4FT2
 
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1YKC
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6KYA
 | | Crystal structure of human TLR8 in complex TH1027 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[5-methylsulfanyl-4-(3,4,5-trimethylphenyl)-1,2,4-triazol-3-yl]propan-1-ol, ... | | Authors: | Tanji, H, Sakaniwa, K, Ohto, U, Shimizu, T. | | Deposit date: | 2019-09-17 | | Release date: | 2020-05-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Rationally Designed Small-Molecule Inhibitors Targeting an Unconventional Pocket on the TLR8 Protein-Protein Interface.
J.Med.Chem., 63, 2020
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1FVM
 | | Complex of vancomycin with DI-acetyl-LYS-D-ALA-D-ALA | | Descriptor: | DI-ACETYL-LYS-D-ALA-D-ALA, VANCOMYCIN, vancosamine-(1-2)-beta-D-glucopyranose | | Authors: | Nitanai, Y, Kakoi, K, Aoki, K. | | Deposit date: | 2000-09-20 | | Release date: | 2000-11-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structures of the Complexes between Vancomycin and Cell-Wall Precursor Analogs.
J.Mol.Biol., 385, 2009
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5T37
 | | crystal structure of mPGES-1 bound to inhibitor | | Descriptor: | 2-chloro-5-{[(2,2-dimethylpropanoyl)amino]methyl}-N-(1H-imidazol-2-yl)benzamide, GLUTATHIONE, Prostaglandin E synthase, ... | | Authors: | Luz, J.G, Antonysamy, S, Partridge, K, Fisher, M. | | Deposit date: | 2016-08-24 | | Release date: | 2017-03-01 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.761 Å) | | Cite: | Discovery and characterization of [(cyclopentyl)ethyl]benzoic acid inhibitors of microsomal prostaglandin E synthase-1.
Bioorg. Med. Chem. Lett., 27, 2017
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4R5V
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4R7M
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3DJ4
 | | Crystal Structure of GlmU from Mycobacterium tuberculosis in complex with URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE. | | Descriptor: | Bifunctional protein glmU, COBALT (II) ION, MAGNESIUM ION, ... | | Authors: | Verma, S.K, Prakash, B. | | Deposit date: | 2008-06-22 | | Release date: | 2009-05-19 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | PknB-mediated phosphorylation of a novel substrate, N-acetylglucosamine-1-phosphate uridyltransferase, modulates its acetyltransferase activity.
J.Mol.Biol., 386, 2009
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4M7C
 | | Crystal structure of the TRF2-binding motif of SLX4 in complex with the TRFH domain of TRF2 | | Descriptor: | Peptide from Structure-specific endonuclease subunit SLX4, Telomeric repeat-binding factor 2 | | Authors: | Wan, B, Chen, Y, Wu, J, Liu, Y, Lei, M. | | Deposit date: | 2013-08-12 | | Release date: | 2013-09-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | SLX4 Assembles a Telomere Maintenance Toolkit by Bridging Multiple Endonucleases with Telomeres
Cell Rep, 4, 2013
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1F9I
 | | CRYSTAL STRUCTURE OF THE PHOTOACTIVE YELLOW PROTEIN MUTANT Y42F | | Descriptor: | 4'-HYDROXYCINNAMIC ACID, PHOTOACTIVE YELLOW PROTEIN | | Authors: | Brudler, R, Meyer, T.E, Genick, U.K, Tollin, G, Getzoff, E.D. | | Deposit date: | 2000-07-10 | | Release date: | 2000-07-21 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Coupling of hydrogen bonding to chromophore conformation and function in photoactive yellow protein.
Biochemistry, 39, 2000
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2J16
 | | Apo & Sulphate bound forms of SDP-1 | | Descriptor: | MAGNESIUM ION, SULFATE ION, TYROSINE-PROTEIN PHOSPHATASE YIL113W | | Authors: | Briggs, D.C, McDonald, N.Q. | | Deposit date: | 2006-08-09 | | Release date: | 2007-05-22 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Redox-mediated substrate recognition by Sdp1 defines a new group of tyrosine phosphatases.
Nature, 447, 2007
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4LR6
 | | Structure of BRD4 bromodomain 1 with a 3-methyl-4-phenylisoxazol-5-amine fragment | | Descriptor: | 3-methyl-4-phenyl-1,2-oxazol-5-amine, Bromodomain-containing protein 4, FORMIC ACID | | Authors: | Jayaram, H, Poy, F, Gehling, V, Hewitt, M, Vaswani, R, Leblanc, Y, Cote, A, Nasveschuk, C, Taylor, A, Harmange, J.-C, Audia, J, Pardo, E, Joshi, S, Sandy, P, Mertz, J, Sims, R, Bergeron, L, Bryant, B, Ravichandran, S, Yellapuntala, S, Nandana, B.S, Birudukota, S, Albrecht, B, Bellon, S. | | Deposit date: | 2013-07-19 | | Release date: | 2013-08-07 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | Discovery, Design, and Optimization of Isoxazole Azepine BET Inhibitors.
ACS Med Chem Lett, 4, 2013
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2I4X
 | | HIV-1 Protease I84V, L90M with GS-8374 | | Descriptor: | DIETHYL ({4-[(2S,3R)-2-({[(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YLOXY]CARBONYL}AMINO)-3-HYDROXY-4-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}BUTYL]PHENOXY}METHYL)PHOSPHONATE, Protease | | Authors: | Hatada, M. | | Deposit date: | 2006-08-22 | | Release date: | 2007-08-28 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Suppression of HIV-1 Protease Inhibitor Resistance by Phosphonate-mediated Solvent Anchoring.
J.Mol.Biol., 363, 2006
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3A5U
 | | Promiscuity and specificity in DNA binding to SSB: Insights from the structure of the Mycobacterium smegmatis SSB-ssDNA complex | | Descriptor: | DNA (31-MER), Single-stranded DNA-binding protein | | Authors: | Kaushal, P.S, Manjunath, G.P, Sekar, K, Muniyappa, K, Vijayan, M. | | Deposit date: | 2009-08-12 | | Release date: | 2010-08-18 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Promiscuity and specificity in DNA binding to SSB: Insights from the structure of the Mycobacterium smegmatis SSB-ssDNA complex.
To be Published, 2009
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1F98
 | | CRYSTAL STRUCTURE OF THE PHOTOACTIVE YELLOW PROTEIN MUTANT T50V | | Descriptor: | 4'-HYDROXYCINNAMIC ACID, PHOTOACTIVE YELLOW PROTEIN | | Authors: | Brudler, R, Meyer, T.E, Genick, U.K, Tollin, G, Getzoff, E.D. | | Deposit date: | 2000-07-07 | | Release date: | 2000-07-21 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Coupling of hydrogen bonding to chromophore conformation and function in photoactive yellow protein.
Biochemistry, 39, 2000
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2J17
 | | pTyr bound form of SDP-1 | | Descriptor: | MAGNESIUM ION, O-PHOSPHOTYROSINE, TYROSINE-PROTEIN PHOSPHATASE YIL113W | | Authors: | Briggs, D.C, McDonald, N.Q. | | Deposit date: | 2006-08-09 | | Release date: | 2007-05-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Redox-mediated substrate recognition by Sdp1 defines a new group of tyrosine phosphatases.
Nature, 447, 2007
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7VQQ
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4J3Y
 | | Crystal structure of XIAP-BIR2 domain | | Descriptor: | E3 ubiquitin-protein ligase XIAP, ZINC ION | | Authors: | Lukacs, C.M, Janson, C.A. | | Deposit date: | 2013-02-06 | | Release date: | 2013-09-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | The structure of XIAP BIR2: understanding the selectivity of the BIR domains.
Acta Crystallogr.,Sect.D, 69, 2013
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5EVO
 | | Structure of Dehydroascrobate Reductase from Pennisetum Americanum in complex with two non-native ligands, Acetate in the G-site and Glycerol in the H-site | | Descriptor: | ACETATE ION, Dehydroascorbate reductase, GLYCEROL | | Authors: | Kumar, A.O, Das, B.K, Arockiasamy, A. | | Deposit date: | 2015-11-20 | | Release date: | 2016-05-04 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Non-native ligands define the active site of Pennisetum glaucum (L.) R. Br dehydroascorbate reductase.
Biochem.Biophys.Res.Commun., 473, 2016
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4J48
 | | Crystal structure of XIAP-BIR2 domain with AMRV bound | | Descriptor: | E3 ubiquitin-protein ligase XIAP, GLYCEROL, PEPTIDE (ALA-MET-ARG-VAL), ... | | Authors: | Gosu, R. | | Deposit date: | 2013-02-06 | | Release date: | 2013-09-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The structure of XIAP BIR2: understanding the selectivity of the BIR domains.
Acta Crystallogr.,Sect.D, 69, 2013
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4J46
 | | Crystal structure of XIAP-BIR2 domain with AVPI bound | | Descriptor: | E3 ubiquitin-protein ligase XIAP, PEPTIDE (ALA-VAL-PRO-ILE), ZINC ION | | Authors: | Lukacs, C.M, Janson, C.A. | | Deposit date: | 2013-02-06 | | Release date: | 2013-09-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | The structure of XIAP BIR2: understanding the selectivity of the BIR domains.
Acta Crystallogr.,Sect.D, 69, 2013
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4IX8
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4J44
 | | Crystal structure of XIAP-BIR2 domain with AIAV bound | | Descriptor: | E3 ubiquitin-protein ligase XIAP, PEPTIDE (ALA-ILE-ALA-VAL), ZINC ION | | Authors: | Lukacs, C.M, Janson, C.A. | | Deposit date: | 2013-02-06 | | Release date: | 2013-09-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | The structure of XIAP BIR2: understanding the selectivity of the BIR domains.
Acta Crystallogr.,Sect.D, 69, 2013
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5GVN
 | | Plasmodium vivax SHMT bound with PLP-glycine and GS653 | | Descriptor: | 3-[3-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-fluoranyl-phenyl]phenyl]propanoic acid, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ... | | Authors: | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G. | | Deposit date: | 2016-09-06 | | Release date: | 2017-07-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Antimalarial Inhibitors Targeting Serine Hydroxymethyltransferase (SHMT) with in Vivo Efficacy and Analysis of their Binding Mode Based on X-ray Cocrystal Structures
J. Med. Chem., 60, 2017
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3G7L
 | | Chromodomain of Chp1 in complex with Histone H3K9me3 peptide | | Descriptor: | ACETIC ACID, Chromo domain-containing protein 1, Histone H3.1/H3.2, ... | | Authors: | Schalch, T, Joshua-Tor, L. | | Deposit date: | 2009-02-10 | | Release date: | 2009-04-21 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | High-affinity binding of Chp1 chromodomain to K9 methylated histone H3 is required to establish centromeric heterochromatin
Mol.Cell, 34, 2009
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