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PDB: 42745 results

5BYZ
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BU of 5byz by Molmil
ERK5 in complex with small molecule
Descriptor: 4-({5-fluoro-4-[2-methyl-1-(propan-2-yl)-1H-imidazol-5-yl]pyrimidin-2-yl}amino)-N-[2-(piperidin-1-yl)ethyl]benzamide, GLYCEROL, Mitogen-activated protein kinase 7
Authors:Chen, H, Tucker, J, Wang, X, Gavine, P.R, Philips, C, Augustin, M.A, Schreiner, P, Steinbacher, S, Preston, M, Ogg, D.
Deposit date:2015-06-11
Release date:2016-05-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Discovery of a novel allosteric inhibitor-binding site in ERK5: comparison with the canonical kinase hinge ATP-binding site.
Acta Crystallogr D Struct Biol, 72, 2016
1UCN
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BU of 1ucn by Molmil
X-ray structure of human nucleoside diphosphate kinase A complexed with ADP at 2 A resolution
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, ...
Authors:Chen, Y, Gallois-Montbrun, S, Schneider, B, Veron, M, Morera, S, Deville-Bonne, D, Janin, J.
Deposit date:2003-04-16
Release date:2003-09-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Nucleotide Binding to Nucleoside Diphosphate Kinases: X-ray Structure of Human NDPK-A in Complex with ADP and Comparison to Protein Kinases
J.Mol.Biol., 332, 2003
4Q88
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BU of 4q88 by Molmil
Glycosyl hydrolase family 88 from Bacteroides vulgatus
Descriptor: 1,2-ETHANEDIOL, SULFATE ION, Uncharacterized protein
Authors:Osipiuk, J, Li, H, Endres, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2014-04-25
Release date:2014-05-21
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Glycosyl hydrolase Family 88 from Bacteroides vulgatus
To be Published
2JQX
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BU of 2jqx by Molmil
Solution structure of Malate Synthase G from joint refinement against NMR and SAXS data
Descriptor: Malate synthase G
Authors:Grishaev, A, Tugarinov, V, Kay, L.E, Trewhella, J, Bax, A.
Deposit date:2007-06-13
Release date:2007-07-10
Last modified:2023-12-20
Method:SOLUTION NMR
Cite:Refined solution structure of the 82-kDa enzyme malate synthase G from joint NMR and synchrotron SAXS restraints
J.Biomol.Nmr, 40, 2008
5C77
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BU of 5c77 by Molmil
A novel protein arginine methyltransferase
Descriptor: Protein arginine N-methyltransferase SFM1, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Lv, F, Zhang, T, Ding, J.
Deposit date:2015-06-24
Release date:2016-01-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for Sfm1 functioning as a protein arginine methyltransferase.
Cell Discov, 1, 2015
4Q2J
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BU of 4q2j by Molmil
A novel structure-based mechanism for DNA-binding of SATB1
Descriptor: DNA-binding protein SATB1
Authors:Wang, Z, Long, J, Yang, X, Shen, Y.
Deposit date:2014-04-08
Release date:2015-03-11
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.603 Å)
Cite:Crystal structure of the ubiquitin-like domain-CUT repeat-like tandem of special AT-rich sequence binding protein 1 (SATB1) reveals a coordinating DNA-binding mechanism.
J.Biol.Chem., 289, 2014
7LSZ
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BU of 7lsz by Molmil
Hsp90a N-terminal inhibitor
Descriptor: Heat shock protein HSP 90-alpha, {3-[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfanyl]-4-hydroxyphenyl}(1,3-dihydro-2H-isoindol-2-yl)methanone
Authors:Balch, M, Peng, S, Deng, J, Matts, R.
Deposit date:2021-02-18
Release date:2021-03-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Selective Inhibition of the Hsp90 alpha Isoform.
Angew.Chem.Int.Ed.Engl., 60, 2021
5C87
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BU of 5c87 by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with SEED2
Descriptor: NITRATE ION, Peregrin, isoquinolin-1(2H)-one
Authors:Zhu, J, Caflisch, A.
Deposit date:2015-06-25
Release date:2016-05-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare Interactions.
J.Med.Chem., 59, 2016
4Q2V
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BU of 4q2v by Molmil
Crystal Structure of Ricin A chain complexed with Baicalin inhibitor
Descriptor: 5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl beta-D-glucopyranosiduronic acid, Ricin
Authors:Deng, X, Li, X, Dong, J, Chen, Y.
Deposit date:2014-04-10
Release date:2015-04-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.198 Å)
Cite:Baicalin inhibits the lethality of ricin in mice by inducing protein oligomerization.
J.Biol.Chem., 290, 2015
7LUP
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BU of 7lup by Molmil
Human TRiC/CCT complex with reovirus outer capsid protein sigma-3
Descriptor: Outer capsid protein sigma-3, T-complex protein 1 subunit alpha, T-complex protein 1 subunit beta, ...
Authors:Knowlton, J.J, Gestaut, D, Ma, B, Taylor, G, Seven, A.B, Leitner, A, Wilson, G.J, Shanker, S, Yates, N.A, Prasad, B.V.V, Aebersold, R, Chiu, W, Frydman, J, Dermody, T.S.
Deposit date:2021-02-22
Release date:2021-03-03
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (6.2 Å)
Cite:Structural and functional dissection of reovirus capsid folding and assembly by the prefoldin-TRiC/CCT chaperone network.
Proc.Natl.Acad.Sci.USA, 118, 2021
4Q43
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BU of 4q43 by Molmil
Polymerase-damaged DNA complex
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DNA (5'-D(*T*CP*TP*AP*GP*GP*GP*TP*CP*CP*TP*AP*GP*GP*AP*CP*CP*C)-3'), DNA (5'-D(*TP*CP*TP*(RDG)P*GP*GP*GP*TP*CP*CP*TP*AP*GP*GP*AP*CP*CP*C)-3'), ...
Authors:Kottur, J, Sharma, A, Nair, D.T.
Deposit date:2014-04-13
Release date:2015-05-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Unique structural features in DNA polymerase IV enable efficient bypass of the N2 adduct induced by the nitrofurazone antibiotic
Structure, 23, 2015
5CB0
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BU of 5cb0 by Molmil
Crystal structure and functional implications of the tandem-type universal stress protein UspE from Escherichia coli
Descriptor: 3-oxotetradecanoic acid, Universal stress protein E
Authors:Xu, Y, Quan, C.S, Jin, X, Jin, L, Kim, J.S, Guo, J, Fan, S, Ha, N.C.
Deposit date:2015-06-30
Release date:2016-02-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.207 Å)
Cite:Crystal structure and functional implications of the tandem-type universal stress protein UspE from Escherichia coli.
Bmc Struct.Biol., 16, 2016
7LT0
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BU of 7lt0 by Molmil
Hsp90a N-terminal inhibitor
Descriptor: (1,3-dihydro-2H-isoindol-2-yl){3-[(3,4-dimethylphenyl)sulfanyl]-4-hydroxyphenyl}methanone, Heat shock protein HSP 90-alpha
Authors:Balch, M, Peng, S, Deng, J, Matts, R.
Deposit date:2021-02-18
Release date:2021-03-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.697 Å)
Cite:Selective Inhibition of the Hsp90 alpha Isoform.
Angew.Chem.Int.Ed.Engl., 60, 2021
5C7N
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BU of 5c7n by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with Bromosporine
Descriptor: Bromosporine, NITRATE ION, Peregrin
Authors:Zhu, J, Caflisch, A.
Deposit date:2015-06-24
Release date:2015-07-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare Interactions.
J.Med.Chem., 59, 2016
2JDM
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BU of 2jdm by Molmil
Mutant (S22A) of Pseudomonas aeruginosa lectin II (PA-IIL) complexed with methyl-a-L-fucopyranoside
Descriptor: CALCIUM ION, FUCOSE-BINDING LECTIN PA-IIL, SULFATE ION, ...
Authors:Adam, J, Pokorna, M, Sabin, C, Mitchell, E.P, Imberty, A, Wimmerova, M.
Deposit date:2007-01-11
Release date:2007-06-12
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Engineering of Pa-Iil Lectin from Pseudomonas Aeruginosa - Unravelling the Role of the Specificity Loop for Sugar Preference.
Bmc Struct.Biol., 7, 2007
7LUM
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BU of 7lum by Molmil
Human TRiC in ATP/AlFx closed state
Descriptor: T-complex protein 1 subunit alpha, T-complex protein 1 subunit beta, T-complex protein 1 subunit delta, ...
Authors:Knowlton, J.J, Gestaut, D, Ma, B, Taylor, G, Seven, A.B, Leitner, A, Wilson, G.J, Shanker, S, Yates, N.A, Prasad, B.V.V, Aebersold, R, Chiu, W, Frydman, J, Dermody, T.S.
Deposit date:2021-02-22
Release date:2021-03-03
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Structural and functional dissection of reovirus capsid folding and assembly by the prefoldin-TRiC/CCT chaperone network.
Proc.Natl.Acad.Sci.USA, 118, 2021
7LBE
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BU of 7lbe by Molmil
CryoEM structure of the HCMV Trimer gHgLgO in complex with neutralizing fabs 13H11 and MSL-109
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein H, ...
Authors:Kschonsak, M, Rouge, L, Arthur, C.P, Hoangdung, H, Patel, N, Kim, I, Johnson, M, Kraft, E, Rohou, A.L, Gill, A, Martinez-Martin, N, Payandeh, J, Ciferri, C.
Deposit date:2021-01-07
Release date:2021-03-10
Last modified:2021-03-17
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structures of HCMV Trimer reveal the basis for receptor recognition and cell entry.
Cell, 184, 2021
7LMT
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BU of 7lmt by Molmil
Histone-lysine N-methyltransferase NSD2-PWWP1 with compound MRT10241866a
Descriptor: Histone-lysine N-methyltransferase NSD2, UNKNOWN ATOM OR ION, ~{N}-cyclopropyl-3-oxidanylidene-~{N}-(thiophen-2-ylmethyl)-4~{H}-1,4-benzoxazine-7-carboxamide
Authors:Lei, M, Freitas, R.F, Dong, A, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2021-02-05
Release date:2021-03-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Histone-lysine N-methyltransferase NSD2-PWWP1 with compound MRT10241866a
To Be Published
7LFY
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BU of 7lfy by Molmil
Cryo-EM structure of human cGMP-bound open CNGA1 channel in Na+
Descriptor: CYCLIC GUANOSINE MONOPHOSPHATE, SODIUM ION, cGMP-gated cation channel alpha-1
Authors:Xue, J, Han, Y, Jiang, Y.
Deposit date:2021-01-19
Release date:2021-03-10
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural mechanisms of gating and selectivity of human rod CNGA1 channel.
Neuron, 109, 2021
7LWZ
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BU of 7lwz by Molmil
Apo Structure of Vibrio cholerae dGTPase protein VC1979
Descriptor: Deoxyguanosinetriphosphate triphosphohydrolase-like protein 1, NICKEL (II) ION
Authors:Sikkema, A.P, Horng, J, Klemm, B.P, Schaaper, R.M, Hall, T.M.T.
Deposit date:2021-03-02
Release date:2021-03-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Structure of Vibrio cholerae dGTPase protein VC1979
To Be Published
7LBG
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BU of 7lbg by Molmil
CryoEM structure of the HCMV Trimer gHgLgO in complex with human Transforming growth factor beta receptor type 3 and neutralizing fabs 13H11 and MSL-109
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein H, ...
Authors:Kschonsak, M, Rouge, L, Arthur, C.P, Hoangdung, H, Patel, N, Kim, I, Johnson, M, Kraft, E, Rohou, A.L, Gill, A, Martinez-Martin, N, Payandeh, J, Ciferri, C.
Deposit date:2021-01-07
Release date:2021-03-10
Last modified:2021-03-17
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structures of HCMV Trimer reveal the basis for receptor recognition and cell entry.
Cell, 184, 2021
5CD4
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BU of 5cd4 by Molmil
The Type IE CRISPR Cascade complex from E. coli, with two assemblies in the asymmetric unit arranged back-to-back
Descriptor: CRISPR system Cascade subunit CasA, CRISPR system Cascade subunit CasB, CRISPR system Cascade subunit CasC, ...
Authors:Jackson, R.N, Golden, S.M, Carter, J, Wiedenheft, B.
Deposit date:2015-07-03
Release date:2015-08-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Mechanism of CRISPR-RNA guided recognition of DNA targets in Escherichia coli.
Nucleic Acids Res., 43, 2015
7LFT
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BU of 7lft by Molmil
Cryo-EM structure of human Apo CNGA1 channel in K+/Ca2+
Descriptor: 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL, POTASSIUM ION, ...
Authors:Xue, J, Han, Y, Jiang, Y.
Deposit date:2021-01-18
Release date:2021-03-10
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structural mechanisms of gating and selectivity of human rod CNGA1 channel.
Neuron, 109, 2021
7LFX
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BU of 7lfx by Molmil
Cryo-EM structure of human cGMP-bound open CNGA1 channel in Na+/Ca2+
Descriptor: CALCIUM ION, CYCLIC GUANOSINE MONOPHOSPHATE, cGMP-gated cation channel alpha-1
Authors:Xue, J, Han, Y, Jiang, Y.
Deposit date:2021-01-19
Release date:2021-03-10
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural mechanisms of gating and selectivity of human rod CNGA1 channel.
Neuron, 109, 2021
7LBF
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BU of 7lbf by Molmil
CryoEM structure of the HCMV Trimer gHgLgO in complex with human Platelet-derived growth factor receptor alpha and neutralizing fabs 13H11 and MSL-109
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein H, ...
Authors:Kschonsak, M, Rouge, L, Arthur, C.P, Hoangdung, H, Patel, N, Kim, I, Johnson, M, Kraft, E, Rohou, A.L, Gill, A, Martinez-Martin, N, Payandeh, J, Ciferri, C.
Deposit date:2021-01-07
Release date:2021-03-10
Last modified:2021-03-17
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structures of HCMV Trimer reveal the basis for receptor recognition and cell entry.
Cell, 184, 2021

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