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7SQE
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BU of 7sqe by Molmil
Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with Jun9-84-3 inhibitor
Descriptor: (1R)-N-[(1H-indol-3-yl)methyl]-N-methyl-1-(naphthalen-1-yl)ethan-1-amine, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Osipiuk, J, Tesar, C, Endres, M, Wang, J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-11-05
Release date:2021-11-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with Jun9-84-3 inhibitor
To be Published
6DCG
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BU of 6dcg by Molmil
Discovery of MK-8353: An Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology
Descriptor: (3S)-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}-2-oxoethyl)-N-(3-{6-[(propan-2-yl)oxy]pyridin-3-yl}-1H-indazol-5-yl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION
Authors:Boga, S.B, Deng, Y, Zhu, L, Nan, Y, Cooper, A, Shipps Jr, G.W, Doll, R, Shih, N, Zhu, H, Sun, R, Wang, T, Paliwal, S, Tsui, H, Gao, X, Yao, X, Desai, J, Wang, J, Alhassan, A.B, Kelly, J, Patel, M, Muppalla, K, Gudipati, S, Zhang, L, Buevich, A, Hesk, D, Carr, D, Dayananth, P, Mei, H, Cox, K, Sherborne, B, Hruza, A.W, Xiao, L, Jin, W, Long, B, Liu, G, Taylor, S.A, Kirschmeier, P, Windsor, W.T, Bishop, R, Samatar, A.A.
Deposit date:2018-05-06
Release date:2018-08-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:MK-8353: Discovery of an Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology.
ACS Med Chem Lett, 9, 2018
1IH7
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BU of 1ih7 by Molmil
High-Resolution Structure of Apo RB69 DNA Polymerase
Descriptor: DNA POLYMERASE, GUANOSINE, POTASSIUM ION
Authors:Franklin, M.C, Wang, J, Steitz, T.A.
Deposit date:2001-04-18
Release date:2001-06-13
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Structure of the Replicating Complex of a Pol alpha Family DNA Polymerase
Cell(Cambridge,Mass.), 105, 2001
3NAE
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BU of 3nae by Molmil
RB69 DNA Polymerase (Y567A) Ternary Complex with dATP Opposite Guanidinohydantoin
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*GP*CP*GP*GP*AP*CP*TP*GP*CP*TP*TP*AP*(DOC))-3'), ...
Authors:Wang, M, Beckman, J, Blaha, G, Wang, J, Konigsberg, W.H.
Deposit date:2010-06-01
Release date:2010-09-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.003 Å)
Cite:Substitution of Ala for Tyr567 in RB69 DNA Polymerase Allows dAMP and dGMP To Be Inserted opposite Guanidinohydantoin .
Biochemistry, 49, 2010
8D4P
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BU of 8d4p by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor Jun10-90-3-C1
Descriptor: 2-chloro-N-[(1R)-2-{[2-(3-fluorophenyl)ethyl]amino}-2-oxo-1-(pyridin-3-yl)ethyl]-N-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl]acetamide, 3C-like proteinase
Authors:Butler, S.G, Chen, Y, Wang, J.
Deposit date:2022-06-02
Release date:2023-06-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor Jun10-90-3-C1
To Be Published
8EHK
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BU of 8ehk by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) T135I Mutant
Descriptor: 3C-like proteinase nsp5
Authors:Lewandowski, E.M, Hu, Y, Tan, H, Wang, J, Chen, Y.
Deposit date:2022-09-14
Release date:2022-09-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Crystal Structure of SARS-CoV-2 Main Protease (Mpro) T135I Mutant
To Be Published
8EHJ
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BU of 8ehj by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) H172Q Mutant
Descriptor: 3C-like proteinase nsp5
Authors:Lewandowski, E.M, Hu, Y, Tan, H, Wang, J, Chen, Y.
Deposit date:2022-09-14
Release date:2022-09-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Crystal Structure of SARS-CoV-2 Main Protease (Mpro) H172Q Mutant
To Be Published
8EHL
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BU of 8ehl by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) S144M Mutant
Descriptor: 3C-like proteinase nsp5
Authors:Lewandowski, E.M, Hu, Y, Tan, H, Wang, J, Chen, Y.
Deposit date:2022-09-14
Release date:2022-09-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Crystal Structure of SARS-CoV-2 Main Protease (Mpro) S144M Mutant
To Be Published
8EHM
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BU of 8ehm by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) S144F Mutant
Descriptor: 3C-like proteinase nsp5
Authors:Lewandowski, E.M, Hu, Y, Tan, H, Wang, J, Chen, Y.
Deposit date:2022-09-14
Release date:2022-09-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Crystal Structure of SARS-CoV-2 Main Protease (Mpro) S144F Mutant
To Be Published
8HF0
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BU of 8hf0 by Molmil
DmDcr-2/R2D2/LoqsPD with 50bp-dsRNA in Dimer state
Descriptor: Dicer-2, isoform A, LD06392p, ...
Authors:Su, S, Wang, J, Wang, H.W, Ma, J.
Deposit date:2022-11-09
Release date:2023-09-06
Method:ELECTRON MICROSCOPY (3.72 Å)
Cite:Structural mechanism of R2D2 and Loqs-PD synergistic modulation on DmDcr-2 oligomers.
Nat Commun, 14, 2023
1QRZ
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BU of 1qrz by Molmil
CATALYTIC DOMAIN OF PLASMINOGEN
Descriptor: PLASMINOGEN
Authors:Peisach, E, Wang, J, de los Santos, T, Reich, E, Ringe, D.
Deposit date:1999-06-16
Release date:1999-10-14
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the proenzyme domain of plasminogen.
Biochemistry, 38, 1999
3R45
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BU of 3r45 by Molmil
Structure of a CENP-A-Histone H4 Heterodimer in complex with chaperone HJURP
Descriptor: GLYCEROL, Histone H3-like centromeric protein A, Histone H4, ...
Authors:Hu, H, Liu, Y, Wang, M, Fang, J, Huang, H, Yang, N, Li, Y, Wang, J, Yao, X, Shi, Y, Li, G, Xu, R.M.
Deposit date:2011-03-17
Release date:2011-04-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of a CENP-A-histone H4 heterodimer in complex with chaperone HJURP
Genes Dev., 25, 2011
2EX3
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BU of 2ex3 by Molmil
Bacteriophage phi29 DNA polymerase bound to terminal protein
Descriptor: DNA polymerase, DNA terminal protein, LEAD (II) ION
Authors:Kamtekar, S, Berman, A.J, Wang, J, de Vega, M, Blanco, L, Salas, M, Steitz, T.A.
Deposit date:2005-11-07
Release date:2006-03-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3 Å)
Cite:The phi29 DNA polymerase:protein-primer structure suggests a model for the initiation to elongation transition
Embo J., 25, 2006
3CD4
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BU of 3cd4 by Molmil
REFINEMENT AND ANALYSIS OF THE FIRST TWO DOMAINS OF HUMAN CD4
Descriptor: T CELL SURFACE GLYCOPROTEIN CD4
Authors:Garrett, T.P.J, Wang, J, Yan, Y, Harrison, S.C.
Deposit date:1992-07-30
Release date:1993-10-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Refinement and analysis of the structure of the first two domains of human CD4
J.Mol.Biol., 234, 1993
1FFY
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BU of 1ffy by Molmil
INSIGHTS INTO EDITING FROM AN ILE-TRNA SYNTHETASE STRUCTURE WITH TRNA(ILE) AND MUPIROCIN
Descriptor: ISOLEUCYL-TRNA, ISOLEUCYL-TRNA SYNTHETASE, MAGNESIUM ION, ...
Authors:Silvian, L.F, Wang, J, Steitz, T.A.
Deposit date:2000-07-26
Release date:2000-08-07
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Insights into editing from an ile-tRNA synthetase structure with tRNAile and mupirocin.
Science, 285, 1999
3KCU
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BU of 3kcu by Molmil
Structure of formate channel
Descriptor: 2-(6-(2-CYCLOHEXYLETHOXY)-TETRAHYDRO-4,5-DIHYDROXY-2(HYDROXYMETHYL)-2H-PYRAN-3-YLOXY)-TETRAHYDRO-6(HYDROXYMETHYL)-2H-PY RAN-3,4,5-TRIOL, Probable formate transporter 1
Authors:Wang, Y, Huang, Y, Wang, J, Yan, N, Shi, Y.
Deposit date:2009-10-22
Release date:2009-12-01
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.243 Å)
Cite:Structure of the formate transporter FocA reveals a pentameric aquaporin-like channel
Nature, 462, 2009
3KCV
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BU of 3kcv by Molmil
Structure of formate channel
Descriptor: Probable formate transporter 1
Authors:Wang, Y, Huang, Y, Wang, J, Yan, N, Shi, Y.
Deposit date:2009-10-22
Release date:2009-12-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.198 Å)
Cite:Structure of the formate transporter FocA reveals a pentameric aquaporin-like channel
Nature, 462, 2009
1XDS
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BU of 1xds by Molmil
Crystal structure of Aclacinomycin-10-hydroxylase (RdmB) in complex with S-adenosyl-L-methionine (SAM) and 11-deoxy-beta-rhodomycin (DbrA)
Descriptor: 11-DEOXY-BETA-RHODOMYCIN, Protein RdmB, S-ADENOSYLMETHIONINE
Authors:Jansson, A, Koskiniemi, H, Erola, A, Wang, J, Mantsala, P, Schneider, G, Niemi, J, Structural Proteomics in Europe (SPINE)
Deposit date:2004-09-08
Release date:2004-11-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Aclacinomycin 10-Hydroxylase Is a Novel Substrate-assisted Hydroxylase Requiring S-Adenosyl-L-methionine as Cofactor
J.Biol.Chem., 280, 2005
1XDU
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BU of 1xdu by Molmil
Crystal structure of Aclacinomycin-10-hydroxylase (RdmB) in complex with Sinefungin (SFG)
Descriptor: ACETATE ION, Protein RdmB, SINEFUNGIN
Authors:Jansson, A, Koskiniemi, H, Erola, A, Wang, J, Mantsala, P, Schneider, G, Niemi, J.
Deposit date:2004-09-08
Release date:2004-11-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Aclacinomycin 10-Hydroxylase Is a Novel Substrate-assisted Hydroxylase Requiring S-Adenosyl-L-methionine as Cofactor
J.Biol.Chem., 280, 2005
1XHX
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BU of 1xhx by Molmil
Phi29 DNA Polymerase, orthorhombic crystal form
Descriptor: DNA polymerase, MAGNESIUM ION, SULFATE ION
Authors:Kamtekar, S, Berman, A.J, Wang, J, Lazaro, J.M, de Vega, M, Blanco, L, Salas, M, Steitz, T.A.
Deposit date:2004-09-21
Release date:2004-12-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Insights into Strand Displacement and Processivity from the Crystal Structure of the Protein-Primed DNA Polymerase of Bacteriophage phi29
Mol.Cell, 16, 2004
4EAJ
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BU of 4eaj by Molmil
Co-crystal of AMPK core with AMP soaked with ATP
Descriptor: 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-2, 5'-AMP-activated protein kinase subunit gamma-1, ...
Authors:Chen, L, Wang, J, Zhang, Y.-Y, Yan, S.F, Neumann, D, Schlattner, U, Wang, Z.-X, Wu, J.-W.
Deposit date:2012-03-22
Release date:2012-06-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.609 Å)
Cite:AMP-activated protein kinase undergoes nucleotide-dependent conformational changes
Nat.Struct.Mol.Biol., 19, 2012
1XHZ
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BU of 1xhz by Molmil
Phi29 DNA polymerase, orthorhombic crystal form, ssDNA complex
Descriptor: 5'-D(*TP*TP*TP*TP*T)-3', DNA polymerase
Authors:Kamtekar, S, Berman, A.J, Wang, J, Lazaro, J.M, de Vega, M, Blanco, L, Salas, M, Steitz, T.A.
Deposit date:2004-09-21
Release date:2004-12-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Insights into Strand Displacement and Processivity from the Crystal Structure of the Protein-Primed DNA Polymerase of Bacteriophage phi29
Mol.Cell, 16, 2004
1I5T
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BU of 1i5t by Molmil
SOLUTION STRUCTURE OF CYANOFERRICYTOCHROME C
Descriptor: CYANIDE ION, CYTOCHROME C, HEME C
Authors:Yao, Y, Qian, C, Ye, K, Wang, J, Tang, W.
Deposit date:2001-02-28
Release date:2001-03-21
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Solution structure of cyanoferricytochrome c: ligand-controlled conformational flexibility and electronic structure of the heme moiety.
J.Biol.Inorg.Chem., 7, 2002
1ZHA
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BU of 1zha by Molmil
A. aeolicus KDO8PS R106G mutant in complex with PEP and R5P
Descriptor: 2-dehydro-3-deoxyphosphooctonate aldolase, CADMIUM ION, PHOSPHATE ION, ...
Authors:Xu, X, Kona, F, Wang, J, Lu, J, Stemmler, T, Gatti, D.L.
Deposit date:2005-04-25
Release date:2005-09-27
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:The Catalytic and Conformational Cycle of Aquifex aeolicus KDO8P Synthase: Role of the L7 Loop.
Biochemistry, 44, 2005
1ZJI
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BU of 1zji by Molmil
Aquifex aeolicus KDO8PS R106G mutant in complex with 2PGA and R5P
Descriptor: 2-PHOSPHOGLYCERIC ACID, 2-dehydro-3-deoxyphosphooctonate aldolase, CADMIUM ION, ...
Authors:Xu, X, Kona, F, Wang, J, Lu, J, Stemmler, T, Gatti, D.L.
Deposit date:2005-04-28
Release date:2005-09-27
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:The Catalytic and Conformational Cycle of Aquifex aeolicus KDO8P Synthase: Role of the L7 Loop
Biochemistry, 44, 2005

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