3RBB
| HIV-1 NEF protein in complex with engineered HCK SH3 domain | Descriptor: | 1,2-ETHANEDIOL, Protein Nef, Tyrosine-protein kinase HCK | Authors: | Horenkamp, F.A, Schulte, A, Weyand, M, Geyer, M. | Deposit date: | 2011-03-29 | Release date: | 2011-04-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Conformation of the Dileucine-Based Sorting Motif in HIV-1 Nef Revealed by Intermolecular Domain Assembly. Traffic, 12, 2011
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6O0Y
| Conformational states of Cas9-sgRNA-DNA ternary complex in the presence of magnesium | Descriptor: | 3' product of target strand DNA, 5' product of target strand DNA, CRISPR-associated endonuclease Cas9/Csn1, ... | Authors: | Zhu, X, Clarke, R, Puppala, A.K, Chittori, S, Merk, A, Merrill, B.J, Simonovic, M, Subramaniam, S. | Deposit date: | 2019-02-17 | Release date: | 2019-07-10 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.37 Å) | Cite: | Cryo-EM structures reveal coordinated domain motions that govern DNA cleavage by Cas9. Nat.Struct.Mol.Biol., 26, 2019
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5GG6
| Crystal structure of Mycobacterium smegmatis MutT1 in complex with 8-oxo-dGTP | Descriptor: | 1,2-ETHANEDIOL, 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ... | Authors: | Arif, S.M, Patil, A.G, Varshney, U, Vijayan, M. | Deposit date: | 2016-06-15 | Release date: | 2017-04-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Biochemical and structural studies of Mycobacterium smegmatis MutT1, a sanitization enzyme with unusual modes of association Acta Crystallogr D Struct Biol, 73, 2017
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1SGE
| GLU 18 VARIANT OF TURKEY OVOMUCOID INHIBITOR THIRD DOMAIN COMPLEXED WITH STREPTOMYCES GRISEUS PROTEINASE B AT PH 6.5 | Descriptor: | Ovomucoid, PHOSPHATE ION, Streptogrisin B | Authors: | Huang, K, Lu, W, Anderson, S, Laskowski Jr, M, James, M.N.G. | Deposit date: | 1999-03-25 | Release date: | 2003-08-26 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Recruitment of a Buried K+ Ion to Stabilize the Negative Charge of Ionized P1 in the Hydrophobic Pocket: Crystal Structures of Glu18, Gln18, Asp18 and Asn18 Variants of Turkey Ovomucoid Inhibitor Third Domain Complexed with Streptomyces griseus Protease B at Various pHs To be Published
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5GGB
| Crystal structure of Mycobacterium smegmatis MutT1 in complex with 8-oxo-dGDP | Descriptor: | 2'-deoxy-8-oxoguanosine 5'-(trihydrogen diphosphate), Hydrolase, NUDIX family protein | Authors: | Arif, S.M, Patil, A.G, Varshney, U, Vijayan, M. | Deposit date: | 2016-06-15 | Release date: | 2017-04-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Biochemical and structural studies of Mycobacterium smegmatis MutT1, a sanitization enzyme with unusual modes of association Acta Crystallogr D Struct Biol, 73, 2017
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1ISM
| Crystal Structure Analysis of BST-1/CD157 complexed with nicotinamide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, NICOTINAMIDE, bone marrow stromal cell antigen 1 | Authors: | Yamamoto-Katayama, S, Ariyoshi, M, Ishihara, K, Hirano, T, Jingami, H, Morikawa, K. | Deposit date: | 2001-12-05 | Release date: | 2002-03-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystallographic studies on human BST-1/CD157 with ADP-ribosyl cyclase and NAD glycohydrolase activities. J.Mol.Biol., 316, 2002
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1SHW
| EphB2 / EphrinA5 Complex Structure | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ephrin type-B receptor 2, Ephrin-A5, ... | Authors: | Himanen, J.P, Chumley, M.J, Lackmann, M, Li, C, Barton, W.A, Jeffrey, P.D, Vearing, C, Geleick, D, Feldheim, D.A, Boyd, A.W. | Deposit date: | 2004-02-26 | Release date: | 2004-05-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Repelling class discrimination: ephrin-A5 binds to and activates EphB2 receptor signaling Nat.Neurosci., 7, 2004
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8Q4O
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6NWQ
| Chronic traumatic encephalopathy Type II Tau filament | Descriptor: | Microtubule-associated protein tau | Authors: | Falcon, B, Zivanov, J, Zhang, W, Murzin, A.G, Garringer, H.J, Vidal, R, Crowther, R.A, Newell, K.L, Ghetti, B, Goedert, M, Scheres, H.W. | Deposit date: | 2019-02-07 | Release date: | 2019-03-27 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Novel tau filament fold in chronic traumatic encephalopathy encloses hydrophobic molecules. Nature, 568, 2019
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4IL4
| The pentameric ligand-gated ion channel GLIC in complex with Se-DDM | Descriptor: | ACETATE ION, CHLORIDE ION, Proton-gated ion channel, ... | Authors: | Sauguet, L, Malherbe, L, Corringer, P.J, Delarue, M. | Deposit date: | 2012-12-29 | Release date: | 2013-02-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structural basis for ion permeation mechanism in pentameric ligand-gated ion channels. Embo J., 32, 2013
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3R6T
| Rat catechol o-methyltransferase in complex with the bisubstrate inhibitor 4'-fluoro-4,5-dihydroxy-biphenyl-3-carboxylic acid {(E)-3-[(2S,4R,5R)-4-hydroxy-5-(6-methyl-purin-9-yl)-tetrahydro-furan-2-yl]-allyl}-amide | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 4'-fluoro-4,5-dihydroxy-N-{(2E)-3-[(2S,4R,5R)-4-hydroxy-5-(6-methyl-9H-purin-9-yl)tetrahydrofuran-2-yl]prop-2-en-1-yl}biphenyl-3-carboxamide, CHLORIDE ION, ... | Authors: | Ehler, A, Schlatter, D, Stihle, M, Benz, J, Rudolph, M.G. | Deposit date: | 2011-03-22 | Release date: | 2012-02-01 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Catechol-O-methyltransferase in complex with substituted 3'-deoxyribose bisubstrate inhibitors. Acta Crystallogr.,Sect.D, 68, 2012
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6HPE
| Crystal structure of glutathione transferase Omega 3S from Trametes versicolor in complex with the glutathione adduct of phenethyl-isothiocyanate | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Schwartz, M, Favier, F, Didierjean, C. | Deposit date: | 2018-09-20 | Release date: | 2019-04-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | The structure of Trametes versicolor glutathione transferase Omega 3S bound to its conjugation product glutathionyl-phenethylthiocarbamate reveals plasticity of its active site. Protein Sci., 28, 2019
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6GIC
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3AQB
| M. luteus B-P 26 heterodimeric hexaprenyl diphosphate synthase in complex with magnesium | Descriptor: | CHLORIDE ION, Component A of hexaprenyl diphosphate synthase, Component B of hexaprenyl diphosphate synthase, ... | Authors: | Sasaki, D, Fujihashi, M, Okuyama, N, Kobayashi, Y, Noike, M, Koyama, T, Miki, K. | Deposit date: | 2010-10-28 | Release date: | 2010-11-10 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of heterodimeric hexaprenyl diphosphate synthase from Micrococcus luteus B-P 26 reveals that the small subunit is directly involved in the product chain length regulation. J.Biol.Chem., 286, 2011
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6HTR
| Yeast 20S proteasome with human beta2c (S171G) in complex with 13 | Descriptor: | (2~{S})-~{N}-[(2~{S})-1-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-2-[[(2~{S})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide, MAGNESIUM ION, PROTEASOME SUBUNIT ALPHA TYPE-1, ... | Authors: | Huber, E.M, Groll, M. | Deposit date: | 2018-10-04 | Release date: | 2019-01-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits. J.Med.Chem., 62, 2019
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6NYS
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4MZ5
| Structure of importin-alpha: dUTPase NLS complex | Descriptor: | Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial, Importin subunit alpha-1 | Authors: | Marfori, M, Rona, G, Vertessy, B.G, Kobe, B. | Deposit date: | 2013-09-29 | Release date: | 2013-11-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Phosphorylation adjacent to the nuclear localization signal of human dUTPase abolishes nuclear import: structural and mechanistic insights. Acta Crystallogr.,Sect.D, 69, 2013
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6GM3
| [FeFe]-hydrogenase CpI from Clostridium pasteurianum, variant R286A | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, IRON/SULFUR CLUSTER, Iron hydrogenase 1, ... | Authors: | Duan, J, Esselborn, J, Hofmann, E, Winkler, M, Happe, T. | Deposit date: | 2018-05-24 | Release date: | 2018-11-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Crystallographic and spectroscopic assignment of the proton transfer pathway in [FeFe]-hydrogenases. Nat Commun, 9, 2018
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6HT8
| Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 3 | Descriptor: | 3-benzamido-4-methoxy-~{N}-oxidanyl-benzamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | Authors: | Marek, M, Shaik, T.B, Romier, C. | Deposit date: | 2018-10-03 | Release date: | 2018-10-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.497 Å) | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants. J. Med. Chem., 61, 2018
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6HVR
| Yeast 20S proteasome with human beta2i (1-53) in complex with 16 | Descriptor: | (2~{S})-~{N}-[(2~{S},3~{R})-1-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-2-[[(2~{R})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Huber, E.M, Groll, M. | Deposit date: | 2018-10-11 | Release date: | 2019-01-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits. J.Med.Chem., 62, 2019
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3RBS
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6HWC
| Yeast 20S proteasome beta2-G45A mutant | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Huber, E.M, Groll, M. | Deposit date: | 2018-10-11 | Release date: | 2019-01-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits. J.Med.Chem., 62, 2019
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1SO8
| Abeta-bound human ABAD structure [also known as 3-hydroxyacyl-CoA dehydrogenase type II (Type II HADH), Endoplasmic reticulum-associated amyloid beta-peptide binding protein (ERAB)] | Descriptor: | 3-hydroxyacyl-CoA dehydrogenase type II, CHLORIDE ION, SODIUM ION | Authors: | Lustbader, J.W, Cirilli, M, Wu, H. | Deposit date: | 2004-03-13 | Release date: | 2004-05-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | ABAD directly links Abeta to mitochondrial toxicity in Alzheimer's disease. Science, 304, 2004
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6O0F
| Saxiphilin:STX complex, co-crystal | Descriptor: | Saxiphilin, [(3aS,4R,10aS)-2,6-diamino-10,10-dihydroxy-3a,4,9,10-tetrahydro-3H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate | Authors: | Yen, T.J, Lolicato, M, Minor, D.L. | Deposit date: | 2019-02-16 | Release date: | 2019-07-10 | Last modified: | 2019-12-04 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Structure of the saxiphilin:saxitoxin (STX) complex reveals a convergent molecular recognition strategy for paralytic toxins. Sci Adv, 5, 2019
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6RX3
| Crystal structure of human syncytin 2 in post-fusion conformation | Descriptor: | CHLORIDE ION, Syncytin-2 | Authors: | Ruigrok, K, Backovic, M, Vaney, M.C, Rey, F.A. | Deposit date: | 2019-06-07 | Release date: | 2019-11-20 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | X-ray Structures of the Post-fusion 6-Helix Bundle of the Human Syncytins and their Functional Implications. J.Mol.Biol., 431, 2019
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