4DJH
| Structure of the human kappa opioid receptor in complex with JDTic | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (3R)-7-hydroxy-N-{(2S)-1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-3-methylbutan-2-yl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide, CITRIC ACID, ... | Authors: | Wu, H, Wacker, D, Katritch, V, Mileni, M, Han, G.W, Vardy, E, Liu, W, Thompson, A.A, Huang, X.P, Carroll, F.I, Mascarella, S.W, Westkaemper, R.B, Mosier, P.D, Roth, B.L, Cherezov, V, Stevens, R.C, GPCR Network (GPCR) | Deposit date: | 2012-02-01 | Release date: | 2012-03-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | tructure of the human kappa-opioid receptor in complex with JDTic Nature, 485, 2012
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1ZV8
| A structure-based mechanism of SARS virus membrane fusion | Descriptor: | ACETATE ION, CACODYLATE ION, E2 glycoprotein, ... | Authors: | Deng, Y, Liu, J, Zheng, Q, Yong, W, Dai, J, Lu, M. | Deposit date: | 2005-06-01 | Release date: | 2006-05-16 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Structures and Polymorphic Interactions of Two Heptad-Repeat Regions of the SARS Virus S2 Protein. Structure, 14, 2006
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5B6L
| Structure of Deg protease HhoA from Synechocystis sp. PCC 6803 | Descriptor: | Putative serine protease HhoA, SODIUM ION, UNK-UNK-UNK-UNK-TRP, ... | Authors: | Dong, W, Wang, J, Liu, L. | Deposit date: | 2016-05-30 | Release date: | 2016-09-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.801 Å) | Cite: | Crystal structure of the zinc-bound HhoA protease from Synechocystis sp. PCC 6803 Febs Lett., 590, 2016
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4LV9
| Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | Descriptor: | 1,2-ETHANEDIOL, 7-chloro-3-methyl-2H-1,2,4-benzothiadiazine 1,1-dioxide, Nicotinamide phosphoribosyltransferase, ... | Authors: | Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S. | Deposit date: | 2013-07-26 | Release date: | 2013-09-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.807 Å) | Cite: | Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT). Bioorg.Med.Chem.Lett., 23, 2013
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1ZR2
| Structure of a Synaptic gamma-delta Resolvase Tetramer Covalently Linked to two Cleaved DNAs | Descriptor: | AAA, TCAGTGTCCGATAATTTAT, TTATCGGACACTG, ... | Authors: | Li, W, Kamtekar, S, Xiong, Y, Sarkis, G.J, Grindley, N.D, Steitz, T.A. | Deposit date: | 2005-05-18 | Release date: | 2005-08-30 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (3.9 Å) | Cite: | Structure of a synaptic gamma delta resolvase tetramer covalently linked to two cleaved DNAs. Science, 309, 2005
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4DM6
| Crystal structure of RARb LBD homodimer in complex with TTNPB | Descriptor: | 4-[(1E)-2-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)PROP-1-ENYL]BENZOIC ACID, Nuclear receptor coactivator 1, Retinoic acid receptor beta | Authors: | Osz, J, Brelivet, Y, Peluso-Iltis, C, Cura, V, Eiler, S, Ruff, M, Bourguet, W, Rochel, N, Moras, D. | Deposit date: | 2012-02-07 | Release date: | 2012-03-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for a molecular allosteric control mechanism of cofactor binding to nuclear receptors. Proc.Natl.Acad.Sci.USA, 109, 2012
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4M56
| The Structure of Wild-type MalL from Bacillus subtilis | Descriptor: | D-glucose, GLYCEROL, Oligo-1,6-glucosidase 1, ... | Authors: | Hobbs, J.K, Jiao, W, Easter, A.D, Parker, E.J, Schipper, L.A, Arcus, V.L. | Deposit date: | 2013-08-08 | Release date: | 2013-10-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Change in heat capacity for enzyme catalysis determines temperature dependence of enzyme catalyzed rates. Acs Chem.Biol., 8, 2013
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4DQ6
| Crystal structure of PLP-bound putative aminotransferase from Clostridium difficile 630 | Descriptor: | CHLORIDE ION, PYRIDOXAL-5'-PHOSPHATE, Putative pyridoxal phosphate-dependent transferase | Authors: | Shabalin, I.G, Onopriyenko, O, Kudritska, M, Chruszcz, M, Grimshaw, S, Porebski, P.J, Cooper, D.R, Savchenko, A, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2012-02-15 | Release date: | 2012-02-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structures of putative aminotransferase from Clostridium difficile
630 to be published
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4DST
| Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity | Descriptor: | 1,2-ETHANEDIOL, 2-(4,6-dichloro-2-methyl-1H-indol-3-yl)ethanamine, ACETATE ION, ... | Authors: | Oh, A, Maurer, T, Garrenton, L.S, Pitts, K, Anderson, D.J, Skelton, N.J, Fauber, B.P, Pan, B, Malek, S, Stokoe, D, Ludlam, M, Bowman, K.K, Wu, J, Giannetti, A.M, Starovasnik, M.A, Mellman, I, Jackson, P.K, Ruldolph, J, Fang, G, Wang, W. | Deposit date: | 2012-02-19 | Release date: | 2012-04-04 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity. Proc.Natl.Acad.Sci.USA, 109, 2012
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4DFK
| large fragment of DNA Polymerase I from Thermus aquaticus in a closed ternary complex with 5-(N-(10-hydroxydecanoyl)-aminopentinyl)-2-dUTP | Descriptor: | 1,2-ETHANEDIOL, 2'-deoxy-5-{5-[(10-hydroxydecanoyl)amino]pent-1-yn-1-yl}uridine 5'-(tetrahydrogen triphosphate), 5'-d(AAAAGGCGCCGTGGTC)-3', ... | Authors: | Bergen, K, Steck, A, Struett, S, Baccaro, A, Welte, W, Diederichs, K, Marx, A. | Deposit date: | 2012-01-24 | Release date: | 2012-05-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.647 Å) | Cite: | Structures of KlenTaq DNA Polymerase Caught While Incorporating C5-Modified Pyrimidine and C7-Modified 7-Deazapurine Nucleoside Triphosphates. J.Am.Chem.Soc., 134, 2012
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5AYC
| Crystal structure of Ruminococcus albus 4-O-beta-D-mannosyl-D-glucose phosphorylase (RaMP1) in complexes with sulfate and 4-O-beta-D-mannosyl-D-glucose | Descriptor: | 4-O-beta-D-mannosyl-D-glucose phosphorylase, SULFATE ION, beta-D-mannopyranose-(1-4)-beta-D-glucopyranose | Authors: | Ye, Y, Saburi, W, Kato, K, Yao, M. | Deposit date: | 2015-08-13 | Release date: | 2016-03-23 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural insights into the difference in substrate recognition of two mannoside phosphorylases from two GH130 subfamilies. Febs Lett., 590, 2016
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4DIX
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4DJB
| A Structural Basis for the Assembly and Functions of a Viral Polymer that Inactivates Multiple Tumor Suppressors | Descriptor: | E4-ORF3 | Authors: | Ou, H.D, Kwiatkowski, W, Deerinck, T.J, Noske, A, Blain, K.Y, Land, H.S, Soria, C, Powers, C.J, May, A.P, Shu, X, Tsien, R.Y, Fitzpatrick, J.A.J, Long, J.A, Ellisman, M.H, Choe, S, O'Shea, C.C. | Deposit date: | 2012-02-01 | Release date: | 2012-10-31 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2.053 Å) | Cite: | A Structural Basis for the Assembly and Functions of a Viral Polymer that Inactivates Multiple Tumor Suppressors. Cell(Cambridge,Mass.), 151, 2012
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1ZV7
| A structure-based mechanism of SARS virus membrane fusion | Descriptor: | CHLORIDE ION, spike glycoprotein | Authors: | Deng, Y, Liu, J, Zheng, Q, Yong, W, Dai, J, Lu, M. | Deposit date: | 2005-06-01 | Release date: | 2006-05-16 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structures and Polymorphic Interactions of Two Heptad-Repeat Regions of the SARS Virus S2 Protein. Structure, 14, 2006
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1ZXC
| Crystal structure of catalytic domain of TNF-alpha converting enzyme (TACE) with inhibitor | Descriptor: | (3S)-4-{[4-(BUT-2-YNYLOXY)PHENYL]SULFONYL}-N-HYDROXY-2,2-DIMETHYLTHIOMORPHOLINE-3-CARBOXAMIDE, ADAM 17, ZINC ION | Authors: | Levin, J.I, Chen, J.M, Laakso, L.M, Du, M, Schmid, J, Xu, W, Cummons, T, Xu, J, Zhang, Y, Jin, G, Cowling, R, Barone, D, Skotnicki, J.S. | Deposit date: | 2005-06-07 | Release date: | 2005-09-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Acetylenic TACE inhibitors. Part 2: SAR of six-membered cyclic sulfonamide hydroxamates. Bioorg.Med.Chem.Lett., 15, 2005
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4DL2
| Human DNA polymerase eta inserting dCMPNPP opposite CG template (GG0a) | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DNA (5'-D(*AP*CP*GP*GP*CP*TP*CP*AP*CP*AP*CP*T)-3'), DNA (5'-D(*TP*AP*GP*TP*GP*TP*GP*AP*G)-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 (2.15 Å) | Cite: | Structural Basis for Chemoresistance to Cisplatin Mediated by DNA Polymerase eta Proc.Natl.Acad.Sci.USA, 109, 2012
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4MG6
| Crystal structure of hERa-LBD (Y537S) in complex with benzylbutylphtalate | Descriptor: | Estrogen receptor, GLYCEROL, Nuclear receptor coactivator 1, ... | Authors: | Delfosse, V, Grimaldi, M, Bourguet, W. | Deposit date: | 2013-08-28 | Release date: | 2014-09-03 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and functional profiling of environmental ligands for estrogen receptors. Environ.Health Perspect., 122, 2014
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1ZR0
| Crystal Structure of Kunitz Domain 1 of Tissue Factor Pathway Inhibitor-2 with Bovine Trypsin | Descriptor: | CALCIUM ION, Cationic trypsin, Tissue factor pathway inhibitor 2 | Authors: | Schmidt, A.E, Chand, H.S, Cascio, D, Kisiel, W, Bajaj, S.P. | Deposit date: | 2005-05-18 | Release date: | 2005-06-07 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.802 Å) | Cite: | Crystal structure of Kunitz domain 1 (KD1) of tissue factor pathway inhibitor-2 in complex with trypsin. Implications for KD1 specificity of inhibition J.Biol.Chem., 280, 2005
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4LVF
| Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | Descriptor: | (1S,2S)-2-phenyl-N-(pyridin-4-yl)cyclopropanecarboxamide, 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, ... | Authors: | Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S. | Deposit date: | 2013-07-26 | Release date: | 2013-09-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT). Bioorg.Med.Chem.Lett., 23, 2013
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4DNW
| Crystal structure of UVB-resistance protein UVR8 | Descriptor: | AT5g63860/MGI19_6 | Authors: | Wu, D, Hu, Q, Yan, Z, Chen, W, Yan, C, Wang, J, Shi, Y. | Deposit date: | 2012-02-09 | Release date: | 2012-03-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.773 Å) | Cite: | Structural basis of ultraviolet-B perception by UVR8. Nature, 484, 2012
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4DSN
| Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity | Descriptor: | 1,2-ETHANEDIOL, GTPase KRas, isoform 2B, ... | Authors: | Oh, A, Maurer, T, Garrenton, L.S, Pitts, K, Anderson, D.J, Skelton, N.J, Fauber, B.P, Pan, B, Malek, S, Stokoe, D, Ludlam, M, Bowman, K.K, Wu, J, Giannetti, A.M, Starovasnik, M.A, Mellman, I, Jackson, P.K, Ruldolph, J, Fang, G, Wang, W. | Deposit date: | 2012-02-19 | Release date: | 2012-04-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity. Proc.Natl.Acad.Sci.USA, 109, 2012
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4LWZ
| Crystal structure of Myo5b globular tail domain in complex with inactive Rab11a | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ras-related protein Rab-11A, ... | Authors: | Pylypenko, O, Attanda, W, Gauquelin, C, Houdusse, A. | Deposit date: | 2013-07-29 | Release date: | 2013-11-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structural basis of myosin V Rab GTPase-dependent cargo recognition. Proc.Natl.Acad.Sci.USA, 110, 2013
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4LYB
| CdS within a lysoyzme single crystal | Descriptor: | CADMIUM ION, Lysozyme C | Authors: | Wei, H, House, S, Wu, J, Zhang, J, Wang, Z, He, Y, Gao, Y.-G, Robinson, H, Li, W, Zuo, J.-M, Robertson, I.M, Lu, Y. | Deposit date: | 2013-07-30 | Release date: | 2015-02-25 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Enhanced and tunable fluorescent quantum dots within a single crystal of protein TO BE PUBLISHED
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2A4V
| Crystal Structure of a truncated mutant of yeast nuclear thiol peroxidase | Descriptor: | Peroxiredoxin DOT5 | Authors: | Choi, J, Choi, S, Chon, J.-K, Choi, J, Cha, M.-K, Kim, I.-H, Shin, W. | Deposit date: | 2005-06-29 | Release date: | 2006-03-14 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of the C107S/C112S mutant of yeast nuclear 2-Cys peroxiredoxin Proteins, 61, 2005
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2A7M
| 1.6 Angstrom Resolution Structure of the Quorum-Quenching N-Acyl Homoserine Lactone Hydrolase of Bacillus thuringiensis | Descriptor: | GLYCEROL, N-acyl homoserine lactone hydrolase, ZINC ION | Authors: | Liu, D, Lepore, B.W, Petsko, G.A, Thomas, P.W, Stone, E.M, Fast, W, Ringe, D. | Deposit date: | 2005-07-05 | Release date: | 2005-08-16 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Three-dimensional structure of the quorum-quenching N-acyl homoserine lactone hydrolase from Bacillus thuringiensis Proc.Natl.Acad.Sci.Usa, 102, 2005
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