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PDB: 629 results

7DLM
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BU of 7dlm by Molmil
Short chain dehydrogenase (SCR) crystal structure with NADPH
Descriptor: Carbonyl Reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Li, Y.H, Zhang, R.Z, Forouhar, F, Wang, C, Montelione, G.T, Szyperski, T, Xu, Y, Hunt, J.F.
Deposit date:2020-11-28
Release date:2022-04-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Oligomeric interactions maintain active-site structure in a noncooperative enzyme family.
Embo J., 41, 2022
7DN1
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BU of 7dn1 by Molmil
Hetero-oligomers of SCR-SCR2 crystal structure with NADPH
Descriptor: (S)-specific carbonyl reductase, Carbonyl Reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Li, Y.H, Zhang, R.Z, Forouhar, F, Wang, C, Montelione, G.T, Szyperski, T, Xu, Y, Hunt, J.F.
Deposit date:2020-12-08
Release date:2022-04-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Oligomeric interactions maintain active-site structure in a noncooperative enzyme family.
Embo J., 41, 2022
7XH6
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BU of 7xh6 by Molmil
Crystal structure of CBP bromodomain liganded with CCS1477
Descriptor: (6S)-1-[3,4-bis(fluoranyl)phenyl]-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]piperidin-2-one, CREB-binding protein, DIMETHYL SULFOXIDE, ...
Authors:Xu, H, Xiang, Q, Wang, C, Zhang, C, Luo, G, Wu, X, Zhang, Y, Xu, Y.
Deposit date:2022-04-07
Release date:2022-07-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural insights revealed by the cocrystal structure of CCS1477 in complex with CBP bromodomain
Biochem.Biophys.Res.Commun., 623, 2022
7XHE
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BU of 7xhe by Molmil
Crystal structure of CBP bromodomain liganded with CCS151
Descriptor: (6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-1-methylsulfonylpyrrolidin-3-yl]benzimidazol-2-yl]-1-(3-fluoranyl-4-methoxy-phenyl)piperidin-2-one, 1,2-ETHANEDIOL, CREB-binding protein
Authors:Xu, H, Xiang, Q, Wang, C, Zhang, C, Luo, G, Wu, X, Zhang, Y, Xu, Y.
Deposit date:2022-04-08
Release date:2022-07-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Structural insights revealed by the cocrystal structure of CCS1477 in complex with CBP bromodomain
Biochem.Biophys.Res.Commun., 623, 2022
7XI0
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BU of 7xi0 by Molmil
Crystal structure of CBP bromodomain liganded with CCS150
Descriptor: (6S)-1-(3-chloranyl-4-methoxy-phenyl)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-1-methylsulfonylpyrrolidin-3-yl]benzimidazol-2-yl]piperidin-2-one, CREB-binding protein, GLYCEROL
Authors:Xu, H, Xiang, Q, Wang, C, Zhang, C, Luo, G, Wu, X, Zhang, Y, Xu, Y.
Deposit date:2022-04-11
Release date:2022-07-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Structural insights revealed by the cocrystal structure of CCS1477 in complex with CBP bromodomain
Biochem.Biophys.Res.Commun., 623, 2022
7XH3
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BU of 7xh3 by Molmil
Dimeric G-quadruplex DNA Formed in the Proximal Promoter of VEGFR-2
Descriptor: DNA (5'-D(*CP*CP*GP*GP*GP*TP*AP*CP*CP*CP*GP*G)-3')
Authors:Zhang, Y, Lan, W, Wang, C, Cao, C.
Deposit date:2022-04-07
Release date:2023-02-15
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Dimeric G-quadruplex DNA Structure in the Proximal Promoter of VEGFR-2 Reveals a New Drug Target to Inhibit Tumor Angiogenesis.
Chin.J.Chem., 40, 2022
7XFV
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BU of 7xfv by Molmil
Dimeric G-quadruplex DNA Formed in the Proximal Promoter of VEGFR-2
Descriptor: DNA (5'-D(*AP*TP*GP*AP*GP*GP*GP*GP*CP*GP*GP*GP*GP*T)-3')
Authors:Zhang, Y, Lan, W, Wang, C, Cao, C.
Deposit date:2022-04-02
Release date:2023-03-15
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Dimeric G-quadruplex DNA Structure in the Proximal Promoter of VEGFR-2 Reveals a New Drug Target to Inhibit Tumor Angiogenesis.
Chin.J.Chem., 40, 2023
6JHZ
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BU of 6jhz by Molmil
Crystal structure of cas2
Descriptor: 5-mer peptide, CRISPR-associated endoribonuclease Cas2
Authors:Bi, M, Mo, X, Wang, C, Yuan, A.Y.
Deposit date:2019-02-19
Release date:2020-03-25
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.999 Å)
Cite:Structural insight into endonuclease CRISPR-associated Cas2 protein
To be published
6L94
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BU of 6l94 by Molmil
The structure of the dioxygenase ABH1 from mouse
Descriptor: FE (II) ION, Nucleic acid dioxygenase ALKBH1
Authors:Xie, W, Wang, C, Li, H, Zhang, Y.
Deposit date:2019-11-08
Release date:2020-11-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.10012341 Å)
Cite:ALKBH1 promotes lung cancer by regulating m6A RNA demethylation.
Biochem Pharmacol, 189, 2021
7DLD
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BU of 7dld by Molmil
Crystal structures of (S)-carbonyl reductases from Candida parapsilosis in different oligomerization states
Descriptor: Carbonyl Reductase, MAGNESIUM ION
Authors:Li, Y.H, Zhang, R.Z, Forouhar, F, Wang, C, Montelione, G.T, Szyperski, T, Xu, Y, Hunt, J.F.
Deposit date:2020-11-27
Release date:2022-04-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Oligomeric interactions maintain active-site structure in a noncooperative enzyme family.
Embo J., 41, 2022
7XNG
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BU of 7xng by Molmil
Crystal structure of CBP bromodomain liganded with Y08092(31g)
Descriptor: 3-[(1-ethanoylindol-3-yl)carbonylamino]-5-[[(2S)-oxan-2-yl]oxymethyl]benzoic acid, CREB-binding protein, DI(HYDROXYETHYL)ETHER, ...
Authors:Xiang, Q, Zhang, Y, Wang, C, Song, M, Xu, Y.
Deposit date:2022-04-28
Release date:2022-06-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structure of CBP bromodomain liganded with Y08092(31g)
To Be Published
7XM7
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BU of 7xm7 by Molmil
Crystal Structure of the CBP in complex with the Y08188
Descriptor: 1,2-ETHANEDIOL, 3-ethanoyl-~{N}-[2-fluoranyl-3-(1-methylpyrazol-4-yl)phenyl]-7-methoxy-indolizine-1-carboxamide, CREB-binding protein, ...
Authors:Xiang, Q, Zhang, Y, Wang, C, Song, M, Xu, Y.
Deposit date:2022-04-25
Release date:2022-06-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Discovery and optimization of 1-(1H-indol-1-yl)ethanone derivatives as potent and selective CBP bromodomain inhibitors
To Be Published
6MRO
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BU of 6mro by Molmil
Crystal structure of methyl transferase from Methanosarcina acetivorans at 1.6 Angstroms resolution, Northeast Structural Genomics Consortium (NESG) Target MvR53.
Descriptor: CALCIUM ION, CHLORIDE ION, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Singh, S, Forouhar, F, Wang, C, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2018-10-15
Release date:2018-10-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of a methyl transferase from Methanosarcina acetivorans at 1.6 Angstroms resolution.
To Be Published
7CSP
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BU of 7csp by Molmil
Structure of Ephexin4 IDPSH
Descriptor: Rho guanine nucleotide exchange factor 16
Authors:Zhang, M, Lin, L, Wang, C, Zhu, J.
Deposit date:2020-08-15
Release date:2021-02-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Double inhibition and activation mechanisms of Ephexin family RhoGEFs.
Proc.Natl.Acad.Sci.USA, 118, 2021
7DLL
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BU of 7dll by Molmil
Short chain dehydrogenase 2 (SCR2) crystal structure with NADPH
Descriptor: (S)-specific carbonyl reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Li, Y.H, Zhang, R.Z, Forouhar, F, Wang, C, Montelione, G.T, Szyperski, T, Xu, Y, Hunt, J.F.
Deposit date:2020-11-28
Release date:2022-04-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Oligomeric interactions maintain active-site structure in a noncooperative enzyme family.
Embo J., 41, 2022
7DMG
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BU of 7dmg by Molmil
Short chain dehydrogenase 2 (SCR2) crystal structure with NADP
Descriptor: (S)-specific carbonyl reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Li, Y.H, Zhang, R.Z, Forouhar, F, Wang, C, Montelione, G.T, Szyperski, T, Xu, Y, Hunt, J.F.
Deposit date:2020-12-03
Release date:2022-04-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Oligomeric interactions maintain active-site structure in a noncooperative enzyme family.
Embo J., 41, 2022
7EP7
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BU of 7ep7 by Molmil
The complex structure of Gpsm2 and Whirlin
Descriptor: G-protein-signaling modulator 2, Whirlin
Authors:Lin, L, Shi, Y, Wang, C, Zhu, J.
Deposit date:2021-04-26
Release date:2022-05-04
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Promotion of row 1-specific tip complex condensates by Gpsm2-G alpha i provides insights into row identity of the tallest stereocilia.
Sci Adv, 8, 2022
7ERL
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BU of 7erl by Molmil
GH43 domain of bifunctional endoxylanase and arabinofuranosidase of Bi0569
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-xylanase
Authors:Liu, D, Wang, C.
Deposit date:2021-05-06
Release date:2022-05-18
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.89329827 Å)
Cite:Structure of bifunctional endoxylanase and arabinofuranosidaseat GH43 domain of Bi0569 protein
To Be Published
2K7J
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BU of 2k7j by Molmil
Human Acylphosphatase(AcPh) surface charge-optimized
Descriptor: Acylphosphatase-1
Authors:Gribenko, A.V, Patel, M.M, Liu, J, McCallum, S.A, Wang, C, Makhatadze, G.I.
Deposit date:2008-08-12
Release date:2009-02-17
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Rational stabilization of enzymes by computational redesign of surface charge-charge interactions
Proc.Natl.Acad.Sci.USA, 106, 2009
2K7K
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BU of 2k7k by Molmil
Human Acylphosphatase (AcPh) common type
Descriptor: Acylphosphatase-1
Authors:Gribenko, A.V, Patel, M.M, Liu, J, McCallum, S.A, Wang, C, Makhatadze, G.I.
Deposit date:2008-08-13
Release date:2009-02-17
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Rational stabilization of enzymes by computational redesign of surface charge-charge interactions
Proc.Natl.Acad.Sci.USA, 106, 2009
7VYQ
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BU of 7vyq by Molmil
Short chain dehydrogenase (SCR) cryoEM structure with NADP and ethyl 4-chloroacetoacetate
Descriptor: Carbonyl Reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ethyl 4-chloranyl-3-oxidanylidene-butanoate
Authors:Li, Y.H, Zhang, R.Z, Wang, C, Forouhar, F, Clarke, O, Vorobiev, S, Singh, S, Montelione, G.T, Szyperski, T, Xu, Y, Hunt, J.F.
Deposit date:2021-11-15
Release date:2022-04-06
Last modified:2022-09-14
Method:ELECTRON MICROSCOPY (3.13 Å)
Cite:Oligomeric interactions maintain active-site structure in a noncooperative enzyme family.
Embo J., 41, 2022
7XCE
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BU of 7xce by Molmil
Crystal structure of Ankyrin G in complex with neurofascin
Descriptor: GLYCEROL, Neurofascin,Ankyrin-3, SULFATE ION
Authors:He, L, Li, J, Wang, C.
Deposit date:2022-03-24
Release date:2022-09-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of Ankyrin-G in complex with a fragment of Neurofascin reveals binding mechanisms required for integrity of the axon initial segment.
J.Biol.Chem., 298, 2022
6N9N
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BU of 6n9n by Molmil
Crystal structure of murine GSDMD
Descriptor: Gasdermin-D
Authors:Liu, Z, Wang, C, Yang, J, Xiao, T.S.
Deposit date:2018-12-03
Release date:2019-06-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Crystal Structures of the Full-Length Murine and Human Gasdermin D Reveal Mechanisms of Autoinhibition, Lipid Binding, and Oligomerization.
Immunity, 51, 2019
2L8L
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BU of 2l8l by Molmil
Structure of an engineered splicing intein mutant based on Mycobacterium tuberculosis RecA
Descriptor: Endonuclease PI-MtuI
Authors:Du, Z, Wang, C.
Deposit date:2011-01-19
Release date:2012-01-04
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:pK(a) coupling at the intein active site: implications for the coordination mechanism of protein splicing with a conserved aspartate.
J.Am.Chem.Soc., 133, 2011
2MN1
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BU of 2mn1 by Molmil
Solution Structure of kalata B1[W23WW]
Descriptor: kalata B1[W23WW]
Authors:Henriques, S.T, Huang, Y.H, Chaousis, S, Wang, C.K, Craik, D.J.
Deposit date:2014-03-26
Release date:2015-05-27
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Anticancer and toxic properties of cyclotides are dependent on phosphatidylethanolamine phospholipid targeting.
Chembiochem, 15, 2014

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