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PDB: 2662 results

7T8M
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Co-crystal structure of SARS-CoV-2 Mpro C145A with substrate peptide 5/6
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Shaqra, A.M, Schiffer, C.A.
Deposit date:2021-12-16
Release date:2022-06-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance.
Nat Commun, 13, 2022
7TA6
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Trimer-to-Monomer Disruption of Tumor Necrosis Factor-alpha (TNF-alpha) by unnatural alpha/beta-peptide-1
Descriptor: 1,2-ETHANEDIOL, AMINO GROUP, Alpha/Beta-peptide-1, ...
Authors:Niu, J, Bingman, C.A, Gellman, S.H.
Deposit date:2021-12-20
Release date:2022-06-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Trimer-to-Monomer Disruption Mechanism for a Potent, Protease-Resistant Antagonist of Tumor Necrosis Factor-alpha Signaling.
J.Am.Chem.Soc., 144, 2022
1OT5
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The 2.4 Angstrom Crystal Structure of Kex2 in complex with a peptidyl-boronic acid inhibitor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ac-Ala-Lys-boroArg N-acetylated boronic acid peptide inhibitor, ...
Authors:Holyoak, T, Wilson, M.A, Fenn, T.D, Kettner, C.A, Petsko, G.A, Fuller, R.S, Ringe, D.
Deposit date:2003-03-21
Release date:2003-06-17
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:2.4 A Resolution Crystal Structure of the Prototypical Hormone-Processing Protease Kex2 in Complex with an Ala-Lys-Arg Boronic Acid Inhibitor
Biochemistry, 42, 2003
7TA3
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Trimer-to-Monomer Disruption of Tumor Necrosis Factor-alpha (TNF-alpha) by alpha-peptide-3
Descriptor: Alpha-peptide-3, Tumor necrosis factor
Authors:Niu, J, Bingman, C.A, Gellman, S.H.
Deposit date:2021-12-20
Release date:2022-06-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Trimer-to-Monomer Disruption Mechanism for a Potent, Protease-Resistant Antagonist of Tumor Necrosis Factor-alpha Signaling.
J.Am.Chem.Soc., 144, 2022
7SQK
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Cryo-EM structure of the human augmin complex
Descriptor: HAUS augmin-like complex subunit 1, HAUS augmin-like complex subunit 2, HAUS augmin-like complex subunit 3, ...
Authors:Gabel, C.A, Chang, L.
Deposit date:2021-11-05
Release date:2022-09-21
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (8 Å)
Cite:Molecular architecture of the augmin complex.
Nat Commun, 13, 2022
1P0S
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BU of 1p0s by Molmil
Crystal Structure of Blood Coagulation Factor Xa in Complex with Ecotin M84R
Descriptor: Coagulation factor X precursor, Ecotin precursor, MAGNESIUM ION, ...
Authors:Wang, S.X, Hur, E, Sousa, C.A, Brinen, L, Slivka, E.J, Fletterick, R.J.
Deposit date:2003-04-10
Release date:2003-08-26
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The Extended Interactions and Gla Domain of Blood Coagulation Factor Xa
Biochemistry, 42, 2003
5J8G
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BU of 5j8g by Molmil
Structure of nitroreductase from E. cloacae complexed with para-nitrobenzoic acid
Descriptor: 4-NITROBENZOIC ACID, FLAVIN MONONUCLEOTIDE, Oxygen-insensitive NAD(P)H nitroreductase
Authors:Haynes, C.A, Koder, R.L, Miller, A.-F, Rodgers, D.W.
Deposit date:2016-04-07
Release date:2017-05-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mechanism-Informed Refinement Reveals Altered Substrate-Binding Mode for Catalytically Competent Nitroreductase.
Structure, 25, 2017
1JLI
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HUMAN INTERLEUKIN 3 (IL-3) MUTANT WITH TRUNCATION AT BOTH N-AND C-TERMINI AND 14 RESIDUE CHANGES, NMR, MINIMIZED AVERAGE STRUCTURE
Descriptor: INTERLEUKIN 3
Authors:Feng, Y, Klein, B.K, Mcwherter, C.A.
Deposit date:1995-12-14
Release date:1997-06-16
Last modified:2021-11-03
Method:SOLUTION NMR
Cite:Three-dimensional solution structure and backbone dynamics of a variant of human interleukin-3.
J.Mol.Biol., 259, 1996
5JH5
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Structural Basis for the Hierarchical Assembly of the Core of PRC1.1
Descriptor: BCL-6 corepressor-like protein 1, Lysine-specific demethylase 2B, Polycomb group RING finger protein 1, ...
Authors:Wong, S.J, Taylor, A.B, Hart, P.J, Kim, C.A.
Deposit date:2016-04-20
Release date:2016-09-14
Last modified:2016-10-19
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:KDM2B Recruitment of the Polycomb Group Complex, PRC1.1, Requires Cooperation between PCGF1 and BCORL1.
Structure, 24, 2016
1PD7
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Extended SID of Mad1 bound to the PAH2 domain of mSin3B
Descriptor: Mad1, Sin3b protein
Authors:Van Ingen, H, Lasonder, E, Jansen, J.F, Kaan, A.M, Spronk, C.A, Stunnenberg, H.G, Vuister, G.W.
Deposit date:2003-05-19
Release date:2004-01-20
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Extension of the binding motif of the sin3 interacting domain of the mad family proteins(,).
Biochemistry, 43, 2004
5JQD
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Antibody Fab Fragment
Descriptor: D80 Fab Fragment Heavy Chain, D80 Fab Fragment Light Chain
Authors:Zhang, Z, Prachanronarong, K, Gellatly, K, Marasco, W.A, Schiffer, C.A.
Deposit date:2016-05-04
Release date:2017-11-08
Last modified:2019-11-27
Method:X-RAY DIFFRACTION (2.591 Å)
Cite:Structural Basis of an Influenza Hemagglutinin Stem-Directed Antibody Retaining the G6 Idiotype
To Be Published
5JTE
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Cryo-EM structure of an ErmBL-stalled ribosome in complex with A-, P-, and E-tRNA
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Arenz, S, Bock, L.V, Graf, M, Innis, C.A, Beckmann, R, Grubmueller, H, Vaiana, A.C, Wilson, D.N.
Deposit date:2016-05-09
Release date:2016-07-20
Last modified:2019-12-11
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:A combined cryo-EM and molecular dynamics approach reveals the mechanism of ErmBL-mediated translation arrest.
Nat Commun, 7, 2016
1PJU
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BU of 1pju by Molmil
Unbound form of Tomato Inhibitor-II
Descriptor: SULFATE ION, Wound-induced proteinase inhibitor II
Authors:Barrette-Ng, I.H, Ng, K.K.-S, Cherney, M.M, Pearce, G, Ghani, U, Ryan, C.A, James, M.N.G.
Deposit date:2003-06-03
Release date:2003-09-16
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Unbound form of tomato inhibitor-II reveals interdomain flexibility and conformational variability in the reactive site loops
J.Biol.Chem., 278, 2003
1PK1
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Hetero SAM domain structure of Ph and Scm.
Descriptor: Polyhomeotic-proximal chromatin protein, Sex comb on midleg CG9495-PA
Authors:Kim, C.A, Sawaya, M.R, Cascio, D, Kim, W, Bowie, J.U.
Deposit date:2003-06-04
Release date:2005-02-15
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural organization of a Sex-comb-on-midleg/polyhomeotic copolymer.
J.Biol.Chem., 280, 2005
1PK3
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BU of 1pk3 by Molmil
Scm SAM domain
Descriptor: BETA-MERCAPTOETHANOL, Sex comb on midleg CG9495-PA
Authors:Kim, C.A, Sawaya, M.R, Cascio, D, Kim, W, Bowie, J.U.
Deposit date:2003-06-04
Release date:2005-02-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural organization of a Sex-comb-on-midleg/polyhomeotic copolymer.
J.Biol.Chem., 280, 2005
5KEG
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BU of 5keg by Molmil
Crystal structure of APOBEC3A in complex with a single-stranded DNA
Descriptor: CALCIUM ION, CHLORIDE ION, DNA (5'-D(*TP*TP*CP*TP*T)-3'), ...
Authors:Kouno, T, Hilbert, B.J, Silvas, T, Royer, W.E, Matsuo, H, Schiffer, C.A.
Deposit date:2016-06-09
Release date:2017-05-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of APOBEC3A bound to single-stranded DNA reveals structural basis for cytidine deamination and specificity.
Nat Commun, 8, 2017
5KEM
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BU of 5kem by Molmil
EBOV sGP in complex with variable Fab domains of IgGs c13C6 and BDBV91
Descriptor: BDBV91 variable Fab domain heavy chain, BDBV91 variable Fab domain light chain, Ebola secreted glycoprotein, ...
Authors:Pallesen, J, Murin, C.D, de Val, N, Cottrell, C.A, Hastie, K.M, Turner, H.L, Fusco, M.L, Flyak, A.I, Zeitlin, L, Crowe Jr, J.E, Andersen, K.G, Saphire, E.O, Ward, A.B.
Deposit date:2016-06-09
Release date:2016-09-07
Last modified:2019-12-11
Method:ELECTRON MICROSCOPY (5.5 Å)
Cite:Structures of Ebola virus GP and sGP in complex with therapeutic antibodies.
Nat Microbiol, 1, 2016
1PX2
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BU of 1px2 by Molmil
Crystal Structure of Rat Synapsin I C Domain Complexed to Ca.ATP (Form 1)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, Synapsin I
Authors:Brautigam, C.A, Chelliah, Y, Deisenhofer, J.
Deposit date:2003-07-02
Release date:2004-03-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Tetramerization and ATP binding by a protein comprising the A, B, and C domains of rat synapsin I.
J.Biol.Chem., 279, 2004
1NL6
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BU of 1nl6 by Molmil
Crystal Structure Of The Cysteine Protease Human Cathepsin K In Complex With A Covalent Azepanone Inhibitor
Descriptor: 5-(2-MORPHOLIN-4-YLETHOXY)BENZOFURAN-2-CARBOXYLIC ACID ((S)-3-METHYL-1-{(S)-3-OXO-1-[2-(3-PYRIDIN-2-YLPHENYL)ACETYL]AZEPAN-4-YLCARBAMOYL}BUTYL)AMIDE, Cathepsin K
Authors:Smith, W.W, Janson, C.A, Zhao, B.
Deposit date:2003-01-06
Release date:2003-01-14
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Azepanone-based inhibitors of human and rat cathepsin K
J.Med.Chem., 44, 2001
1NE8
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BU of 1ne8 by Molmil
YDCE protein from Bacillus subtilis
Descriptor: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, ACETIC ACID, conserved hypothetical protein YDCE
Authors:Gogos, A, Mu, H, Bahna, F, Gomez, C.A, Shapiro, L, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2002-12-10
Release date:2003-01-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of YdcE protein from Bacillus subtilis
PROTEINS: STRUCT.,FUNCT.,GENET., 53, 2003
7TN9
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BU of 7tn9 by Molmil
Structure of the Inmazeb cocktail and resistance to escape against Ebola virus
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein, GP2, ...
Authors:Rayaprolu, V, Fulton, B, Rafique, A, Arturo, E, Williams, D, Hariharan, C, Callaway, H, Parvate, A, Schendel, S.L, Parekh, D, Hui, S, Shaffer, K, Pascal, K.E, Wloga, E, Giordano, S, Copin, R, Franklin, M, Boytz, R.M, Donahue, C, Davey, R, Baum, A, Kyratsous, C.A, Saphire, E.O.
Deposit date:2022-01-20
Release date:2023-01-25
Last modified:2023-02-22
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structure of the Inmazeb cocktail and resistance to Ebola virus escape.
Cell Host Microbe, 31, 2023
7TXY
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BU of 7txy by Molmil
Crystal structure of the 2-Aminophenol 1,6-dioxygenase from the ARO bacterial microcompartment of Micromonospora rosaria
Descriptor: 2-amino-5-chlorophenol 1,6-dioxygenase subunit alpha, 2-aminophenol 1,6-dioxygenase subunit beta, FE (II) ION
Authors:Sutter, M, Doron, L, Kerfeld, C.A.
Deposit date:2022-02-10
Release date:2023-02-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Characterization of a novel aromatic substrate-processing microcompartment in Actinobacteria.
Mbio, 14, 2023
3MG1
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BU of 3mg1 by Molmil
Crystal structure of the orange carotenoid protein from cyanobacteria Synechocystis sp. PCC 6803
Descriptor: GLYCEROL, Orange carotenoid protein, beta,beta-caroten-4-one
Authors:Wilson, A, Kinney, J, Zwart, P.H, Punginelli, C, D'Haen, S, Perreau, F, Klein, M.G, Kirilovsky, D, Kerfeld, C.A.
Deposit date:2010-04-05
Release date:2010-04-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.649 Å)
Cite:Structural determinants underlying photoprotection in the photoactive orange carotenoid protein of cyanobacteria.
J.Biol.Chem., 285, 2010
1OIT
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BU of 1oit by Molmil
Imidazopyridines: a potent and selective class of Cyclin-dependent Kinase inhibitors identified through Structure-based hybridisation
Descriptor: 4-[(4-IMIDAZO[1,2-A]PYRIDIN-3-YLPYRIMIDIN-2-YL)AMINO]BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2
Authors:Beattie, J.F, Breault, G.A, Byth, K.F, Culshaw, J.D, Ellston, R.P.A, Green, S, Minshull, C.A, Norman, R.A, Pauptit, R.A, Thomas, A.P, Jewsbury, P.J.
Deposit date:2003-06-24
Release date:2003-09-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Imidazo[1,2-A]Pyridines: A Potent and Selective Class of Cyclin-Dependent Kinase Inhibitors Identified Through Structure-Based Hybridisation
Bioorg.Med.Chem.Lett., 13, 2003
1OIQ
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Imidazopyridines: a potent and selective class of Cyclin-dependent Kinase inhibitors identified through Structure-based hybridisation
Descriptor: CELL DIVISION PROTEIN KINASE 2, N-[4-(2-METHYLIMIDAZO[1,2-A]PYRIDIN-3-YL)-2-PYRIMIDINYL]ACETAMIDE
Authors:Beattie, J.F, Breault, G.A, Byth, K.F, Culshaw, J.D, Ellston, R.P.A, Green, S, Minshull, C.A, Norman, R.A, Pauptit, R.A, Thomas, A.P, Jewsbury, P.J.
Deposit date:2003-06-24
Release date:2003-09-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Imidazo[1,2-A]Pyridines: A Potent and Selective Class of Cyclin-Dependent Kinase Inhibitors Identified Through Structure-Based Hybridisation
Bioorg.Med.Chem.Lett., 13, 2003

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