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5YVV
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BU of 5yvv by Molmil
Crystal structure of full length NS3 protein (gD4NS2BNS3) from DENV4 in closed conformation
Descriptor: Genome polyprotein
Authors:PHOO, W.W, Sahili, A.E.
Deposit date:2017-11-27
Release date:2018-12-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.097 Å)
Cite:Crystal structures of unlinked full length NS3 from Dengue virus provide insights into dynamics of protease domain
To Be Published
1LX6
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BU of 1lx6 by Molmil
Crystal Structure of E. Coli Enoyl Reductase-NAD+ with a Bound Benzamide Inhibitor
Descriptor: 3-[(ACETYL-METHYL-AMINO)-METHYL]-4-AMINO-N-METHYL-N-(1-METHYL-1H-INDOL-2-YLMETHYL)-BENZAMIDE, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Smith, W.W, Qiu, X, Janson, C.A.
Deposit date:2002-06-04
Release date:2002-09-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of aminopyridine-based inhibitors of bacterial enoyl-ACP reductase (FabI).
J.Med.Chem., 45, 2002
1ABW
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BU of 1abw by Molmil
DEOXY RHB1.1 (RECOMBINANT HEMOGLOBIN)
Descriptor: HEMOGLOBIN-BASED BLOOD SUBSTITUTE, LEUCINE, METHIONINE, ...
Authors:Kundrot, C.E, Kroeger, K.S.
Deposit date:1997-01-29
Release date:1998-06-17
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of a hemoglobin-based blood substitute: insights into the function of allosteric proteins.
Structure, 5, 1997
6ITU
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BU of 6itu by Molmil
Crystal Structure of the GULP1 PTB domain-APP peptide complex
Descriptor: 1,2-ETHANEDIOL, Amyloid beta A4 protein, PTB domain-containing engulfment adapter protein 1, ...
Authors:Yung, K.W.Y, Lau, K.F, Ngo, J.C.K.
Deposit date:2018-11-26
Release date:2019-08-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Attenuation of amyloid-beta generation by atypical protein kinase C-mediated phosphorylation of engulfment adaptor PTB domain containing 1 threonine 35.
Faseb J., 33, 2019
5NFE
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BU of 5nfe by Molmil
Neutron structure of human transthyretin (TTR) T119M mutant at room temperature to 1.85A resolution
Descriptor: Transthyretin
Authors:Yee, A.W, Moulin, M, Blakeley, M.P, Ostermann, A, Cooper, J.B, Haertlein, M, Mitchell, E.P, Forsyth, V.T.
Deposit date:2017-03-14
Release date:2019-01-02
Last modified:2024-05-01
Method:NEUTRON DIFFRACTION (1.853 Å), X-RAY DIFFRACTION
Cite:A molecular mechanism for transthyretin amyloidogenesis.
Nat Commun, 10, 2019
8OI6
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BU of 8oi6 by Molmil
Cryo-EM structure of the undecorated barbed end of filamentous beta/gamma actin
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, cytoplasmic 1, ...
Authors:Oosterheert, W, Blanc, F.E.C, Roy, A, Belyy, A, Hofnagel, O, Hummer, G, Bieling, P, Raunser, S.
Deposit date:2023-03-22
Release date:2023-08-09
Last modified:2023-11-22
Method:ELECTRON MICROSCOPY (3.59 Å)
Cite:Molecular mechanisms of inorganic-phosphate release from the core and barbed end of actin filaments.
Nat.Struct.Mol.Biol., 30, 2023
5VOT
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BU of 5vot by Molmil
Structure of AMPA receptor-TARP complex
Descriptor: Glutamate receptor 2, Voltage-dependent calcium channel gamma-2 subunit
Authors:Chen, S, Zhao, Y, Wang, Y.S, Shekhar, M, Tajkhorshid, E, Gouaux, E.
Deposit date:2017-05-03
Release date:2017-07-12
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (4.9 Å)
Cite:Activation and Desensitization Mechanism of AMPA Receptor-TARP Complex by Cryo-EM.
Cell, 170, 2017
5W19
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BU of 5w19 by Molmil
Tryptophan indole-lyase complex with oxindolyl-L-alanine
Descriptor: 1-carboxy-1-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]azaniumyl}-2-[(3R)-2-oxo-2,3-dihydro-1H-indol-3-yl]ethan-1-ide, POTASSIUM ION, Tryptophanase
Authors:Phillips, R.S, Wood, Z.A.
Deposit date:2017-06-02
Release date:2018-06-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The crystal structure of Proteus vulgaris tryptophan indole-lyase complexed with oxindolyl-L-alanine: implications for the reaction mechanism.
Acta Crystallogr D Struct Biol, 74, 2018
8TNP
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BU of 8tnp by Molmil
Cryo-EM structure of DDB1dB:CRBN:Pomalidomide:SD40
Descriptor: DNA damage-binding protein 1, Maltose/maltodextrin-binding periplasmic protein,SD40, Protein cereblon, ...
Authors:Roy Burman, S.S, Hunkeler, M, Fischer, E.S.
Deposit date:2023-08-02
Release date:2024-03-13
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Continuous evolution of compact protein degradation tags regulated by selective molecular glues.
Science, 383, 2024
8TNQ
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BU of 8tnq by Molmil
Cryo-EM structure of DDB1dB:CRBN:PT-179:SD40, conformation 1
Descriptor: 2-[(3S)-2,6-dioxopiperidin-3-yl]-5-(morpholin-4-yl)-1H-isoindole-1,3(2H)-dione, DNA damage-binding protein 1, Maltose/maltodextrin-binding periplasmic protein,SD40, ...
Authors:Roy Burman, S.S, Hunkeler, M, Fischer, E.S.
Deposit date:2023-08-02
Release date:2024-03-13
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (2.41 Å)
Cite:Continuous evolution of compact protein degradation tags regulated by selective molecular glues.
Science, 383, 2024
5JA5
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BU of 5ja5 by Molmil
Crystal structure of the rice Topless related protein 2 (TPR2) N-terminal topless domain (1-209) L111A and L130A mutant in complex with rice D53 repressor EAR peptide motif
Descriptor: Protein TPR1, The rice D53 peptide (a.a. 794-808), ZINC ION
Authors:Ke, J, Ma, H, Gu, X, Brunzelle, J.S, Xu, H.E, Melcher, K.
Deposit date:2016-04-12
Release date:2017-07-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:A D53 repression motif induces oligomerization of TOPLESS corepressors and promotes assembly of a corepressor-nucleosome complex.
Sci Adv, 3, 2017
8P54
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BU of 8p54 by Molmil
Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 150 micromolar MG-132.
Descriptor: 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ...
Authors:Costanzi, E, Demitri, N, Storici, P.
Deposit date:2023-05-23
Release date:2024-05-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease.
J.Chem.Inf.Model., 64, 2024
8P58
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BU of 8p58 by Molmil
Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 500 micromolar X77 enantiomer R.
Descriptor: 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ...
Authors:Costanzi, E, Demitri, N, Storici, P.
Deposit date:2023-05-23
Release date:2024-05-01
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease.
J.Chem.Inf.Model., 64, 2024
8P86
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BU of 8p86 by Molmil
Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 5 mM MG-132, from an "old" crystal.
Descriptor: 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ...
Authors:Costanzi, E, Demitri, N, Storici, P.
Deposit date:2023-05-31
Release date:2024-05-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease.
J.Chem.Inf.Model., 64, 2024
7NDP
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BU of 7ndp by Molmil
X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL001856.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 6-bromanylspiro[3~{H}-chromene-2,4'-piperidine]-4-one, ...
Authors:Cederfelt, D, Boronat, P, Dobritzsch, D, Hennig, S, Fitzgerald, E.A, de Esch, I.J.P, Danielson, U.H.
Deposit date:2021-02-02
Release date:2021-04-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of fragments inducing conformational effects in dynamic proteins using a second-harmonic generation biosensor.
Rsc Adv, 11, 2021
5D2B
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BU of 5d2b by Molmil
Crystal structure of a mutated catalytic domain of Human MMP12 in complex with an hydroxamate analogue of RXP470
Descriptor: CALCIUM ION, Macrophage metalloelastase, N-[(2R)-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}-4-(hydroxyamino)-4-oxobutanoyl]-L-alpha-glutamyl-L-alpha-glutamine, ...
Authors:Rouanet-Mehouas, C, Devel, L, Dive, V, Stura, E.A.
Deposit date:2015-08-05
Release date:2016-08-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Zinc-Metalloproteinase Inhibitors: Evaluation of the Complex Role Played by the Zinc-Binding Group on Potency and Selectivity.
J. Med. Chem., 60, 2017
4TU4
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BU of 4tu4 by Molmil
Crystal structure of ATAD2A bromodomain complexed with 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(phenylsulfonyl)amino]benzoicacid
Descriptor: 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(phenylsulfonyl)amino]benzoic acid, ATPase family AAA domain-containing protein 2, CHLORIDE ION, ...
Authors:Poncet-Montange, G, Zhan, Y, Bardenhagen, J, Petrocchi, A, Leo, E, Shi, X, Lee, G, Leonard, P, Geck Do, M, Cardozo, M, Palmer, W, Andersen, J, Jones, P, Ladbury, J.
Deposit date:2014-06-23
Release date:2014-12-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Observed bromodomain flexibility reveals histone peptide- and small molecule ligand-compatible forms of ATAD2.
Biochem.J., 466, 2015
8OWX
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BU of 8owx by Molmil
Crystal Structure of METTL6 bound to SAH
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, S-ADENOSYL-L-HOMOCYSTEINE, tRNA N(3)-methylcytidine methyltransferase METTL6
Authors:Throll, P, Basu, S, Dolce, L.G, Kowalinski, E.
Deposit date:2023-04-28
Release date:2024-05-08
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2.601 Å)
Cite:Structural basis of tRNA recognition by the m 3 C RNA methyltransferase METTL6 in complex with SerRS seryl-tRNA synthetase.
Nat.Struct.Mol.Biol., 2024
8OVG
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BU of 8ovg by Molmil
Human Mitochondrial Lon Y186E Mutant ADP Bound
Descriptor: Lon protease homolog, mitochondrial
Authors:Kereiche, S, Bauer, J.A, Matyas, P, Novacek, J, Kutejova, E.
Deposit date:2023-04-26
Release date:2024-05-08
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (8.47 Å)
Cite:Polyphosphate and tyrosine phosphorylation in the N-terminal domain of the human mitochondrial Lon protease disrupts its functions.
Sci Rep, 14, 2024
1HPV
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BU of 1hpv by Molmil
CRYSTAL STRUCTURE OF HIV-1 PROTEASE IN COMPLEX WITH VX-478, A POTENT AND ORALLY BIOAVAILABLE INHIBITOR OF THE ENZYME
Descriptor: HIV-1 PROTEASE, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER
Authors:Kim, E.E.
Deposit date:1994-11-18
Release date:1995-03-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of HIV-1 Protease in Complex with Vx-478, a Potent and Orally Bioavailable Inhibitor of the Enzyme
J.Am.Chem.Soc., 117, 1995
1W2Z
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BU of 1w2z by Molmil
PSAO and Xenon
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, AMINE OXIDASE, COPPER CONTAINING, ...
Authors:Duff, A.P, Trambaiolo, D.M, Cohen, A.E, Ellis, P.J, Juda, G.A, Shepard, E.M, Langley, D.B, Dooley, D.M, Freeman, H.C, Guss, J.M.
Deposit date:2004-07-11
Release date:2004-11-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Using Xenon as a Probe for Dioxygen-Binding Sites in Copper Amine Oxidases.
J.Mol.Biol., 344, 2004
8TLS
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BU of 8tls by Molmil
Crystal structure of Shewanella benthica Group 1 truncated hemoglobin C51S C71S Y108A variant
Descriptor: CYANIDE ION, Group 1 truncated hemoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Schultz, T.D, Martinez, J.E, Siegler, M.A, Schlessman, J.L, Lecomte, J.T.J.
Deposit date:2023-07-27
Release date:2024-04-03
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of Shewanella benthica Group 1 truncated hemoglobin C51S C71S Y108A variant
To Be Published
5EA4
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BU of 5ea4 by Molmil
Crystal Structure of Inhibitor JNJ-49153390 in Complex with Prefusion RSV F Glycoprotein
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 3-[[5-bromanyl-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-cyclopropyl-imidazo[4,5-c]pyridin-2-one, Fusion glycoprotein F0, ...
Authors:Battles, M.B, McLellan, J.S, Arnoult, E, Roymans, D, Langedijk, J.P.
Deposit date:2015-10-15
Release date:2015-12-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular mechanism of respiratory syncytial virus fusion inhibitors.
Nat.Chem.Biol., 12, 2016
8U4C
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BU of 8u4c by Molmil
Cryo-EM structure of long form insulin receptor (IR-B) with four IGF2 bound, symmetric conformation.
Descriptor: Insulin receptor, Insulin-like growth factor II
Authors:An, W, Hall, C, Li, J, Huang, A, Wu, J, Park, J, Bai, X.C, Choi, E.
Deposit date:2023-09-10
Release date:2024-03-27
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Activation of the insulin receptor by insulin-like growth factor 2.
Nat Commun, 15, 2024
6Q88
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BU of 6q88 by Molmil
RT structure of HEWL at 5 kGy
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Lysozyme C
Authors:de la Mora, E, Coquelle, N, Bury, C.S, Rosenthal, M, Garman, E.F, Burghammer, M, Colletier, J.P, Weik, M.
Deposit date:2018-12-14
Release date:2020-01-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.74007058 Å)
Cite:Radiation damage and dose limits in serial synchrotron crystallography at cryo- and room temperatures.
Proc.Natl.Acad.Sci.USA, 117, 2020

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數據於2024-09-25公開中

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