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3RT0
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BU of 3rt0 by Molmil
Crystal structure of PYL10-HAB1 complex in the absence of abscisic acid (ABA)
Descriptor: Abscisic acid receptor PYL10, MAGNESIUM ION, Protein phosphatase 2C 16
Authors:Hao, Q, Yin, P, Li, W, Wang, L, Yan, C, Wang, J, Yan, N.
Deposit date:2011-05-02
Release date:2011-06-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.113 Å)
Cite:The Molecular Basis of ABA-Independent Inhibition of PP2Cs by a Subclass of PYL Proteins
Mol.Cell, 42, 2011
3RLQ
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BU of 3rlq by Molmil
Co-crystal structure of the HSP90 ATP binding domain in complex with 4-(2,4-dichloro-5-methoxyphenyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidine-5- carbonitrile
Descriptor: 4-(2,4-dichloro-5-methoxyphenyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Heat shock protein HSP 90-alpha, PHOSPHATE ION
Authors:Kung, P.-P, Sinnema, P.-J, Richardson, P, Hickey, M.J, Gajiwala, K.S, Wang, F, Huang, B, McClellan, G, Wang, J, Maegley, K, Bergqvist, S, Mehta, P.P, Kania, R.
Deposit date:2011-04-20
Release date:2011-06-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Design strategies to target crystallographic waters applied to the Hsp90 molecular chaperone.
Bioorg.Med.Chem.Lett., 21, 2011
3RT2
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BU of 3rt2 by Molmil
Crystal structure of apo-PYL10
Descriptor: Abscisic acid receptor PYL10
Authors:Hao, Q, Yin, P, Li, W, Wang, L, Yan, C, Wang, J, Yan, N.
Deposit date:2011-05-02
Release date:2011-06-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The Molecular Basis of ABA-Independent Inhibition of PP2Cs by a Subclass of PYL Proteins
Mol.Cell, 42, 2011
3NFS
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BU of 3nfs by Molmil
Crystal structure the Fab fragment of therapeutic antibody daclizumab
Descriptor: Heavy chain of Fab fragment of daclizumab, Light chain of Fab fragment of daclizumab
Authors:Yang, H, Wang, J, Du, J, Zhong, C, Guo, Y, Ding, J.
Deposit date:2010-06-10
Release date:2010-09-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis of immunosuppression by the therapeutic antibody daclizumab
Cell Res., 20, 2010
3RLP
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BU of 3rlp by Molmil
Co-crystal structure of the HSP90 ATP binding domain in complex with 4-(2,4-dichloro-5-methoxyphenyl)-6-methylpyrimidin-2-amine
Descriptor: 4-(2,4-dichloro-5-methoxyphenyl)-6-methylpyrimidin-2-amine, Heat shock protein HSP 90-alpha, PHOSPHATE ION
Authors:Kung, P.-P, Sinnema, P.-J, Richardson, P, Hickey, M.J, Gajiwala, K.S, Wang, F, Huang, B, McClellan, G, Wang, J, Maegley, K, Bergqvist, S, Mehta, P.P, Kania, R.
Deposit date:2011-04-20
Release date:2011-06-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design strategies to target crystallographic waters applied to the Hsp90 molecular chaperone.
Bioorg.Med.Chem.Lett., 21, 2011
4YNZ
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BU of 4ynz by Molmil
Structure of the N-terminal domain of SAD
Descriptor: Serine/threonine-protein kinase BRSK2
Authors:Wu, J.X, Wang, J, Chen, L, Wang, Z.X, Wu, J.W.
Deposit date:2015-03-11
Release date:2015-12-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural insight into the mechanism of synergistic autoinhibition of SAD kinases
Nat Commun, 6, 2015
3QNO
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BU of 3qno by Molmil
RB69 DNA Polymerase (Y567A) Ternary Complex with dATP Opposite 3tCo
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA Polymerase, ...
Authors:Xia, S, Wang, M, Wang, J, Konigsberg, W.H.
Deposit date:2011-02-08
Release date:2012-03-14
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Using a Fluorescent Cytosine Analogue tC(o) To Probe the Effect of the Y567 to Ala Substitution on the Preinsertion Steps of dNMP Incorporation by RB69 DNA Polymerase.
Biochemistry, 51, 2012
5G2Y
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BU of 5g2y by Molmil
Structure a of Group II Intron Complexed with its Reverse Transcriptase
Descriptor: GROUP II INTRON
Authors:Qu, G, Kaushal, P.S, Wang, J, Shigematsu, H, Piazza, C.L, Agrawal, R.K, Belfort, M, Wang, H.W.
Deposit date:2016-04-16
Release date:2016-05-04
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Structure of a Group II Intron in Complex with its Reverse Transcriptase.
Nat.Struct.Mol.Biol., 23, 2016
3RLR
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BU of 3rlr by Molmil
Co-crystal structure of the HSP90 ATP binding domain in complex with 4-(2,4-dichloro-5-methoxyphenyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Descriptor: 4-(2,4-dichloro-5-methoxyphenyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Heat shock protein HSP 90-alpha, PHOSPHATE ION
Authors:Kung, P.-P, Sinnema, P.-J, Richardson, P, Hickey, M.J, Gajiwala, K.S, Wang, F, Huang, B, McClellan, G, Wang, J, Maegley, K, Bergqvist, S, Mehta, P.P, Kania, R.
Deposit date:2011-04-20
Release date:2011-06-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design strategies to target crystallographic waters applied to the Hsp90 molecular chaperone.
Bioorg.Med.Chem.Lett., 21, 2011
4B99
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BU of 4b99 by Molmil
Crystal Structure of MAPK7 (ERK5) with inhibitor
Descriptor: 11-cyclopentyl-2-[[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl-phenyl]amino]-5-methyl-pyrimido[4,5-b][1,4]benzodiazepin-6-one, MITOGEN-ACTIVATED PROTEIN KINASE 7
Authors:Elkins, J.M, Wang, J, Vollmar, M, Mahajan, P, Savitsky, P, Deng, X, Gray, N.S, Pike, A.C.W, von Delft, F, Bountra, C, Arrowsmith, C, Edwards, A, Knapp, S.
Deposit date:2012-09-03
Release date:2012-09-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:X-Ray Crystal Structure of Erk5 (Mapk7) in Complex with a Specific Inhibitor.
J.Med.Chem., 56, 2013
2JYF
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BU of 2jyf by Molmil
Tetraloop-receptor RNA complex
Descriptor: RNA (43-MER)
Authors:Zuo, X, Wang, J, Foster, T.R, Schwieters, C.D, Tiede, D.M.
Deposit date:2007-12-13
Release date:2008-10-07
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Tetraloop-receptor RNA complex
To be Published
3NFP
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BU of 3nfp by Molmil
Crystal structure of the Fab fragment of therapeutic antibody daclizumab in complex with IL-2Ra (CD25) ectodomain
Descriptor: Heavy chain of Fab fragment of daclizumab, Interleukin-2 receptor subunit alpha, Light chain of Fab fragment of daclizumab
Authors:Yang, H, Wang, J, Du, J, Zhong, C, Guo, Y, Ding, J.
Deposit date:2010-06-10
Release date:2010-09-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Structural basis of immunosuppression by the therapeutic antibody daclizumab
Cell Res., 20, 2010
4DTJ
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BU of 4dtj by Molmil
RB69 DNA Polymerase Ternary Complex with dTTP Opposite an Abasic Site and ddT/dA as the Penultimate Base-pair
Descriptor: CALCIUM ION, DNA polymerase, DNA primer, ...
Authors:Xia, S, Wang, J, Konigsberg, W.H.
Deposit date:2012-02-21
Release date:2012-06-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Contribution of Partial Charge Interactions and Base Stacking to the Efficiency of Primer Extension at and beyond Abasic Sites in DNA.
Biochemistry, 51, 2012
4DU3
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BU of 4du3 by Molmil
RB69 DNA Polymerase Ternary Complex with dDTP Opposite dT with 3-Deaza-adenine at the N-1 Position of Template Strand
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA polymerase, ...
Authors:Xia, S, Wang, J, Konigsberg, W.H.
Deposit date:2012-02-21
Release date:2012-05-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Probing minor groove hydrogen bonding interactions between RB69 DNA polymerase and DNA.
Biochemistry, 51, 2012
4DTO
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BU of 4dto by Molmil
RB69 DNA Polymerase Ternary Complex with dCTP Opposite an Abasic Site and ddA/dT as the Penultimate Base-pair
Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA polymerase, ...
Authors:Xia, S, Wang, J, Konigsberg, W.H.
Deposit date:2012-02-21
Release date:2012-06-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Contribution of Partial Charge Interactions and Base Stacking to the Efficiency of Primer Extension at and beyond Abasic Sites in DNA.
Biochemistry, 51, 2012
3SNN
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BU of 3snn by Molmil
RB69 DNA Polymerase (L561A/S565G/Y567A) Ternary Complex with dCTP Opposite dG in the presence of Mg2+
Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 5'-D(*GP*CP*GP*GP*AP*CP*TP*GP*CP*TP*TP*AP*(DOC))-3', 5'-D(*TP*CP*AP*GP*GP*TP*AP*AP*GP*CP*AP*GP*TP*CP*CP*GP*CP*G)-3', ...
Authors:Wang, M, Wang, J, Konigsberg, W.H.
Deposit date:2011-06-29
Release date:2011-10-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Insights into Complete Metal Ion Coordination from Ternary Complexes of B Family RB69 DNA Polymerase.
Biochemistry, 50, 2011
4EAK
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BU of 4eak by Molmil
Co-crystal structure of an AMPK core with ATP
Descriptor: 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-1, 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 (2.5 Å)
Cite:AMP-activated protein kinase undergoes nucleotide-dependent conformational changes
Nat.Struct.Mol.Biol., 19, 2012
4EAL
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BU of 4eal by Molmil
Co-crystal of AMPK core with ATP soaked with AMP
Descriptor: 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-1, 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 (2.506 Å)
Cite:AMP-activated protein kinase undergoes nucleotide-dependent conformational changes
Nat.Struct.Mol.Biol., 19, 2012
8FTL
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BU of 8ftl by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease (Mpro) in complex with inhibitor Jun89-3-C1
Descriptor: 3C-like proteinase nsp5, N-([1,1'-biphenyl]-4-yl)-2-chloro-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]acetamide
Authors:Lewandowski, E.M, Butler, S.G, Hu, Y, Tan, H, Wang, J, Chen, Y.
Deposit date:2023-01-12
Release date:2024-01-17
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Crystal structure of the SARS-CoV-2 (COVID-19) main protease (Mpro) in complex with inhibitor Jun89-3-C1
To Be Published
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
4EAG
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BU of 4eag by Molmil
Co-crystal structure of an chimeric AMPK core with ATP
Descriptor: 5'-AMP-activated protein kinase subunit beta-1, 5'-AMP-activated protein kinase subunit gamma-1, ADENOSINE-5'-TRIPHOSPHATE, ...
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 (2.701 Å)
Cite:AMP-activated protein kinase undergoes nucleotide-dependent conformational changes
Nat.Struct.Mol.Biol., 19, 2012
3HPH
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BU of 3hph by Molmil
Closed tetramer of Visna virus integrase (residues 1-219) in complex with LEDGF IBD
Descriptor: GLYCEROL, Integrase, PC4 and SFRS1-interacting protein, ...
Authors:Hare, S, Wang, J, Cherepanov, P.
Deposit date:2009-06-04
Release date:2009-07-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Structural basis for functional tetramerization of lentiviral integrase
Plos Pathog., 5, 2009
8ISJ
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BU of 8isj by Molmil
Pr conformer of Arabidopsis thaliana phytochrome A - AtphyA-Pr
Descriptor: 3-[5-[[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, Phytochrome A
Authors:Zhang, Y, Ma, C, Zhao, J, Gao, N, Wang, J.
Deposit date:2023-03-20
Release date:2023-08-09
Last modified:2023-10-11
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural insights into plant phytochrome A as a highly sensitized photoreceptor.
Cell Res., 33, 2023
4UIF
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BU of 4uif by Molmil
Cryo-EM structure of Dengue virus serotype 2 in complex with antigen-binding fragments of human antibody 2D22
Descriptor: ANTIGEN-BINDING FRAGMENT OF HUMAN ANTIBODY 2D22 - HEAVY CHAIN, ANTIGEN-BINDING FRAGMENT OF HUMAN ANTIBODY 2D22 - LIGHT CHAIN, DENGUE VIRUS SEROTYPE 2 STRAIN PVP94 07 - ENVELOPE PROTEIN, ...
Authors:Fibriansah, G, Ibarra, K.D, Ng, T.-S, Smith, S.A, Tan, J.L, Lim, X.-N, Ooi, J.S.G, Kostyuchenko, V.A, Wang, J, de Silva, A.M, Harris, E, Crowe Junior, J.E, Lok, S.-M.
Deposit date:2015-03-30
Release date:2015-07-15
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (6.5 Å)
Cite:Cryo-EM structure of an antibody that neutralizes dengue virus type 2 by locking E protein dimers.
Science, 349, 2015
4UIH
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BU of 4uih by Molmil
Cryo-EM structure of Dengue virus serotype 2 strain New Guinea-C complexed with human antibody 2D22 Fab at 37 degree C. The Fab molecules were added to the virus before 37 degree C incubation.
Descriptor: ANTIGEN-BINDING FRAGMENT OF HUMAN ANTIBODY 2D22 -HEAVY CHAIN, ANTIGEN-BINDING FRAGMENT OF HUMAN ANTIBODY 2D22 -LIGHT CHAIN, DENGUE VIRUS SEROTYPE 2 STRAIN NEW GUINEA-C E PROTEIN ECTODOMAIN
Authors:Fibriansah, G, Ibarra, K.D, Ng, T.-S, Smith, S.A, Tan, J.L, Lim, X.N, Ooi, J.S.G, Kostyuchenko, V.A, Wang, J, de Silva, A.M, Harris, E, Crowe, J.E, Lok, S.-M.
Deposit date:2015-03-30
Release date:2015-07-15
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (20 Å)
Cite:Cryo-EM structure of an antibody that neutralizes dengue virus type 2 by locking E protein dimers.
Science, 349, 2015

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