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PDB: 12512 results

8VQX
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Structure of SARS-CoV-2 main protease with potent peptide aldehyde inhibitor
Descriptor: 1,2-ETHANEDIOL, 3C-like proteinase nsp5, DI(HYDROXYETHYL)ETHER, ...
Authors:Dougan, D.R, Lane, W.
Deposit date:2024-01-19
Release date:2024-08-07
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Exploiting high-energy hydration sites for the discovery of potent peptide aldehyde inhibitors of the SARS-CoV-2 main protease with cellular antiviral activity.
Bioorg.Med.Chem., 103, 2024
1B63
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MUTL COMPLEXED WITH ADPNP
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, MUTL, ...
Authors:Yang, W.
Deposit date:1999-01-20
Release date:1999-06-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Transformation of MutL by ATP binding and hydrolysis: a switch in DNA mismatch repair.
Cell(Cambridge,Mass.), 97, 1999
1B8D
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CRYSTAL STRUCTURE OF A PHYCOUROBILIN-CONTAINING PHYCOERYTHRIN
Descriptor: PHYCOERYTHROBILIN, PHYCOUROBILIN, PROTEIN (RHODOPHYTAN PHYCOERYTHRIN (ALPHA CHAIN)), ...
Authors:Ritter, S, Hiller, R.G, Wrench, P.M, Welte, W, Diederichs, K.
Deposit date:1999-01-29
Release date:1999-02-18
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of a phycourobilin-containing phycoerythrin at 1.90-A resolution.
J.Struct.Biol., 126, 1999
1A9E
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DECAMER-LIKE CONFORMATION OF A NANO-PEPTIDE BOUND TO HLA-B3501 DUE TO NONSTANDARD POSITIONING OF THE C-TERMINUS
Descriptor: BETA-2-MICROGLOBULIN, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, B-35 B*3501 (ALPHA CHAIN), ...
Authors:Menssen, R, Orth, P, Ziegler, A, Saenger, W.
Deposit date:1998-04-05
Release date:1998-10-21
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Decamer-like conformation of a nona-peptide bound to HLA-B*3501 due to non-standard positioning of the C terminus.
J.Mol.Biol., 285, 1999
721P
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BU of 721p by Molmil
THREE-DIMENSIONAL STRUCTURES OF H-RAS P21 MUTANTS: MOLECULAR BASIS FOR THEIR INABILITY TO FUNCTION AS SIGNAL SWITCH MOLECULES
Descriptor: H-RAS P21 PROTEIN, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
Authors:Krengel, U, Scherer, A, Kabsch, W, Wittinghofer, A, Pai, E.F.
Deposit date:1991-06-06
Release date:1994-01-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Three-dimensional structures of H-ras p21 mutants: molecular basis for their inability to function as signal switch molecules.
Cell(Cambridge,Mass.), 62, 1990
1A9B
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DECAMER-LIKE CONFORMATION OF A NANO-PEPTIDE BOUND TO HLA-B3501 DUE TO NONSTANDARD POSITIONING OF THE C-TERMINUS
Descriptor: BETA-2-MICROGLOBULIN, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, B-35 B*3501 (ALPHA CHAIN), ...
Authors:Menssen, R, Orth, P, Ziegler, A, Saenger, W.
Deposit date:1998-04-03
Release date:1998-10-21
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Decamer-like conformation of a nona-peptide bound to HLA-B*3501 due to non-standard positioning of the C terminus.
J.Mol.Biol., 285, 1999
1AFF
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BU of 1aff by Molmil
DNA QUADRUPLEX CONTAINING GGGG TETRADS AND (T.A).A TRIADS, NMR, 8 STRUCTURES
Descriptor: QUADRUPLEX DNA (5'-D(TP*AP*GP*G)-3')
Authors:Kettani, A, Bouaziz, S, Wang, W, Jones, R.A, Patel, D.J.
Deposit date:1997-03-06
Release date:1997-08-20
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Bombyx mori single repeat telomeric DNA sequence forms a G-quadruplex capped by base triads.
Nat.Struct.Biol., 4, 1997
1AHW
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BU of 1ahw by Molmil
A COMPLEX OF EXTRACELLULAR DOMAIN OF TISSUE FACTOR WITH AN INHIBITORY FAB (5G9)
Descriptor: IMMUNOGLOBULIN FAB 5G9 (HEAVY CHAIN), IMMUNOGLOBULIN FAB 5G9 (LIGHT CHAIN), TISSUE FACTOR
Authors:Huang, M, Syed, R, Stura, E.A, Stone, M.J, Stefanko, R.S, Ruf, W, Edgington, T.S, Wilson, I.A.
Deposit date:1997-04-10
Release date:1998-02-25
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (3 Å)
Cite:The mechanism of an inhibitory antibody on TF-initiated blood coagulation revealed by the crystal structures of human tissue factor, Fab 5G9 and TF.5G9 complex.
J.Mol.Biol., 275, 1998
7UYU
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BU of 7uyu by Molmil
Crystal structure of TYK2 kinase domain in complex with compound 30
Descriptor: 2-(2,6-difluorophenyl)-4-[4-(pyrrolidine-1-carbonyl)anilino]-5H-pyrrolo[3,4-b]pyridin-5-one, Non-receptor tyrosine-protein kinase TYK2, SULFATE ION
Authors:Toms, A.V, Leit, S, Greenwood, J.R, Mondal, S, Carriero, S, Dahlgren, M, Harriman, G.C, Kennedy-Smith, J.J, Kapeller, R, Lawson, J.P, Romero, D.L, Shelley, M, Wester, R.T, Westlin, W, Mc Elwee, J.J, Miao, W, Edmondson, S.D, Massee, C.E.
Deposit date:2022-05-07
Release date:2022-08-24
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Potent and selective TYK2-JH1 inhibitors highly efficacious in rodent model of psoriasis.
Bioorg.Med.Chem.Lett., 73, 2022
7UYR
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BU of 7uyr by Molmil
Crystal structure of TYK2 kinase domain in complex with compound 12
Descriptor: 2-(4-{[2-(2,6-difluorophenyl)-5-oxo-5H-pyrrolo[3,4-d]pyrimidin-4-yl]amino}phenyl)-N-ethylacetamide, Non-receptor tyrosine-protein kinase TYK2
Authors:Toms, A.V, Leit, S, Greenwood, J.R, Mondal, S, Carriero, S, Dahlgren, M, Harriman, G.C, Kennedy-Smith, J.J, Kapeller, R, Lawson, J.P, Romero, D.L, Shelley, M, Wester, R.T, Westlin, W, Mc Elwee, J.J, Miao, W, Edmondson, S.D, Massee, C.E.
Deposit date:2022-05-07
Release date:2022-08-24
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Potent and selective TYK2-JH1 inhibitors highly efficacious in rodent model of psoriasis.
Bioorg.Med.Chem.Lett., 73, 2022
7UYW
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BU of 7uyw by Molmil
Crystal structure of JAK2 kinase domain in complex with compound 30
Descriptor: 2-(2,6-difluorophenyl)-4-[4-(pyrrolidine-1-carbonyl)anilino]-5H-pyrrolo[3,4-b]pyridin-5-one, Tyrosine-protein kinase JAK2
Authors:Toms, A.V, Leit, S, Greenwood, J.R, Mondal, S, Carriero, S, Dahlgren, M, Harriman, G.C, Kennedy-Smith, J.J, Kapeller, R, Lawson, J.P, Romero, D.L, Shelley, M, Wester, R.T, Westlin, W, Mc Elwee, J.J, Miao, W, Edmondson, S.D, Massee, C.E.
Deposit date:2022-05-07
Release date:2022-08-24
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Potent and selective TYK2-JH1 inhibitors highly efficacious in rodent model of psoriasis.
Bioorg.Med.Chem.Lett., 73, 2022
7UYT
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BU of 7uyt by Molmil
Crystal structure of TYK2 kinase domain in complex with compound 25
Descriptor: 6-{[(2M)-2-(2-chloro-6-fluorophenyl)-5-oxo-5H-pyrrolo[3,4-b]pyridin-4-yl]amino}-N-ethylpyridine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2
Authors:Toms, A.V, Leit, S, Greenwood, J.R, Mondal, S, Carriero, S, Dahlgren, M, Harriman, G.C, Kennedy-Smith, J.J, Kapeller, R, Lawson, J.P, Romero, D.L, Shelley, M, Wester, R.T, Westlin, W, Mc Elwee, J.J, Miao, W, Edmondson, S.D, Massee, C.E.
Deposit date:2022-05-07
Release date:2022-08-24
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Potent and selective TYK2-JH1 inhibitors highly efficacious in rodent model of psoriasis.
Bioorg.Med.Chem.Lett., 73, 2022
1B9U
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BU of 1b9u by Molmil
MEMBRANE DOMAIN OF THE SUBUNIT B OF THE E.COLI ATP SYNTHASE
Descriptor: PROTEIN (ATP SYNTHASE)
Authors:Dmitriev, O, Jones, P.C, Jiang, W, Fillingame, R.H.
Deposit date:1999-02-15
Release date:1999-09-15
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Structure of the membrane domain of subunit b of the Escherichia coli F0F1 ATP synthase.
J.Biol.Chem., 274, 1999
1BEN
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BU of 1ben by Molmil
INSULIN COMPLEXED WITH 4-HYDROXYBENZAMIDE
Descriptor: 4-HYDROXYBENZAMIDE, CHLORIDE ION, HUMAN INSULIN, ...
Authors:Smith, G.D, Ciszak, E, Pangborn, W.
Deposit date:1996-02-15
Release date:1996-07-11
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A novel complex of a phenolic derivative with insulin: structural features related to the T-->R transition.
Protein Sci., 5, 1996
1BHY
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BU of 1bhy by Molmil
LOW TEMPERATURE MIDDLE RESOLUTION STRUCTURE OF P64K FROM MASC DATA
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, P64K
Authors:Ramin, M, Shepard, W, Fourme, R, Kahn, R.
Deposit date:1998-06-10
Release date:1998-11-04
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (4.18 Å)
Cite:Multiwavelength anomalous solvent contrast (MASC): derivation of envelope structure-factor amplitudes and comparison with model values.
Acta Crystallogr.,Sect.D, 55, 1999
1B66
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BU of 1b66 by Molmil
6-PYRUVOYL TETRAHYDROPTERIN SYNTHASE
Descriptor: 6-PYRUVOYL TETRAHYDROPTERIN SYNTHASE, BIOPTERIN, ZINC ION
Authors:Ploom, T, Thoeny, B, Yim, J, Lee, S, Nar, H, Leimbacher, W, Huber, R, Richardson, J, Auerbach, G.
Deposit date:1999-01-20
Release date:1999-04-27
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystallographic and kinetic investigations on the mechanism of 6-pyruvoyl tetrahydropterin synthase.
J.Mol.Biol., 286, 1999
1BHW
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BU of 1bhw by Molmil
LOW TEMPERATURE MIDDLE RESOLUTION STRUCTURE OF XYLOSE ISOMERASE FROM MASC DATA
Descriptor: XYLOSE ISOMERASE
Authors:Ramin, M, Shepard, W, Fourme, R, Kahn, R.
Deposit date:1998-06-10
Release date:1998-11-04
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (4.1 Å)
Cite:Multiwavelength anomalous solvent contrast (MASC): derivation of envelope structure-factor amplitudes and comparison with model values.
Acta Crystallogr.,Sect.D, 55, 1999
1C0L
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BU of 1c0l by Molmil
D-AMINO ACID OXIDASE: STRUCTURE OF SUBSTRATE COMPLEXES AT VERY HIGH RESOLUTION REVEAL THE CHEMICAL REACTTION MECHANISM OF FLAVIN DEHYDROGENATION
Descriptor: D-AMINO ACID OXIDASE, FLAVIN-ADENINE DINUCLEOTIDE, TRIFLUOROALANINE
Authors:Umhau, S, Molla, G, Diederichs, K, Pilone, M.S, Ghisla, S, Welte, W.
Deposit date:1999-07-16
Release date:2000-11-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:The x-ray structure of D-amino acid oxidase at very high resolution identifies the chemical mechanism of flavin-dependent substrate dehydrogenation.
Proc.Natl.Acad.Sci.USA, 97, 2000
1C0I
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BU of 1c0i by Molmil
CRYSTAL STRUCTURE OF D-AMINO ACID OXIDASE IN COMPLEX WITH TWO ANTHRANYLATE MOLECULES
Descriptor: 2-AMINOBENZOIC ACID, D-AMINO ACID OXIDASE, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Pollegioni, L, Diederichs, K, Molla, G, Umhau, S, Welte, W, Ghisla, S, Pilone, M.S.
Deposit date:1999-07-16
Release date:2002-02-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Yeast d-amino Acid oxidase: structural basis of its catalytic properties
J.Mol.Biol., 324, 2002
1CEW
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THE 2.0 ANGSTROMS X-RAY CRYSTAL STRUCTURE OF CHICKEN EGG WHITE CYSTATIN AND ITS POSSIBLE MODE OF INTERACTION WITH CYSTEINE PROTEINASES
Descriptor: CYSTATIN
Authors:Bode, W, Musil, D, Huber, R.
Deposit date:1993-04-21
Release date:1994-01-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2 Å)
Cite:The 2.0 A X-ray crystal structure of chicken egg white cystatin and its possible mode of interaction with cysteine proteinases.
EMBO J., 7, 1988
4QWP
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BU of 4qwp by Molmil
co-crystal structure of chitosanase OU01 with substrate
Descriptor: 2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose, 2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Lyu, Q, Liu, W, Han, B.
Deposit date:2014-07-17
Release date:2015-07-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural and biochemical insights into the degradation mechanism of chitosan by chitosanase OU01.
Biochim.Biophys.Acta, 1850, 2015
3L15
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BU of 3l15 by Molmil
Human Tead2 transcriptional factor
Descriptor: GLYCEROL, Transcriptional enhancer factor TEF-4
Authors:Tomchick, D.R, Luo, X, Tian, W.
Deposit date:2009-12-10
Release date:2010-04-07
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and functional analysis of the YAP-binding domain of human TEAD2.
Proc.Natl.Acad.Sci.USA, 107, 2010
4I6P
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Crystal structure of Par3-NTD domain
Descriptor: Partitioning defective 3 homolog
Authors:Wang, W, Gao, F, Gong, W, Sun, F, Feng, W.
Deposit date:2012-11-29
Release date:2013-07-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural insights into the intrinsic self-assembly of par-3 N-terminal domain.
Structure, 21, 2013
6CIJ
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BU of 6cij by Molmil
Cryo-EM structure of mouse RAG1/2 HFC complex containing partial HMGB1 linker(3.9 A)
Descriptor: CALCIUM ION, DNA (30-MER), DNA (41-MER), ...
Authors:Chen, X, Kim, M, Chuenchor, W, Cui, Y, Zhang, X, Zhou, Z.H, Gellert, M, Yang, W.
Deposit date:2018-02-24
Release date:2018-04-25
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Cracking the DNA Code for V(D)J Recombination.
Mol. Cell, 70, 2018
1WOF
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Crystal Structure Of SARS-CoV Mpro in Complex with an Inhibitor N1
Descriptor: 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]-L-ALANYL-L-VALYL-N~1~-((1S)-4-ETHOXY-4-OXO-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
Authors:Yang, H, Bartlam, M, Xue, X, Yang, K, Liang, W, Rao, Z.
Deposit date:2004-08-18
Release date:2005-08-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases.
Plos Biol., 3, 2005

223532

數據於2024-08-07公開中

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