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3QZT
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Crystal Structure of BPTF bromo in complex with histone H4K16ac - Form II
Descriptor: GLYCEROL, Histone H4, Nucleosome-remodeling factor subunit BPTF
Authors:Li, H, Ruthenburg, A.J, Patel, D.J.
Deposit date:2011-03-07
Release date:2011-06-01
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Recognition of a Mononucleosomal Histone Modification Pattern by BPTF via Multivalent Interactions.
Cell(Cambridge,Mass.), 145, 2011
3W1W
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BU of 3w1w by Molmil
Protein-drug complex
Descriptor: 1,2-ETHANEDIOL, 2-HYDROXYBENZOIC ACID, CHOLIC ACID, ...
Authors:Ishii, R, Gupta, V, Yamaguchi, Y, Handa, H, Nureki, O.
Deposit date:2012-11-21
Release date:2013-10-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.006 Å)
Cite:Salicylic Acid induces mitochondrial injury by inhibiting ferrochelatase heme biosynthesis activity
Mol.Pharmacol., 84, 2013
3S1K
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BU of 3s1k by Molmil
The Development of Peptide-based Tools for the Analysis of Angiogenesis
Descriptor: Vascular endothelial growth factor A, Z-domain
Authors:Murray, J.M, Wiesmann, C.
Deposit date:2011-05-15
Release date:2011-08-17
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:The development of Peptide-based tools for the analysis of angiogenesis.
Chem.Biol., 18, 2011
4HS6
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BU of 4hs6 by Molmil
Hepatitus C envelope glycoprotein E2 fragment 412-423 with humanized and affinity-matured antibody MRCT10.v362
Descriptor: E2-peptide, MRCT10.v362 Fab heavy chain, MRCT10.v362 Fab light chain
Authors:Eigenbrot, C, Ultsch, M.
Deposit date:2012-10-29
Release date:2013-04-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Glycan shifting on hepatitis C virus (HCV) e2 glycoprotein is a mechanism for escape from broadly neutralizing antibodies.
J.Mol.Biol., 425, 2013
4HVC
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BU of 4hvc by Molmil
Crystal structure of human prolyl-tRNA synthetase in complex with halofuginone and ATP analogue
Descriptor: 7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one, Bifunctional glutamate/proline--tRNA ligase, MAGNESIUM ION, ...
Authors:Zhou, H, Sun, L, Yang, X.L, Schimmel, P.
Deposit date:2012-11-06
Release date:2013-01-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:ATP-directed capture of bioactive herbal-based medicine on human tRNA synthetase.
Nature, 494, 2012
4HS8
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BU of 4hs8 by Molmil
Hepatitus C envelope glycoprotein E2 fragment 412-423 with humanized and affinity-matured antibody hu5B3.v3
Descriptor: E2-peptide, GLYCEROL, SULFATE ION, ...
Authors:Eigenbrot, C, Ultsch, M.
Deposit date:2012-10-29
Release date:2013-04-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Glycan shifting on hepatitis C virus (HCV) e2 glycoprotein is a mechanism for escape from broadly neutralizing antibodies.
J.Mol.Biol., 425, 2013
3WSQ
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BU of 3wsq by Molmil
Structure of HER2 with an Fab
Descriptor: Antibody Heavy Chain, Antibody Light Chain, Receptor tyrosine-protein kinase erbB-2
Authors:Fu, W.Y, Wang, Y.X, Zhou, L.J.
Deposit date:2014-03-20
Release date:2015-03-25
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Insights into HER2 signaling from step-by-step optimization of anti-HER2 antibodies.
MAbs, 6, 2014
3W7A
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BU of 3w7a by Molmil
Crystal Structure of azoreductase AzrC fin complex with sulfone-modified azo dye Acid Red 88
Descriptor: 4-[(E)-(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid, CALCIUM ION, FLAVIN MONONUCLEOTIDE, ...
Authors:Yu, J, Ogata, D, Ooi, T, Yao, M.
Deposit date:2013-02-27
Release date:2014-02-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of AzrA and of AzrC complexed with substrate or inhibitor: insight into substrate specificity and catalytic mechanism.
Acta Crystallogr.,Sect.D, 70, 2014
3QZS
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BU of 3qzs by Molmil
Crystal Structure of BPTF bromo in complex with histone H4K16ac - Form I
Descriptor: Histone H4, Nucleosome-remodeling factor subunit BPTF
Authors:Li, H, Ruthenburg, A.J, Patel, D.J.
Deposit date:2011-03-07
Release date:2011-06-01
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Recognition of a Mononucleosomal Histone Modification Pattern by BPTF via Multivalent Interactions.
Cell(Cambridge,Mass.), 145, 2011
3W78
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BU of 3w78 by Molmil
Crystal Structure of azoreductase AzrC in complex with NAD(P)-inhibitor Cibacron Blue
Descriptor: CIBACRON BLUE, FLAVIN MONONUCLEOTIDE, FMN-dependent NADH-azoreductase
Authors:Yu, J, Ogata, D, Ooi, T, Yao, M.
Deposit date:2013-02-27
Release date:2014-02-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Structures of AzrA and of AzrC complexed with substrate or inhibitor: insight into substrate specificity and catalytic mechanism.
Acta Crystallogr.,Sect.D, 70, 2014
3WD5
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BU of 3wd5 by Molmil
Crystal structure of TNFalpha in complex with Adalimumab Fab fragment
Descriptor: Adalimumab Heavy Chain, Adalimumab Light Chain, Tumor necrosis factor
Authors:Hu, S, Liang, S.Y, Guo, Y.J, Lou, Z.Y.
Deposit date:2013-06-06
Release date:2013-08-14
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.101 Å)
Cite:Comparison of the inhibition mechanisms of adalimumab and infliximab in treating tumor necrosis factor alpha-associated diseases from a molecular view
J.Biol.Chem., 288, 2013
3QZV
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BU of 3qzv by Molmil
Crystal Structure of BPTF PHD-linker-bromo in complex with histone H4K12ac peptide
Descriptor: Histone H4, Nucleosome-remodeling factor subunit BPTF, ZINC ION
Authors:Li, H, Ruthenburg, A.J, Patel, D.J.
Deposit date:2011-03-07
Release date:2011-06-01
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.999 Å)
Cite:Recognition of a Mononucleosomal Histone Modification Pattern by BPTF via Multivalent Interactions.
Cell(Cambridge,Mass.), 145, 2011
3RO5
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BU of 3ro5 by Molmil
Crystal structure of influenza A virus nucleoprotein with ligand
Descriptor: Nucleocapsid protein, [4-(2-chloro-4-nitrophenyl)piperazin-1-yl][3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanone
Authors:Pearce, B.C, Edavettal, S, McDonnell, P.A, Lewis, H.A, Steinbacher, S, Baldwin, E.T, Langley, D.R, Maskos, K, Mortl, M, Kiefersauer, R.
Deposit date:2011-04-25
Release date:2011-09-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Inhibition of influenza virus replication via small molecules that induce the formation of higher-order nucleoprotein oligomers.
Proc.Natl.Acad.Sci.USA, 108, 2011
3ZVQ
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BU of 3zvq by Molmil
Crystal Structure of proteolyzed lysozyme
Descriptor: LYSOZYME C
Authors:Kishan, K.V, Sharma, A.
Deposit date:2011-07-26
Release date:2011-10-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Salt-assisted religation of proteolyzed Glutathione-S-transferase follows Hofmeister series.
Protein Pept.Lett., 17, 2010
4H8R
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BU of 4h8r by Molmil
Imipenem complex of GES-5 carbapenemase
Descriptor: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid, Extended-spectrum beta-lactamase GES-5, IODIDE ION, ...
Authors:Smith, C.A, Vakulenko, S.B.
Deposit date:2012-09-23
Release date:2013-07-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structural basis for progression toward the carbapenemase activity in the GES family of beta-lactamases.
J.Am.Chem.Soc., 134, 2012
4IPF
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BU of 4ipf by Molmil
The 1.7A crystal structure of humanized Xenopus MDM2 with RO5045337
Descriptor: E3 ubiquitin-protein ligase Mdm2, SULFATE ION, [(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-4,5-dihydro-1H-imidazol-1-yl]{4-[3-(methylsulfonyl)propyl]piperazin-1-yl}methanone
Authors:Graves, B.J, Lukacs, C, Kammlott, R.U, Crowther, R.
Deposit date:2013-01-09
Release date:2013-02-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:MDM2 Small-Molecule Antagonist RG7112 Activates p53 Signaling and Regresses Human Tumors in Preclinical Cancer Models.
Cancer Res., 73, 2013
4IQL
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BU of 4iql by Molmil
Crystal Structure of Porphyromonas gingivalis Enoyl-ACP Reductase II (FabK) with cofactors NADPH and FMN
Descriptor: Enoyl-(Acyl-carrier-protein) reductase II, FLAVIN MONONUCLEOTIDE, GLYCEROL, ...
Authors:Hevener, K.E, Santarsiero, B.D, Su, P.-C, Boci, T, Truong, K, Johnson, M.E, Mehboob, S.
Deposit date:2013-01-11
Release date:2014-01-29
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.938 Å)
Cite:Structural characterization of Porphyromonas gingivalis enoyl-ACP reductase II (FabK).
Acta Crystallogr F Struct Biol Commun, 74, 2018
3V5W
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BU of 3v5w by Molmil
Human G Protein-Coupled Receptor Kinase 2 in Complex with Soluble Gbetagamma Subunits and Paroxetine
Descriptor: G-protein coupled receptor kinase 2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Thal, D.M, Tesmer, J.J.G.
Deposit date:2011-12-17
Release date:2012-09-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Paroxetine is a direct inhibitor of g protein-coupled receptor kinase 2 and increases myocardial contractility.
Acs Chem.Biol., 7, 2012
4GOG
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BU of 4gog by Molmil
Crystal structure of the GES-1 imipenem acyl-enzyme complex
Descriptor: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase GES-1, IODIDE ION, ...
Authors:Smith, C.A, Vakulenko, S.B, Munoz, J.
Deposit date:2012-08-20
Release date:2013-07-24
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Structural basis for progression toward the carbapenemase activity in the GES family of beta-lactamases.
J.Am.Chem.Soc., 134, 2012
6D4I
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BU of 6d4i by Molmil
Crystal Structure of a Fc Fragment of Rhesus macaque (Macaca mulatta) IgG2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Fc fragment of IgG2
Authors:Gohain, N, Tolbert, W.D, Pazgier, M.
Deposit date:2018-04-18
Release date:2019-05-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:From Rhesus macaque to human: structural evolutionary pathways for immunoglobulin G subclasses.
Mabs, 11, 2019
4A8A
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BU of 4a8a by Molmil
Asymmetric cryo-EM reconstruction of E. coli DegQ 12-mer in complex with lysozyme
Descriptor: LYSOZYME C, PERIPLASMIC PH-DEPENDENT SERINE ENDOPROTEASE DEGQ
Authors:Malet, H, Canellas, F, Sawa, J, Yan, J, Thalassinos, K, Ehrmann, M, Clausen, T, Saibil, H.R.
Deposit date:2011-11-20
Release date:2011-12-28
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (14.2 Å)
Cite:Newly Folded Substrates Inside the Molecular Cage of the Htra Chaperone Degq
Nat.Struct.Mol.Biol., 19, 2012
3QG6
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BU of 3qg6 by Molmil
Structural Basis for Ligand Recognition and Discrimination of a Quorum Quenching Antibody
Descriptor: AP4-24H11 Heavy Chain, AP4-24H11 Light Chain, Agr autoinducing peptide, ...
Authors:Kirchdoerfer, R.N, Janda, J.D, Kaufmann, G.F, Wilson, I.A.
Deposit date:2011-01-24
Release date:2011-03-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Basis for Ligand Recognition and Discrimination of a Quorum-quenching Antibody.
J.Biol.Chem., 286, 2011
3QUG
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BU of 3qug by Molmil
Structure of heme transport protein IsdH-NEAT3 from S. aureus in complex with Gallium-porphyrin
Descriptor: GLYCEROL, Iron-regulated surface determinant protein H, PROTOPORPHYRIN IX CONTAINING GA, ...
Authors:Moriwaki, Y, Caaveiro, J.M.M, Tsumoto, K.
Deposit date:2011-02-24
Release date:2011-03-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Molecular basis of recognition of antibacterial porphyrins by heme-transporter IsdH-NEAT3 of Staphylococcus aureus.
Biochemistry, 50, 2011
3QUH
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BU of 3quh by Molmil
Structure of heme transport protein IsdH-NEAT3 from S. aureus in complex with Manganese(III)-porphyrin
Descriptor: GLYCEROL, Iron-regulated surface determinant protein H, PROTOPORPHYRIN IX CONTAINING MN
Authors:Moriwaki, Y, Caaveiro, J.M.M, Tsumoto, K.
Deposit date:2011-02-24
Release date:2011-03-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Molecular basis of recognition of antibacterial porphyrins by heme-transporter IsdH-NEAT3 of Staphylococcus aureus.
Biochemistry, 50, 2011
3UV2
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BU of 3uv2 by Molmil
Crystal structure of the bromodomain of human nucleosome-remodeling factor subunit BPTF
Descriptor: 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, bromodomain of human nucleosome-remodeling factor subunit BPTF
Authors:Filippakopoulos, P, Picaud, S, Keates, T, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2011-11-29
Release date:2012-01-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012

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数据于2024-10-16公开中

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