4GCM
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4DKO
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![BU of 4dko by Molmil](/molmil-images/mine/4dko) | Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with TS-II-224 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HIV-1 gp120 core, ... | Authors: | Kwon, Y.D, LaLonde, J.M, Jones, D.M, Sun, A.W, Courter, J.R, Soeta, T, Kobayashi, T, Princiotto, A.M, Wu, X, Mascola, J, Schon, A, Freire, E, Sodroski, J, Madani, N, Smith III, A.B, Kwong, P.D. | Deposit date: | 2012-02-03 | Release date: | 2012-05-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.981 Å) | Cite: | Structure-Based Design, Synthesis, and Characterization of Dual Hotspot Small-Molecule HIV-1 Entry Inhibitors. J.Med.Chem., 55, 2012
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4DL4
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![BU of 4dl4 by Molmil](/molmil-images/mine/4dl4) | Human DNA polymerase eta inserting dCMPNPP opposite the 3'G of cisplatin crosslinked Gs (Pt-GG1). | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, Cisplatin, DNA (5'-D(*TP*AP*GP*TP*GP*TP*GP*AP*G)-3'), ... | Authors: | Zhao, Y, Biertumpfel, C, Gregory, M, Hua, Y.-J, Hanaoka, F, Yang, W. | Deposit date: | 2012-02-05 | Release date: | 2012-05-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Basis for Chemoresistance to Cisplatin Mediated by DNA Polymerase eta Proc.Natl.Acad.Sci.USA, 109, 2012
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4DGG
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![BU of 4dgg by Molmil](/molmil-images/mine/4dgg) | c-SRC kinase domain in complex with RM-1-176 | Descriptor: | 3-{6-[(3-chlorobenzyl)oxy]naphthalen-2-yl}-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src | Authors: | Merritt, E.A, Larson, E.T. | Deposit date: | 2012-01-25 | Release date: | 2012-10-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Active site profiling reveals coupling between domains in SRC-family kinases. Nat.Chem.Biol., 9, 2013
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4DNA
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![BU of 4dna by Molmil](/molmil-images/mine/4dna) | CRYSTAL STRUCTURE OF putative glutathione reductase from Sinorhizobium meliloti 1021 | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Probable glutathione reductase | Authors: | Malashkevich, V.N, Bhosle, R, Toro, R, Seidel, R, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2012-02-08 | Release date: | 2012-03-21 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | CRYSTAL STRUCTURE OF putative glutathione reductase from Sinorhizobium meliloti 1021 To be Published
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4DHM
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![BU of 4dhm by Molmil](/molmil-images/mine/4dhm) | Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, GLYCEROL, ... | Authors: | Thiel, P, Roeglin, L, Kohlbacher, O, Ottmann, C. | Deposit date: | 2012-01-30 | Release date: | 2013-07-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions. Chem.Commun.(Camb.), 49, 2013
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4DPG
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![BU of 4dpg by Molmil](/molmil-images/mine/4dpg) | Crystal Structure of Human LysRS: P38/AIMP2 Complex I | Descriptor: | ALANINE, Aminoacyl tRNA synthase complex-interacting multifunctional protein 2, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ... | Authors: | Fang, P, Wang, J, Bennett, S.P, Guo, M. | Deposit date: | 2012-02-13 | Release date: | 2013-02-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.844 Å) | Cite: | Structural Switch of Lysyl-tRNA Synthetase between Translation and Transcription. Mol.Cell, 49, 2013
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4DHT
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![BU of 4dht by Molmil](/molmil-images/mine/4dht) | Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening | Descriptor: | 14-3-3 PROTEIN SIGMA, CHLORIDE ION, GLYCEROL, ... | Authors: | Thiel, P, Roeglin, L, Kohlbacher, O, Ottmann, C. | Deposit date: | 2012-01-30 | Release date: | 2013-07-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions. Chem.Commun.(Camb.), 49, 2013
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4DI4
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![BU of 4di4 by Molmil](/molmil-images/mine/4di4) | Crystal structure of a 3:1 complex of Treponema pallidum TatP(T) (Tp0957) bound to TatT (Tp0956) | Descriptor: | TETRAETHYLENE GLYCOL, TRIETHYLENE GLYCOL, TatP(T) (Tp0957), ... | Authors: | Brautigam, C.A, Deka, R.K, Norgard, M.V. | Deposit date: | 2012-01-30 | Release date: | 2012-05-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.714 Å) | Cite: | Structural and Thermodynamic Characterization of the Interaction between Two Periplasmic Treponema pallidum Lipoproteins that are Components of a TPR-Protein-Associated TRAP Transporter (TPAT). J.Mol.Biol., 420, 2012
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4DKT
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![BU of 4dkt by Molmil](/molmil-images/mine/4dkt) | Crystal structure of human peptidylarginine deiminase 4 in complex with N-acetyl-L-threonyl-L-alpha-aspartyl-N5-[(1E)-2-fluoroethanimidoyl]-L-ornithinamide | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Protein-arginine deiminase type-4, ... | Authors: | Jones, J.E, Slack, J.L, Fang, P, Zhang, X, Subramanian, V, Causey, C.P, Coonrod, S.A, Guo, M, Thompson, P.R. | Deposit date: | 2012-02-04 | Release date: | 2012-02-29 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.98 Å) | Cite: | Synthesis and Screening of a Haloacetamidine Containing Library To Identify PAD4 Selective Inhibitors. Acs Chem.Biol., 7, 2012
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4DL3
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![BU of 4dl3 by Molmil](/molmil-images/mine/4dl3) | Human DNA polymerase eta inserting dCMPNPP opposite GG template (GG0b). | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DNA (5'-D(*TP*AP*CP*GP*GP*TP*CP*AP*CP*AP*CP*T)-3'), DNA (5'-D(*TP*AP*GP*TP*GP*TP*GP*AP*C)-3'), ... | Authors: | Zhao, Y, Biertumpfel, C, Gregory, M, Hua, Y, Hanaoka, F, Yang, W. | Deposit date: | 2012-02-05 | Release date: | 2012-05-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Basis for Chemoresistance to Cisplatin Mediated by DNA Polymerase eta Proc.Natl.Acad.Sci.USA, 109, 2012
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4DVC
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![BU of 4dvc by Molmil](/molmil-images/mine/4dvc) | Structural and functional studies of TcpG, the Vibrio cholerae DsbA disulfide-forming protein required for pilus and cholera toxin production | Descriptor: | DIMETHYL SULFOXIDE, SULFATE ION, Thiol:disulfide interchange protein DsbA | Authors: | Walden, P.M, Martin, J.L. | Deposit date: | 2012-02-23 | Release date: | 2012-10-31 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | The 1.2 A resolution crystal structure of TcpG, the Vibrio cholerae DsbA disulfide-forming protein required for pilus and cholera-toxin production Acta Crystallogr.,Sect.D, 68, 2012
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4DN9
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![BU of 4dn9 by Molmil](/molmil-images/mine/4dn9) | CRYSTAL STRUCTURE OF putative Antibiotic biosynthesis monooxygenase from Chloroflexus aurantiacus J-10-fl | Descriptor: | 1,4-DIETHYLENE DIOXIDE, Antibiotic biosynthesis monooxygenase, SULFATE ION | Authors: | Malashkevich, V.N, Bhosle, R, Toro, R, Seidel, R, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2012-02-08 | Release date: | 2012-02-22 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | CRYSTAL STRUCTURE OF putative Antibiotic biosynthesis monooxygenase from Chloroflexus aurantiacus J-10-fl To be Published
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4DX9
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![BU of 4dx9 by Molmil](/molmil-images/mine/4dx9) | ICAP1 in complex with integrin beta 1 cytoplasmic tail | Descriptor: | Integrin beta-1, Integrin beta-1-binding protein 1 | Authors: | Liu, W, Draheim, K, Zhang, R, Calderwood, D.A, Boggon, T.J. | Deposit date: | 2012-02-27 | Release date: | 2013-01-09 | Last modified: | 2020-09-02 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Mechanism for KRIT1 Release of ICAP1-Mediated Suppression of Integrin Activation. Mol.Cell, 49, 2013
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4DA8
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![BU of 4da8 by Molmil](/molmil-images/mine/4da8) | Crystal structure of the hexameric purine nucleoside phosphorylase from Bacillus subtilis in complex with 8-bromoguanosine | Descriptor: | 8-bromoguanosine, Purine nucleoside phosphorylase deoD-type | Authors: | Martins, N.H, Giuseppe, P.O, Meza, A.N, Murakami, M.T. | Deposit date: | 2012-01-12 | Release date: | 2012-09-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Insights into phosphate cooperativity and influence of substrate modifications on binding and catalysis of hexameric purine nucleoside phosphorylases. Plos One, 7, 2012
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4DAF
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![BU of 4daf by Molmil](/molmil-images/mine/4daf) | Crystal structure of B. anthracis DHPS with compound 19 | Descriptor: | (2R)-2-(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)propanoic acid, Dihydropteroate Synthase, SULFATE ION | Authors: | Hammoudeh, D, Lee, R.E, White, S.W. | Deposit date: | 2012-01-12 | Release date: | 2012-04-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.501 Å) | Cite: | Structure-Based Design of Novel Pyrimido[4,5-c]pyridazine Derivatives as Dihydropteroate Synthase Inhibitors with Increased Affinity. Chemmedchem, 7, 2012
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4DAU
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4DPY
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4DQC
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![BU of 4dqc by Molmil](/molmil-images/mine/4dqc) | Crystal Structure of (G16C/L38C) HIV-1 Protease in Complex with DRV | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Aspartyl protease, GLYCEROL, ... | Authors: | Schiffer, C.A, Mittal, S. | Deposit date: | 2012-02-15 | Release date: | 2012-03-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Hydrophobic core flexibility modulates enzyme activity in HIV-1 protease. J.Am.Chem.Soc., 134, 2012
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4DQI
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![BU of 4dqi by Molmil](/molmil-images/mine/4dqi) | Ternary complex of Bacillus DNA Polymerase I Large Fragment, DNA duplex, and dCTP (paired with dG of template) | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, DNA (5'-D(*C*AP*TP*GP*GP*GP*AP*GP*TP*CP*AP*GP*G)-3'), DNA (5'-D(*CP*CP*TP*GP*AP*CP*TP*CP*(DOC))-3'), ... | Authors: | Wang, W, Beese, L.S. | Deposit date: | 2012-02-15 | Release date: | 2012-06-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Structural factors that determine selectivity of a high fidelity DNA polymerase for deoxy-, dideoxy-, and ribonucleotides. J.Biol.Chem., 287, 2012
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4DRN
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![BU of 4drn by Molmil](/molmil-images/mine/4drn) | EVALUATION OF SYNTHETIC FK506 ANALOGS AS LIGANDS FOR FKBP51 AND FKBP52: COMPLEX OF FKBP51 WITH {3-[(1R)-3-(3,4-dimethoxyphenyl)-1-({[(2S)-1-{[(1S,2R)-2-ethyl-1-hydroxycyclohexyl](oxo)acetyl}piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP5, {3-[(1R)-3-(3,4-dimethoxyphenyl)-1-({[(2S)-1-{[(1S,2R)-2-ethyl-1-hydroxycyclohexyl](oxo)acetyl}piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid | Authors: | Gopalakrishnan, R, Kozany, C, Gaali, S, Kress, C, Hoogeland, B, Bracher, A, Hausch, F. | Deposit date: | 2012-02-17 | Release date: | 2012-05-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.069 Å) | Cite: | Evaluation of Synthetic FK506 Analogues as Ligands for the FK506-Binding Proteins 51 and 52. J.Med.Chem., 55, 2012
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4DS5
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![BU of 4ds5 by Molmil](/molmil-images/mine/4ds5) | Ternary complex of Bacillus DNA Polymerase I Large Fragment, DNA duplex, and rCTP in presence of Mg2+ | Descriptor: | DNA (5'-D(*CP*AP*TP*GP*GP*GP*AP*GP*TP*CP*AP*GP*G)-3'), DNA (5'-D(*CP*CP*TP*GP*AP*CP*TP*CP*C)-3'), DNA polymerase, ... | Authors: | Wang, W, Beese, L.S. | Deposit date: | 2012-02-17 | Release date: | 2012-06-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Structural factors that determine selectivity of a high fidelity DNA polymerase for deoxy-, dideoxy-, and ribonucleotides. J.Biol.Chem., 287, 2012
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4DGD
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![BU of 4dgd by Molmil](/molmil-images/mine/4dgd) | TRIMCyp cyclophilin domain from Macaca mulatta: H70C mutant | Descriptor: | GLYCEROL, TRIMCyp | Authors: | Caines, M.E.C, Bichel, K, Price, A.J, McEwan, W.A, James, L.C. | Deposit date: | 2012-01-25 | Release date: | 2012-02-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Diverse HIV viruses are targeted by a conformationally dynamic antiviral. Nat.Struct.Mol.Biol., 19, 2012
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4DU7
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4DUZ
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![BU of 4duz by Molmil](/molmil-images/mine/4duz) | Crystal structure of the Thermus thermophilus 30S ribosomal subunit with a 16S rRNA mutation, U13C, bound with streptomycin | Descriptor: | 16S rRNA, MAGNESIUM ION, STREPTOMYCIN, ... | Authors: | Demirci, H, Murphy IV, F, Murphy, E, Gregory, S.T, Dahlberg, A.E, Jogl, G. | Deposit date: | 2012-02-22 | Release date: | 2013-02-27 | Method: | X-RAY DIFFRACTION (3.651 Å) | Cite: | A structural basis for streptomycin resistance To be Published
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