release date: | 2021-01-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.93 Å) | Cite: | Development of Orally Efficacious Allosteric Inhibitors of TNF alpha via Fragment-Based Drug Design. J.Med.Chem., 64, 2021
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1T05
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![BU of 1t05 by Molmil](/molmil-images/mine/1t05) | HIV-1 reverse transcriptase crosslinked to template-primer with tenofovir-diphosphate bound as the incoming nucleotide substrate | Descriptor: | GLYCEROL, MAGNESIUM ION, POL polyprotein, ... | Authors: | Tuske, S, Sarafianos, S.G, Ding, J, Arnold, E. | Deposit date: | 2004-04-07 | Release date: | 2004-05-11 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structures of HIV-1 RT-DNA complexes before and after incorporation of the anti-AIDS drug tenofovir Nat.Struct.Mol.Biol., 11, 2004
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1LXY
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![BU of 1lxy by Molmil](/molmil-images/mine/1lxy) | Crystal Structure of Arginine Deiminase covalently linked with L-citrulline | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Arginine Deiminase, CITRULLINE | Authors: | Das, K, Buttler, G.H, Kwiatkowski, V, Yadav, P, Arnold, E. | Deposit date: | 2002-06-06 | Release date: | 2004-01-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of arginine deiminase with covalent reaction intermediates; implications for catalytic mechanism Structure, 12, 2004
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1LV2
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![BU of 1lv2 by Molmil](/molmil-images/mine/1lv2) | Hepatocyte Nuclear Factor 4 is a Transcription Factor that Constitutively Binds Fatty Acids | Descriptor: | Hepatocyte nuclear factor 4-gamma, PALMITIC ACID | Authors: | Wisely, B, Miller, A.B, Davis, R.G, Spitzer, T, Shearer, B, Moore, J.T, Johnson, R, Sefler, A, Willson, T.M, Williams, S.P. | Deposit date: | 2002-05-24 | Release date: | 2002-12-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Hepatocyte Nuclear Factor 4 Is a Transcription Factor
that Constitutively Binds Fatty Acids. Structure, 10, 2002
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1SPD
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1T03
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![BU of 1t03 by Molmil](/molmil-images/mine/1t03) | HIV-1 reverse transcriptase crosslinked to tenofovir terminated template-primer (complex P) | Descriptor: | MAGNESIUM ION, POL polyprotein, Synthetic oligonucleotide primer, ... | Authors: | Tuske, S, Sarafianos, S.G, Ding, J, Arnold, E. | Deposit date: | 2004-04-07 | Release date: | 2004-05-11 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structure of HIV-1 RT-DNA complexes before and after incorporation of the anti-AIDS drug tenofovir Nat.Struct.Mol.Biol., 11, 2004
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3QA2
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![BU of 3qa2 by Molmil](/molmil-images/mine/3qa2) | X-ray Structure of ketohexokinase in complex with a pyrimidopyrimidine analog 2 | Descriptor: | Ketohexokinase, N~8~-(cyclopropylmethyl)-N~4~-(2-methylphenyl)-2-(piperazin-1-yl)pyrimido[5,4-d]pyrimidine-4,8-diamine, SULFATE ION | Authors: | Abad, M.C. | Deposit date: | 2011-01-10 | Release date: | 2012-01-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.519 Å) | Cite: | Inhibitors of Ketohexokinase: Discovery of Pyrimidinopyrimidines with Specific Substitution that Complements the ATP-Binding Site. ACS Med Chem Lett, 2, 2011
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3STR
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![BU of 3str by Molmil](/molmil-images/mine/3str) | Strep Peptide Deformylase with a time dependent thiazolidine hydroxamic acid | Descriptor: | (4R)-3-(4-[4-(2-chlorophenyl)piperazin-1-yl]-6-{[2-methyl-6-(methylcarbamoyl)phenyl]amino}-1,3,5-triazin-2-yl)-N-[2-(hydroxyamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxamide, GLYCEROL, NICKEL (II) ION, ... | Authors: | Campobasso, N, Ward, P. | Deposit date: | 2011-07-11 | Release date: | 2011-07-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Understanding the origins of time-dependent inhibition by polypeptide deformylase inhibitors. Biochemistry, 50, 2011
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3T6D
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![BU of 3t6d by Molmil](/molmil-images/mine/3t6d) | Crystal Structure of the Reaction Centre from Blastochloris viridis strain DSM 133 (ATCC 19567) substrain-08 | Descriptor: | (2S,3R)-heptane-1,2,3-triol, 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, ... | Authors: | Roszak, A.W, Gardiner, A.T, Isaacs, N.W, Cogdell, R.J. | Deposit date: | 2011-07-28 | Release date: | 2011-11-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | New insights into the structure of the reaction centre from Blastochloris viridis: evolution in the laboratory. Biochem.J., 442, 2012
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3S7H
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![BU of 3s7h by Molmil](/molmil-images/mine/3s7h) | Structure of thrombin mutant Y225P in the E* form | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Prothrombin | Authors: | Niu, W, Chen, Z, Gandhi, P, Vogt, A, Pozzi, N, Pele, L.A, Zapata, F, Di Cera, E. | Deposit date: | 2011-05-26 | Release date: | 2011-07-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystallographic and Kinetic Evidence of Allostery in a Trypsin-like Protease. Biochemistry, 50, 2011
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3QUJ
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3QK6
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![BU of 3qk6 by Molmil](/molmil-images/mine/3qk6) | Crystal structure of Escherichia coli PhnD | Descriptor: | PhnD, subunit of alkylphosphonate ABC transporter, UNKNOWN LIGAND | Authors: | Alicea, I, Schreiter, E.R. | Deposit date: | 2011-01-31 | Release date: | 2011-10-12 | Last modified: | 2011-12-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of the Escherichia coli Phosphonate Binding Protein PhnD and Rationally Optimized Phosphonate Biosensors. J.Mol.Biol., 414, 2011
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3QGN
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![BU of 3qgn by Molmil](/molmil-images/mine/3qgn) | The allosteric E*-E equilibrium is a key property of the trypsin fold | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, IODIDE ION, ... | Authors: | Niu, W, Gohara, D, Chen, Z, Di Cera, E. | Deposit date: | 2011-01-24 | Release date: | 2011-07-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystallographic and kinetic evidence of allostery in a trypsin-like protease. Biochemistry, 50, 2011
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3S4U
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3SW8
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3SVJ
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![BU of 3svj by Molmil](/molmil-images/mine/3svj) | Strep Peptide Deformylase with a time dependent thiazolidine amide | Descriptor: | (4R)-3-(4-[4-(2-chlorophenyl)piperazin-1-yl]-6-{[2-methyl-6-(methylcarbamoyl)phenyl]amino}-1,3,5-triazin-2-yl)-N-methyl-1,3-thiazolidine-4-carboxamide, GLYCEROL, NICKEL (II) ION, ... | Authors: | Campobasso, N, Ward, P. | Deposit date: | 2011-07-12 | Release date: | 2011-07-27 | Last modified: | 2014-11-12 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Understanding the origins of time-dependent inhibition by polypeptide deformylase inhibitors. Biochemistry, 50, 2011
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3T6E
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![BU of 3t6e by Molmil](/molmil-images/mine/3t6e) | Crystal Structure of the Reaction Centre from Blastochloris viridis strain DSM 133 (ATCC 19567) substrain-94 | Descriptor: | 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ... | Authors: | Roszak, A.W, Gardiner, A.T, Isaacs, N.W, Cogdell, R.J. | Deposit date: | 2011-07-28 | Release date: | 2011-11-23 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | New insights into the structure of the reaction centre from Blastochloris viridis: evolution in the laboratory. Biochem.J., 442, 2012
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3U9P
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![BU of 3u9p by Molmil](/molmil-images/mine/3u9p) | Crystal Structure of Murine Siderocalin in Complex with an Fab Fragment | Descriptor: | Monoclonal Fab Fragment Heavy Chain, Monoclonal Fab Fragment Light Chain, Neutrophil gelatinase-associated lipocalin | Authors: | Correnti, C, Strong, R.K. | Deposit date: | 2011-10-19 | Release date: | 2013-05-01 | Last modified: | 2018-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Siderocalin/Lcn2/NGAL/24p3 does not drive apoptosis through gentisic acid mediated iron withdrawal in hematopoietic cell lines. Plos One, 7, 2012
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3TDB
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![BU of 3tdb by Molmil](/molmil-images/mine/3tdb) | Human Pin1 bound to trans peptidomimetic inhibitor | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, N-[(1E,2R)-1-[(2R)-2-{[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl}cyclopentylidene]-3-(phosphonooxy)propan-2-yl]-L-phenylalaninamide, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Authors: | Zhang, M, Zhang, Y. | Deposit date: | 2011-08-10 | Release date: | 2012-06-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.267 Å) | Cite: | Structural and Kinetic Analysis of Prolyl-isomerization/Phosphorylation Cross-Talk in the CTD Code. Acs Chem.Biol., 7, 2012
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3TCZ
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![BU of 3tcz by Molmil](/molmil-images/mine/3tcz) | Human Pin1 bound to cis peptidomimetic inhibitor | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, N~2~-({(1R,2Z)-2-[(2R)-2-(formylamino)-3-(phosphonooxy)propylidene]cyclopentyl}carbonyl)-L-argininamide, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Authors: | Zhang, M, Zhang, Y. | Deposit date: | 2011-08-09 | Release date: | 2012-06-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and Kinetic Analysis of Prolyl-isomerization/Phosphorylation Cross-Talk in the CTD Code. Acs Chem.Biol., 7, 2012
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3UG9
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![BU of 3ug9 by Molmil](/molmil-images/mine/3ug9) | Crystal Structure of the Closed State of Channelrhodopsin | Descriptor: | Archaeal-type opsin 1, Archaeal-type opsin 2, OLEIC ACID, ... | Authors: | Kato, H.E, Ishitani, R, Nureki, O. | Deposit date: | 2011-11-02 | Release date: | 2012-01-25 | Last modified: | 2017-08-09 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of the channelrhodopsin light-gated cation channel Nature, 482, 2012
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