3QPO
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![BU of 3qpo by Molmil](/molmil-images/mine/3qpo) | Structure of PDE10-inhibitor complex | Descriptor: | 7-methoxy-4-[(3S)-3-phenylpiperidin-1-yl]-6-[2-(pyridin-2-yl)ethoxy]quinazoline, MAGNESIUM ION, SULFATE ION, ... | Authors: | Pandit, J, Marr, E.S. | Deposit date: | 2011-02-14 | Release date: | 2011-06-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Use of Structure-Based Design to Discover a Potent, Selective, In Vivo Active Phosphodiesterase 10A Inhibitor Lead Series for the Treatment of Schizophrenia. J.Med.Chem., 54, 2011
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3QL2
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3QLN
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![BU of 3qln by Molmil](/molmil-images/mine/3qln) | Crystal structure of ATRX ADD domain in free state | Descriptor: | Transcriptional regulator ATRX, ZINC ION | Authors: | Li, H, Patel, D.J. | Deposit date: | 2011-02-03 | Release date: | 2011-06-15 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.901 Å) | Cite: | ATRX ADD domain links an atypical histone methylation recognition mechanism to human mental-retardation syndrome Nat.Struct.Mol.Biol., 18, 2011
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3QLY
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![BU of 3qly by Molmil](/molmil-images/mine/3qly) | Candida glabrata dihydrofolate reductase complexed with NADPH and 6-methyl-5-[3-methyl-3-(3,4,5-trimethoxyphenyl)but-1-yn-1-yl]pyrimidine-2,4-diamine (UCP115A) | Descriptor: | 6-methyl-5-[3-methyl-3-(3,4,5-trimethoxyphenyl)but-1-yn-1-yl]pyrimidine-2,4-diamine, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Strain CBS138 chromosome J complete sequence | Authors: | Paulsen, J.L, Bendel, S.D, Anderson, A.C. | Deposit date: | 2011-02-03 | Release date: | 2011-07-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.519 Å) | Cite: | Crystal Structures of Candida albicans Dihydrofolate Reductase Bound to Propargyl-Linked Antifolates Reveal the Flexibility of Active Site Loop Residues Critical for Ligand Potency and Selectivity. Chem.Biol.Drug Des., 78, 2011
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3Q5J
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![BU of 3q5j by Molmil](/molmil-images/mine/3q5j) | Crystal structure of the amino-terminal domain of HSP90 from Leishmania major, LMJF33.0312:M1-K213 in the presence of 17-DMAP-geldanamycin | Descriptor: | (4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-{[3-(dimethylamino)propyl]amino}-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate, Heat shock protein 83-1 | Authors: | Wernimont, A.K, Tempel, W, Lin, Y.H, Hutchinson, A, MacKenzie, F, Fairlamb, A, Cossar, D, Zhao, Y, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Ferguson, M.A.J, Hui, R, Pizarro, J.C, Hills, T, Structural Genomics Consortium (SGC) | Deposit date: | 2010-12-28 | Release date: | 2011-02-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of the amino-terminal domain of HSP90 from Leishmania major, LMJF33.0312:M1-K213 in the presence of 17-DMAP-geldanamycin. To be Published
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3QQS
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![BU of 3qqs by Molmil](/molmil-images/mine/3qqs) | Anthranilate phosphoribosyltransferase (TRPD) from Mycobacterium tuberculosis (complex with inhibitor ACS172) | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, 2,2'-iminodibenzoic acid, Anthranilate phosphoribosyltransferase, ... | Authors: | Castell, A, Short, F.L, Lott, J.S, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2011-02-16 | Release date: | 2012-08-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | The Substrate Capture Mechanism of Mycobacterium tuberculosis Anthranilate Phosphoribosyltransferase Provides a Mode for Inhibition. Biochemistry, 52, 2013
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3Q74
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![BU of 3q74 by Molmil](/molmil-images/mine/3q74) | Crystal Structure Analysis of the L7A Mutant of the Apo Form of Human Alpha Class Glutathione Transferase | Descriptor: | Glutathione S-transferase A1 | Authors: | Fanucchi, S, Achilonu, I.A, Khoza, T.N, Fernandes, M.A, Gildenhuys, S, Dirr, H.W. | Deposit date: | 2011-01-04 | Release date: | 2011-01-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Crystal Structure Analysis of the L7A Mutant of the Apo Form of Human Alpha Class Glutathione Transferase To be Published
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3Q8E
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![BU of 3q8e by Molmil](/molmil-images/mine/3q8e) | Crystal structure of Protective Antigen W346F (pH 8.5) | Descriptor: | CALCIUM ION, Protective antigen | Authors: | Lovell, S, Battaile, K.P, Rajapaksha, M, Janowiak, B.E, Andra, K.K, Bann, J.G. | Deposit date: | 2011-01-06 | Release date: | 2012-02-15 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.098 Å) | Cite: | pH effects on binding between the anthrax protective antigen and the host cellular receptor CMG2. Protein Sci., 21, 2012
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3Q9W
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3QST
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3QAW
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3QEH
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![BU of 3qeh by Molmil](/molmil-images/mine/3qeh) | Crystal structure of human N12-i15, an ADCC and non-neutralizing anti-HIV-1 Env antibody | Descriptor: | CHLORIDE ION, Fab fragment of human anti-HIV-1 Env antibody N12-i15, heavy chain, ... | Authors: | Guan, Y, DeVico, A.L, Lewis, G.K, Pazgier, M. | Deposit date: | 2011-01-20 | Release date: | 2012-01-25 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Crystal structure of human N12-i15, an ADCC and non-neutralizing anti-HIV-1 Env antibody To be Published
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3QFD
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3QGP
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3QS9
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3QID
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![BU of 3qid by Molmil](/molmil-images/mine/3qid) | Crystal structures and functional analysis of murine norovirus RNA-dependent RNA polymerase | Descriptor: | GLYCEROL, MANGANESE (III) ION, RNA dependent RNA polymerase, ... | Authors: | Kim, K.H, Intekhab, A, Lee, J.H. | Deposit date: | 2011-01-27 | Release date: | 2011-12-21 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structures of murine norovirus-1 RNA-dependent RNA polymerase. J.Gen.Virol., 92, 2011
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3QUG
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![BU of 3qug by Molmil](/molmil-images/mine/3qug) | Structure of heme transport protein IsdH-NEAT3 from S. aureus in complex with Gallium-porphyrin | Descriptor: | GLYCEROL, Iron-regulated surface determinant protein H, PROTOPORPHYRIN IX CONTAINING GA, ... | Authors: | Moriwaki, Y, Caaveiro, J.M.M, Tsumoto, K. | Deposit date: | 2011-02-24 | Release date: | 2011-03-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Molecular basis of recognition of antibacterial porphyrins by heme-transporter IsdH-NEAT3 of Staphylococcus aureus. Biochemistry, 50, 2011
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3QJZ
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![BU of 3qjz by Molmil](/molmil-images/mine/3qjz) | Crystal structure of PI3K-gamma in complex with benzothiazole 1 | Descriptor: | N-{6-[2-(methylsulfanyl)pyrimidin-4-yl]-1,3-benzothiazol-2-yl}acetamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | Deposit date: | 2011-01-31 | Release date: | 2011-03-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Discovery and Optimization of a Series of Benzothiazole Phosphoinositide 3-Kinase (PI3K)/Mammalian Target of Rapamycin (mTOR) Dual Inhibitors. J.Med.Chem., 54, 2011
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3QUH
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3QL9
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3QLH
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![BU of 3qlh by Molmil](/molmil-images/mine/3qlh) | HIV-1 Reverse Transcriptase in Complex with Manicol at the RNase H Active Site and TMC278 (Rilpivirine) at the NNRTI Binding Pocket | Descriptor: | (2S)-5,7-dihydroxy-9-methyl-2-(prop-1-en-2-yl)-1,2,3,4-tetrahydro-6H-benzo[7]annulen-6-one, 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, ... | Authors: | Himmel, D.M, Wojtak, K, Bauman, J.D, Arnold, E. | Deposit date: | 2011-02-02 | Release date: | 2011-12-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Synthesis, activity, and structural analysis of novel alpha-hydroxytropolone inhibitors of human immunodeficiency virus reverse transcriptase-associated ribonuclease H. J.Med.Chem., 54, 2011
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3QW1
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3QWE
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![BU of 3qwe by Molmil](/molmil-images/mine/3qwe) | Crystal structure of the N-terminal domain of the GEM interacting protein | Descriptor: | GEM-interacting protein, UNKNOWN ATOM OR ION | Authors: | Guan, X, Tempel, W, Tong, Y, Shen, L, Wang, H, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2011-02-28 | Release date: | 2011-03-23 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of the N-terminal domain of the GEM interacting protein to be published
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3QWU
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![BU of 3qwu by Molmil](/molmil-images/mine/3qwu) | Putative ATP-dependent DNA ligase from Aquifex aeolicus. | Descriptor: | ADENOSINE, CALCIUM ION, DNA ligase, ... | Authors: | Osipiuk, J, Quartey, P, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2011-02-28 | Release date: | 2011-03-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Putative ATP-dependent DNA ligase from Aquifex aeolicus. To be Published
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3QO1
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![BU of 3qo1 by Molmil](/molmil-images/mine/3qo1) | Monoclinic form of IgG1 Fab fragment (apo form) sharing same Fv as IgA | Descriptor: | Fab fragment of IMMUNOGLOBULIN G1 HEAVY CHAIN, Fab fragment of IMMUNOGLOBULIN G1 LIGHT CHAIN, GLYCEROL | Authors: | Trajtenberg, F, Correa, A, Buschiazzo, A. | Deposit date: | 2011-02-09 | Release date: | 2012-02-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of a human IgA1 Fab fragment at 1.55 angstrom resolution: potential effect of the constant domains on antigen-affinity modulation Acta Crystallogr.,Sect.D, 69, 2013
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