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PDB: 88608 results

6W4N
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BU of 6w4n by Molmil
Co-crystal structure of Pd_dinase with probe glycine-propargylglycine-AOMK
Descriptor: 2-azanyl-~{N}-[(3~{S})-2-oxidanylidenehex-5-yn-3-yl]ethanamide, Aminopeptidase, POTASSIUM ION
Authors:Xu, J.H, Solania, A, Wolan, D.W.
Deposit date:2020-03-11
Release date:2021-03-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.623 Å)
Cite:Co-crystal structure of Pd_dinase with probe glycine-propargylglycine-AOMK
To Be Published
3EPZ
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BU of 3epz by Molmil
Structure of the replication foci-targeting sequence of human DNA cytosine methyltransferase DNMT1
Descriptor: DNA (cytosine-5)-methyltransferase 1, GLYCEROL, SODIUM ION, ...
Authors:Walker, J.R, Avvakumov, G.V, Xue, S, Li, Y, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2008-09-30
Release date:2008-11-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:The replication focus targeting sequence (RFTS) domain is a DNA-competitive inhibitor of Dnmt1.
J.Biol.Chem., 286, 2011
3ESU
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BU of 3esu by Molmil
Crystal structure of anthrax-neutralizing single-chain antibody 14b7
Descriptor: Antibody 14b7* light chain and antibody 14b7* heavy chain linked with a synthetic (GGGGS)4 linker
Authors:Monzingo, A.F, Maynard, J.A, Iverson, B.L, Georgiou, G, Robertus, J.D.
Deposit date:2008-10-06
Release date:2009-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal structure of the engineered neutralizing antibody m18 complexed to domain 4 of the anthrax protective antigen.
J.Mol.Biol., 387, 2009
6PVL
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BU of 6pvl by Molmil
Cryo-EM structure of mouse TRPV3 in closed state at 42 degrees Celsius
Descriptor: SODIUM ION, Transient receptor potential cation channel subfamily V member 3
Authors:Singh, A.K, McGoldrick, L.L, Sobolevsky, A.I.
Deposit date:2019-07-21
Release date:2019-10-23
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Structural basis of temperature sensation by the TRP channel TRPV3.
Nat.Struct.Mol.Biol., 26, 2019
3ESO
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BU of 3eso by Molmil
Human transthyretin (TTR) complexed with N-(3,5-Dibromo-4-hydroxyphenyl)-2,5-dichlorobenzamide
Descriptor: 2,5-dichloro-N-(3,5-dibromo-4-hydroxyphenyl)benzamide, Transthyretin
Authors:Connelly, S, Wilson, I.A.
Deposit date:2008-10-06
Release date:2009-04-07
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Toward optimization of the second aryl substructure common to transthyretin amyloidogenesis inhibitors using biochemical and structural studies.
J.Med.Chem., 52, 2009
5KVG
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BU of 5kvg by Molmil
Zika specific antibody, ZV-67, bound to ZIKA envelope DIII
Descriptor: CHLORIDE ION, ZIKA Envelope DIII, ZV-67 Antibody Fab Heavy Chain, ...
Authors:Zhao, H, Nelson, C.A, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2016-07-14
Release date:2016-08-03
Last modified:2016-08-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural Basis of Zika Virus-Specific Antibody Protection.
Cell, 166, 2016
7TBB
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BU of 7tbb by Molmil
Crystal structure of Plasmepsin X from Plasmodium falciparum
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, GLYCEROL, ...
Authors:Christensen, J.B, Hodder, A.N, Dietrich, M.H, Scally, S.W, Cowman, A.F.
Deposit date:2021-12-21
Release date:2022-05-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Basis for drug selectivity of plasmepsin IX and X inhibition in Plasmodium falciparum and vivax.
Structure, 30, 2022
7BF3
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BU of 7bf3 by Molmil
Crystal structure of SARS-CoV-2 macrodomain in complex with adenosine
Descriptor: 1,2-ETHANEDIOL, ADENOSINE, MAGNESIUM ION, ...
Authors:Ni, X, Knapp, S, Chaikuad, A, Structural Genomics Consortium, Structural Genomics Consortium (SGC)
Deposit date:2020-12-31
Release date:2021-01-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Insights into Plasticity and Discovery of Remdesivir Metabolite GS-441524 Binding in SARS-CoV-2 Macrodomain.
Acs Med.Chem.Lett., 12, 2021
8A8Y
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BU of 8a8y by Molmil
Structure of truncated 1-deoxy-D-xylulose 5-phosphate synthase (DXS) from Klebsiella pneumoniae
Descriptor: 1-deoxy-D-xylulose-5-phosphate synthase
Authors:Adam, S, Hirsch, A.
Deposit date:2022-06-24
Release date:2023-07-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.10000443 Å)
Cite:Structure of truncated 1-deoxy-D-xylulose 5-phosphate synthase (DXS) from Klebsiella pneumoniae
To Be Published
6PVM
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BU of 6pvm by Molmil
Cryo-EM structure of mouse TRPV3 in putative sensitized state at 42 degrees Celsius
Descriptor: SODIUM ION, Transient receptor potential cation channel subfamily V member 3
Authors:Singh, A.K, McGoldrick, L.L, Sobolevsky, A.I.
Deposit date:2019-07-21
Release date:2019-10-23
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Structural basis of temperature sensation by the TRP channel TRPV3.
Nat.Struct.Mol.Biol., 26, 2019
1STE
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BU of 1ste by Molmil
STAPHYLOCOCCAL ENTEROTOXIN C2 FROM STAPHYLOCOCCUS AUREUS
Descriptor: STAPHYLOCOCCAL ENTEROTOXIN C2, ZINC ION
Authors:Acharya, K.R, Papageorgiou, A.C.
Deposit date:1995-08-21
Release date:1996-12-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the superantigen enterotoxin C2 from Staphylococcus aureus reveals a zinc-binding site.
Structure, 3, 1995
3ESS
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BU of 3ess by Molmil
Catalytic fragment of Cholix toxin from Vibrio Cholerae in complex with the 1,8-Naphthalimide inhibitor
Descriptor: 1H-benzo[de]isoquinoline-1,3(2H)-dione, Cholix toxin
Authors:Merrill, A.R, Jorgensen, R.
Deposit date:2008-10-06
Release date:2009-09-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.191 Å)
Cite:Yeast as a tool for characterizing mono-ADP-ribosyltransferase toxins
Fems Microbiol.Lett., 300, 2009
6VR8
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BU of 6vr8 by Molmil
Structure of a pseudomurein peptide ligase type E from Methanothermus fervidus
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, Mur ligase middle domain protein, ...
Authors:Carbone, V, Schofield, L.R, Sutherland-Smith, A.J, Ronimus, R.S, Subedi, B.P.
Deposit date:2020-02-06
Release date:2021-08-11
Last modified:2023-02-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural characterisation of methanogen pseudomurein cell wall peptide ligases homologous to bacterial MurE/F murein peptide ligases.
Microbiology (Reading, Engl.), 168, 2022
2WFO
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BU of 2wfo by Molmil
Crystal structure of Machupo virus envelope glycoprotein GP1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCOPROTEIN 1
Authors:Bowden, T.A, Crispin, M, Graham, S.C, Harvey, D.J, Grimes, J.M, Jones, E.Y, Stuart, D.I.
Deposit date:2009-04-09
Release date:2009-06-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Unusual Molecular Architecture of the Machupo Virus Attachment Glycoprotein.
J.Virol., 83, 2009
7T0P
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BU of 7t0p by Molmil
JAK2 JH2 IN COMPLEX WITH JAK315
Descriptor: 4'-{[5-amino-3-(4-sulfamoylanilino)-1H-1,2,4-triazole-1-carbonyl]amino}-4-(benzyloxy)[1,1'-biphenyl]-3-carboxylic acid, GLYCEROL, Tyrosine-protein kinase JAK2
Authors:Ippolito, J.A, Liosi, M.-E, Krimmer, S.G, Schlessinger, J, Jorgensen, W.L.
Deposit date:2021-11-30
Release date:2022-06-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Insights on JAK2 Modulation by Potent, Selective, and Cell-Permeable Pseudokinase-Domain Ligands.
J.Med.Chem., 65, 2022
6Q7K
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BU of 6q7k by Molmil
ERK2 mini-fragment binding
Descriptor: 1H-imidazol-2-amine, Mitogen-activated protein kinase 1, SULFATE ION
Authors:O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H.
Deposit date:2018-12-13
Release date:2019-03-27
Last modified:2019-05-22
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
3ESN
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BU of 3esn by Molmil
Human transthyretin (TTR) complexed with N-(3,5-Dibromo-4-hydroxyphenyl)-2,6-dimethylbenzamide
Descriptor: N-(3,5-dibromo-4-hydroxyphenyl)-2,6-dimethylbenzamide, Transthyretin
Authors:Connelly, S, Wilson, I.A.
Deposit date:2008-10-06
Release date:2009-04-07
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Toward optimization of the second aryl substructure common to transthyretin amyloidogenesis inhibitors using biochemical and structural studies.
J.Med.Chem., 52, 2009
7T70
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BU of 7t70 by Molmil
Co-crystal structure of SARS-CoV-2 Mpro C145A with substrate peptide 4/5
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Shaqra, A.M, Schiffer, C.A.
Deposit date:2021-12-14
Release date:2022-06-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance.
Nat Commun, 13, 2022
7TA4
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BU of 7ta4 by Molmil
Co-crystal structure of SARS-CoV-2 Mpro C145A with substrate peptide 9/10
Descriptor: 3C-like proteinase, Nonstructural protein 9/10
Authors:Shaqra, A.M, Schiffer, C.A.
Deposit date:2021-12-20
Release date:2022-06-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance.
Nat Commun, 13, 2022
4RIF
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BU of 4rif by Molmil
Landomycin Glycosyltransferase LanGT2, carbasugar substrate complex
Descriptor: 2'-deoxy-5'-O-[(R)-{[(R)-{[(1S,3R,4R,5S)-3,4-dihydroxy-5-methylcyclohexyl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3,4-dihydrothymidine, Glycosyl transferase homolog
Authors:Tam, H.K, Gerhardt, S, Breit, B, Bechthold, A, Einsle, O.
Deposit date:2014-10-06
Release date:2015-01-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural Characterization of O- and C-Glycosylating Variants of the Landomycin Glycosyltransferase LanGT2.
Angew.Chem.Int.Ed.Engl., 54, 2015
7T9Y
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BU of 7t9y by Molmil
Co-crystal structure of SARS-CoV-2 Mpro C145A with substrate peptide 8/9
Descriptor: 3C-like proteinase, GLYCEROL, Nonstructural protein 8/9
Authors:Shaqra, A.M, Schiffer, C.A.
Deposit date:2021-12-20
Release date:2022-06-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance.
Nat Commun, 13, 2022
7TA7
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BU of 7ta7 by Molmil
Co-crystal structure of SARS-CoV-2 Mpro C145A with substrate peptide 10/11
Descriptor: 3C-like proteinase, GLYCEROL, Nonstructural protein 10/11
Authors:Shaqra, A.M, Schiffer, C.A.
Deposit date:2021-12-20
Release date:2022-06-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance.
Nat Commun, 13, 2022
1T15
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BU of 1t15 by Molmil
Crystal Structure of the Brca1 BRCT Domains in Complex with the Phosphorylated Interacting Region from Bach1 Helicase
Descriptor: BRCA1 interacting protein C-terminal helicase 1, Breast cancer type 1 susceptibility protein
Authors:Clapperton, J.A, Manke, I.A, Lowery, D.M, Ho, T, Haire, L.F, Yaffe, M.B, Smerdon, S.J.
Deposit date:2004-04-15
Release date:2004-05-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure and mechanism of BRCA1 BRCT domain recognition of phosphorylated BACH1 with implications for cancer
Nat.Struct.Mol.Biol., 11, 2004
6WAP
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BU of 6wap by Molmil
Atomic-Resolution Structure of HIV-1 Capsid Tubes by Magic Angle Spinning NMR
Descriptor: HIV-1 capsid protein
Authors:Lu, M, Russell, R.W, Bryer, A, Quinn, C.M, Hou, G, Zhang, H, Schwieters, C.D, Perilla, J.R, Gronenborn, A.M, Polenova, T.
Deposit date:2020-03-25
Release date:2020-09-02
Last modified:2024-05-15
Method:SOLID-STATE NMR
Cite:Atomic-resolution structure of HIV-1 capsid tubes by magic-angle spinning NMR.
Nat.Struct.Mol.Biol., 27, 2020
4RIH
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BU of 4rih by Molmil
Chimeric Glycosyltransferase LanGT2S8Ac, carbasugar substrate complex
Descriptor: 2'-deoxy-5'-O-[(R)-{[(R)-{[(1S,3R,4R,5S)-3,4-dihydroxy-5-methylcyclohexyl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3,4-dihydrothymidine, Glycosyl transferase homolog,Glycosyl transferase, MAGNESIUM ION
Authors:Tam, H.K, Gerhardt, S, Breit, B, Bechthold, A, Einsle, O.
Deposit date:2014-10-06
Release date:2015-01-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Structural Characterization of O- and C-Glycosylating Variants of the Landomycin Glycosyltransferase LanGT2.
Angew.Chem.Int.Ed.Engl., 54, 2015

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数据于2024-07-24公开中

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