6OYT
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![BU of 6oyt by Molmil](/molmil-images/mine/6oyt) | ASK1 kinase domain in complex with GS-4997 | Descriptor: | 5-(4-cyclopropyl-1H-imidazol-1-yl)-2-fluoro-4-methyl-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}benzamide, ACETATE ION, Mitogen-activated protein kinase kinase kinase 5 | Authors: | Marcotte, D.J. | Deposit date: | 2019-05-15 | Release date: | 2019-11-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.824 Å) | Cite: | Rational Design and Optimization of a Novel Class of Macrocyclic Apoptosis Signal-Regulating Kinase 1 Inhibitors. J.Med.Chem., 62, 2019
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1GQS
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![BU of 1gqs by Molmil](/molmil-images/mine/1gqs) | ACETYLCHOLINESTERASE (E.C. 3.1.1.7) COMPLEXED WITH NAP | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL, ACETYLCHOLINESTERASE | Authors: | Bar-on, P, Millard, C.B, Harel, M, Dvir, H, Enz, A, Sussman, J.L, Silman, I. | Deposit date: | 2001-12-04 | Release date: | 2002-03-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Kinetic and Structural Studies on the Interaction of Cholinesterases with the Anti-Alzheimer Drug Rivastigmine Biochemistry, 41, 2002
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6FX2
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![BU of 6fx2 by Molmil](/molmil-images/mine/6fx2) | crystal structure of Pholiota squarrosa lectin in complex with a decasaccharide | Descriptor: | beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]1-azido-beta-N-acetyl-D-glucosamine, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]1-azido-beta-N-acetyl-D-glucosamine, lectin | Authors: | Cabanettes, A, Varrot, A. | Deposit date: | 2018-03-08 | Release date: | 2018-07-11 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Recognition of Complex Core-Fucosylated N-Glycans by a Mini Lectin. Angew. Chem. Int. Ed. Engl., 57, 2018
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1ZZY
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![BU of 1zzy by Molmil](/molmil-images/mine/1zzy) | |
6G1V
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![BU of 6g1v by Molmil](/molmil-images/mine/6g1v) | Crystal structure of Torpedo Californica acetylcholinesterase in complex with 12-Amino-3-chloro-6,7,10,11-tetrahydro-5,9-dimethyl-7,11-methanocycloocta[b]quinolin-5-ium | Descriptor: | 12-Amino-3-chloro-6,7,10,11-tetrahydro-5,9-dimethyl-7,11-methanocycloocta[b]quinolin-5-ium, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ... | Authors: | Coquelle, N, Colletier, J.P. | Deposit date: | 2018-03-22 | Release date: | 2018-04-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Increasing Polarity in Tacrine and Huprine Derivatives: Potent Anticholinesterase Agents for the Treatment of Myasthenia Gravis. Molecules, 23, 2018
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1GXH
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![BU of 1gxh by Molmil](/molmil-images/mine/1gxh) | Colicin E8 DNAse immunity protein: Im8 | Descriptor: | COLICIN E8 IMMUNITY PROTEIN | Authors: | Leduff, C.S, Videler, H, Boetzel, R, Czisch, M, James, R, Kleanthous, C, Moore, G.R. | Deposit date: | 2002-04-05 | Release date: | 2002-05-01 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Non-Cognate Protein-Protein Interaction: The NMR Structure of the Colicin E8 Inhibitor Protein Im8 and its Interaction with the DNase Domain of Colicin E9 To be Published
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5BJZ
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6FOH
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6FM9
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![BU of 6fm9 by Molmil](/molmil-images/mine/6fm9) | Crystal structure of human UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase (DPAGT1) | Descriptor: | (2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL (8E)-OCTADEC-8-ENOATE, UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase | Authors: | Pike, A.C.W, Dong, Y.Y, Chu, A, Tessitore, A, Goubin, S, Dong, L, Mukhopadhyay, S, Mahajan, P, Chalk, R, Berridge, G, Wang, D, Kupinska, K, Belaya, K, Beeson, D, Burgess-Brown, N, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | Deposit date: | 2018-01-30 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Structures of DPAGT1 Explain Glycosylation Disease Mechanisms and Advance TB Antibiotic Design. Cell, 175, 2018
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6FX1
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![BU of 6fx1 by Molmil](/molmil-images/mine/6fx1) | Crystal structure of Pholiota squarrosa lectin in complex with an octasaccharide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]1-azido-beta-N-acetyl-D-glucosamine, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]1-azido-beta-N-acetyl-D-glucosamine, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]1-azido-beta-N-acetyl-D-glucosamine, ... | Authors: | Cabanettes, A, Varrot, A. | Deposit date: | 2018-03-08 | Release date: | 2018-07-11 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Recognition of Complex Core-Fucosylated N-Glycans by a Mini Lectin. Angew. Chem. Int. Ed. Engl., 57, 2018
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2KHZ
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![BU of 2khz by Molmil](/molmil-images/mine/2khz) | Solution Structure of RCL | Descriptor: | c-Myc-responsive protein Rcl | Authors: | Doddapaneni, K, Mahler, B, Yuan, C, Wu, Z. | Deposit date: | 2009-04-15 | Release date: | 2009-10-13 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of RCL, a novel 2'-deoxyribonucleoside 5'-monophosphate N-glycosidase J.Mol.Biol., 394, 2009
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8OPP
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![BU of 8opp by Molmil](/molmil-images/mine/8opp) | Structure of human terminal uridylyltransferase 7 (hTUT7/ZCCHC6) bound with pre-let7g miRNA and UTPalphaS | Descriptor: | RNA (25-MER), Terminal uridylyltransferase 7, [[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphoryl] phosphono hydrogen phosphate | Authors: | Yi, G, Ye, M, Gilbert, R.J. | Deposit date: | 2023-04-07 | Release date: | 2024-07-24 | Last modified: | 2024-08-07 | Method: | ELECTRON MICROSCOPY (3.76 Å) | Cite: | Structural basis for activity switching in polymerases determining the fate of let-7 pre-miRNAs. Nat.Struct.Mol.Biol., 2024
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1PFC
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![BU of 1pfc by Molmil](/molmil-images/mine/1pfc) | MOLECULAR-REPLACEMENT STRUCTURE OF GUINEA PIG IGG1 P*FC(PRIME) REFINED AT 3.1 ANGSTROMS RESOLUTION | Descriptor: | IGG1 PFC' FC | Authors: | Bryant, S.H, Amzel, L.M, Poljak, R.J, Phizackerley, R.P. | Deposit date: | 1981-10-28 | Release date: | 1982-02-03 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (3.125 Å) | Cite: | Molecular-Replacement Structure of Guinea Pig Igg1 Pfc(Prime) Refined at 3.1 Angstroms Resolution Acta Crystallogr.,Sect.B, 41, 1985
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5IUK
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![BU of 5iuk by Molmil](/molmil-images/mine/5iuk) | Crystal structure of the DesK-DesR complex in the phosphotransfer state with high Mg2+ (150 mM) | Descriptor: | MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, POTASSIUM ION, ... | Authors: | Trajtenberg, F, Imelio, J.A, Larrieux, N, Buschiazzo, A. | Deposit date: | 2016-03-18 | Release date: | 2016-12-21 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Regulation of signaling directionality revealed by 3D snapshots of a kinase:regulator complex in action. Elife, 5, 2016
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5IV5
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![BU of 5iv5 by Molmil](/molmil-images/mine/5iv5) | Cryo-electron microscopy structure of the hexagonal pre-attachment T4 baseplate-tail tube complex | Descriptor: | Baseplate hub protein gp27, Baseplate tail-tube protein gp48, Baseplate tail-tube protein gp54, ... | Authors: | Taylor, N.M.I, Guerrero-Ferreira, R.C, Goldie, K.N, Stahlberg, H, Leiman, P.G. | Deposit date: | 2016-03-19 | Release date: | 2016-05-18 | Last modified: | 2018-02-07 | Method: | ELECTRON MICROSCOPY (4.11 Å) | Cite: | Structure of the T4 baseplate and its function in triggering sheath contraction. Nature, 533, 2016
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6VV0
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![BU of 6vv0 by Molmil](/molmil-images/mine/6vv0) | Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT1354 | Descriptor: | 2-[(4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(diethylamino)ethyl]acetamide, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | Punetha, A, Hou, C, Ngo, H.X, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2020-02-16 | Release date: | 2020-06-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure-Guided Optimization of Inhibitors of Acetyltransferase Eis fromMycobacterium tuberculosis. Acs Chem.Biol., 15, 2020
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5IVG
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3BLU
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![BU of 3blu by Molmil](/molmil-images/mine/3blu) | crystal structure YopH complexed with inhibitor PVS | Descriptor: | (ethenylsulfonyl)benzene, Tyrosine-protein phosphatase yopH | Authors: | Liu, S, Zhang, Z.-Y. | Deposit date: | 2007-12-11 | Release date: | 2008-10-21 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Aryl vinyl sulfonates and sulfones as active site-directed and mechanism-based probes for protein tyrosine phosphatases J.Am.Chem.Soc., 130, 2008
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5IWH
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![BU of 5iwh by Molmil](/molmil-images/mine/5iwh) | Structure of P. vulgaris HigB toxin delta H92 | Descriptor: | CHLORIDE ION, Endoribonuclease HigB | Authors: | Schureck, M.A, Repack, A.A, Miles, S.J, Marquez, J, Dunham, C.M. | Deposit date: | 2016-03-22 | Release date: | 2016-07-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.101 Å) | Cite: | Mechanism of endonuclease cleavage by the HigB toxin. Nucleic Acids Res., 44, 2016
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5J4S
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8HJD
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1PSO
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![BU of 1pso by Molmil](/molmil-images/mine/1pso) | The crystal structure of human pepsin and its complex with pepstatin | Descriptor: | PEPSIN 3A, PEPSTATIN | Authors: | Fujinaga, M, Chernaia, M.M, Tarasova, N, Mosimann, S.C, James, M.N.G. | Deposit date: | 1995-01-23 | Release date: | 1995-04-20 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of human pepsin and its complex with pepstatin. Protein Sci., 4, 1995
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3BOG
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![BU of 3bog by Molmil](/molmil-images/mine/3bog) | Snow Flea Antifreeze Protein Quasi-racemate | Descriptor: | 6.5 kDa glycine-rich antifreeze protein, UNKNOWN LIGAND | Authors: | Pentelute, B.L, Kent, S.B.H, Gates, Z.P, Tereshko, V, Kossiakoff, A.A, Kurutz, J, Dashnau, J, Vaderkooi, J.M. | Deposit date: | 2007-12-17 | Release date: | 2008-09-23 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | X-ray structure of snow flea antifreeze protein determined by racemic crystallization of synthetic protein enantiomers J.Am.Chem.Soc., 130, 2008
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5J54
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![BU of 5j54 by Molmil](/molmil-images/mine/5j54) | The Structure and Mechanism of NOV1, a Resveratrol-Cleaving Dioxygenase | Descriptor: | Carotenoid oxygenase, FE (III) ION, OXYGEN MOLECULE, ... | Authors: | McAndrew, R.P, Pereira, J.H, Sathitsuksanoh, N, Sale, K.L, Simmons, B.A, Adams, P.D. | Deposit date: | 2016-04-01 | Release date: | 2016-11-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Structure and mechanism of NOV1, a resveratrol-cleaving dioxygenase. Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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5J5E
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![BU of 5j5e by Molmil](/molmil-images/mine/5j5e) | crystal structure of antigen-ERAP1 domain complex | Descriptor: | Endoplasmic reticulum aminopeptidase 1 | Authors: | Sui, L, Gandhi, A, Guo, H.-C. | Deposit date: | 2016-04-02 | Release date: | 2017-04-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of a polypeptide's C-terminus in complex with the regulatory domain of ER aminopeptidase 1. Mol.Immunol., 80, 2016
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