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7VKH
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BU of 7vkh by Molmil
Crystal structure of AF9 YEATS domain in complex with hit 2
Descriptor: GLYCEROL, Protein AF-9, ~{N}-(3-azanyl-4-chloranyl-phenyl)-2-methoxy-ethanamide
Authors:Liu, Y, Ruan, K.
Deposit date:2021-09-30
Release date:2022-10-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Fragment-Based Discovery of AF9 YEATS Domain Inhibitors.
Int J Mol Sci, 23, 2022
7YSK
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BU of 7ysk by Molmil
Crystal structure of D-Cysteine desulfhydrase from Pectobacterium atrosepticum
Descriptor: D-Cysteine desulfhydrase
Authors:Zhang, X, Wang, L, Xu, X, Xing, X, Zhou, J.
Deposit date:2022-08-12
Release date:2022-12-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Characterization and structural basis of D-cysteine desulfhydrase from Pectobacterium atrosepticum
Tetrahedron, 2022
7YSL
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BU of 7ysl by Molmil
Crystal structure of D-Cysteine desulfhydrase with a trapped PLP-pyruvate geminal diamine
Descriptor: 1,2-ETHANEDIOL, D-Cysteine desulfhydrase, FORMIC ACID
Authors:Zhang, X, Wang, L, Xu, X, Xing, X, Zhou, J.
Deposit date:2022-08-12
Release date:2022-12-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Characterization and structural basis of D-cysteine desulfhydrase from Pectobacterium atrosepticum
Tetrahedron, 2022
7E8I
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BU of 7e8i by Molmil
Structural insight into BRCA1-BARD1 complex recruitment to damaged chromatin
Descriptor: BRCA1-associated RING domain protein 1, DNA (145-MER), Histone H2A, ...
Authors:Dai, Y, Dai, L, Zhou, Z.
Deposit date:2021-03-01
Release date:2021-06-30
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural insight into BRCA1-BARD1 complex recruitment to damaged chromatin.
Mol.Cell, 81, 2021
7W3X
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BU of 7w3x by Molmil
Cryo-EM structure of plant receptor like protein RXEG1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Membrane-localized LRR receptor-like protein, ...
Authors:Sun, Y, Wang, Y, Zhang, X.X, Chen, Z.D, Xia, Y.Q, Sun, Y.J, Zhang, M.M, Xiao, Y, Han, Z.F, Wang, Y.C, Chai, J.J.
Deposit date:2021-11-26
Release date:2022-06-22
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.21 Å)
Cite:Plant receptor-like protein activation by a microbial glycoside hydrolase.
Nature, 610, 2022
7W3V
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BU of 7w3v by Molmil
Plant receptor like protein RXEG1 in complex with xyloglucanase XEG1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cell 12A endoglucanase, ...
Authors:Sun, Y, Wang, Y, Zhang, X.X, Chen, Z.D, Xia, Y.Q, Sun, Y.J, Zhang, M.M, Xiao, Y, Han, Z.F, Wang, Y.C, Chai, J.J.
Deposit date:2021-11-26
Release date:2022-06-22
Last modified:2022-10-26
Method:ELECTRON MICROSCOPY (3.11 Å)
Cite:Plant receptor-like protein activation by a microbial glycoside hydrolase.
Nature, 610, 2022
7W3T
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BU of 7w3t by Molmil
Cryo-EM structure of plant receptor like kinase NbBAK1 in RXEG1-BAK1-XEG1 complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Brassinosteroid insensitive 1-associated receptor kinase 1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Sun, Y, Wang, Y, Zhang, X.X, Chen, Z.D, Xia, Y.Q, Sun, Y.J, Zhang, M.M, Xiao, Y, Han, Z.F, Wang, Y.C, Chai, J.J.
Deposit date:2021-11-26
Release date:2022-06-22
Last modified:2022-10-26
Method:ELECTRON MICROSCOPY (3.59 Å)
Cite:Plant receptor-like protein activation by a microbial glycoside hydrolase.
Nature, 610, 2022
4KFO
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BU of 4kfo by Molmil
Structure-Based Discovery of Novel Amide-Containing Nicotinamide Phosphoribosyltransferase (Nampt) Inhibitors
Descriptor: 1,2-ETHANEDIOL, N-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}imidazo[1,2-a]pyridine-6-carboxamide, Nicotinamide phosphoribosyltransferase, ...
Authors:Zheng, X, Bauer, P, Baumeister, T, Buckmelter, A.J, Caligiuri, M, Clodfelter, K.H, Han, B, Ho, Y, Kley, N, Lin, J, Reynolds, D.J, Sharma, G, Smith, C.C, Wang, Z, Dragovich, P.S, Gunzner-Tosteb, J, Liederer, B.M, Ly, J, O'Brien, T, Oh, A, Wang, L, Wang, W, Xiao, Y, Zak, M, Zhao, G, Yuen, P, Bair, K.W.
Deposit date:2013-04-27
Release date:2013-05-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-based identification of ureas as novel nicotinamide phosphoribosyltransferase (nampt) inhibitors.
J.Med.Chem., 56, 2013
8I4S
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BU of 8i4s by Molmil
the complex structure of SARS-CoV-2 Mpro with D8
Descriptor: 3-(4-fluoranyl-3-methyl-phenyl)-2-(2-methylpropyl)-5,6,7-tris(oxidanyl)quinazolin-4-one, ORF1a polyprotein
Authors:Lu, M.
Deposit date:2023-01-21
Release date:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of quinazolin-4-one-based non-covalent inhibitors targeting the severe acute respiratory syndrome coronavirus 2 main protease (SARS-CoV-2 M pro ).
Eur.J.Med.Chem., 257, 2023
7VKG
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BU of 7vkg by Molmil
Crystal structure of AF9 YEATS domain in complex with Compound 10
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Protein AF-9, ...
Authors:Liu, Y, Ruan, K.
Deposit date:2021-09-29
Release date:2022-10-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Fragment-Based Discovery of AF9 YEATS Domain Inhibitors.
Int J Mol Sci, 23, 2022
2KNG
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BU of 2kng by Molmil
Solution structure of C-domain of Lsr2
Descriptor: Protein lsr2
Authors:Li, Y, Xia, B.
Deposit date:2009-08-22
Release date:2010-03-16
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Lsr2 is a nucleoid-associated protein that targets AT-rich sequences and virulence genes in Mycobacterium tuberculosis
Proc.Natl.Acad.Sci.USA, 2010
4KFN
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BU of 4kfn by Molmil
Structure-Based Discovery of Novel Amide-Containing Nicotinamide Phosphoribosyltransferase (Nampt) Inhibitors
Descriptor: 1,2-ETHANEDIOL, N-[4-(piperidin-1-ylsulfonyl)benzyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ...
Authors:Zheng, X, Bauer, P, Baumeister, T, Buckmelter, A.J, Caligiuri, M, Clodfelter, K.H, Han, B, Ho, Y, Kley, N, Lin, J, Reynolds, D.J, Sharma, G, Smith, C.C, Wang, Z, Dragovich, P.S, Gunzner-Toste, J, Liederer, B.M, Ly, J, O'Brien, T, Oh, A, Wang, L, Wang, W, Xiao, Y, Zak, M, Zhao, G, Yuen, P, Bair, K.W.
Deposit date:2013-04-27
Release date:2013-05-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-based identification of ureas as novel nicotinamide phosphoribosyltransferase (nampt) inhibitors.
J.Med.Chem., 56, 2013
7F6D
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BU of 7f6d by Molmil
Reconstruction of the HerA-NurA complex from Deinococcus radiodurans
Descriptor: HerA, NurA
Authors:Xu, Y, Xu, L, Guo, J, Hua, Y, Zhao, Y.
Deposit date:2021-06-25
Release date:2022-06-29
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.85 Å)
Cite:Mechanisms of helicase activated DNA end resection in bacteria.
Structure, 30, 2022
3EFW
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BU of 3efw by Molmil
Structure of AuroraA with pyridyl-pyrimidine urea inhibitor
Descriptor: 1-[3-methyl-4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea, SULFATE ION, Serine/threonine-protein kinase 6
Authors:Bellon, S.F, Cee, V, Hughes, P, Geuns-Meyer, S, Whittington, D.
Deposit date:2008-09-10
Release date:2008-12-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Pyridyl-pyrimidine benzimidazole derivatives as potent, selective, and orally bioavailable inhibitors of Tie-2 kinase.
Bioorg.Med.Chem.Lett., 19, 2009
3E73
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BU of 3e73 by Molmil
Crystal Structure of Human LanCL1 complexed with GSH
Descriptor: GLUTATHIONE, LanC-like protein 1, ZINC ION
Authors:Zhang, W, Zhu, G, Li, X, Rao, Z, Zhang, C.
Deposit date:2008-08-17
Release date:2009-06-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of human lanthionine synthetase C-like protein 1 and its interaction with Eps8 and glutathione
Genes Dev., 23, 2009
3E6U
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BU of 3e6u by Molmil
Crystal structure of Human LanCL1
Descriptor: LanC-like protein 1, ZINC ION
Authors:Zhang, W, Zhu, G, Li, X, Rao, Z, Zhang, C.
Deposit date:2008-08-16
Release date:2009-06-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of human lanthionine synthetase C-like protein 1 and its interaction with Eps8 and glutathione
Genes Dev., 23, 2009
5XS2
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BU of 5xs2 by Molmil
CDK8-CYCC IN COMPLEX WITH COMPOUND 17:3-chloro-4-(4-pyridyl)-1H-pyrrole-2-carboxamide
Descriptor: 3-chloranyl-4-pyridin-4-yl-1H-pyrrole-2-carboxamide, Cyclin-C, Cyclin-dependent kinase 8, ...
Authors:Zhou, Z, Xu, Z.
Deposit date:2017-06-12
Release date:2017-08-09
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Discovery of potent and selective CDK8 inhibitors through FBDD approach
Bioorg. Med. Chem. Lett., 27, 2017
5XWW
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BU of 5xww by Molmil
Substrate-bound Structure of G355T/Q364H mutant of a Ketoreductase from amphotericin Polyketide Synthases
Descriptor: AmphB, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, S-[2-[3-[[(2R)-3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]propanoylamino]ethyl] (2R)-2-methyl-3-oxidanylidene-pentanethioate
Authors:Liu, C, Zheng, J.
Deposit date:2017-06-30
Release date:2018-06-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Substrate-bound structures of a ketoreductase from amphotericin modular polyketide synthase.
J. Struct. Biol., 203, 2018
5XQX
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BU of 5xqx by Molmil
Human CDK8-CYCC in complex with compound 4: N-methyl-4-(4-pyridyl)-1H-pyrrole-2-carboxamide
Descriptor: Cyclin-C, Cyclin-dependent kinase 8, GLYCEROL, ...
Authors:Zhou, Z, Xu, Z.H.
Deposit date:2017-06-07
Release date:2017-08-09
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of potent and selective CDK8 inhibitors through FBDD approach
Bioorg. Med. Chem. Lett., 27, 2017
5XWV
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BU of 5xwv by Molmil
Substrate-bound Structure of a Ketoreductase from the Second Module of the amphotericin Polyketide Synthases
Descriptor: AmphB, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, S-[2-[3-[[(2R)-3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]propanoylamino]ethyl] (2R)-2-methyl-3-oxidanylidene-pentanethioate
Authors:Liu, C, Zheng, J.
Deposit date:2017-06-30
Release date:2018-06-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Substrate-bound structures of a ketoreductase from amphotericin modular polyketide synthase.
J. Struct. Biol., 203, 2018
5YAT
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BU of 5yat by Molmil
Crystal structure of mitochondrial alcohol dehydrogenase isozyme III from Komagataella phaffii GS115
Descriptor: GLYCEROL, ISOPROPYL ALCOHOL, Mitochondrial alcohol dehydrogenase isozyme III, ...
Authors:Zhang, H.D, Li, Q.
Deposit date:2017-09-01
Release date:2018-03-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.745 Å)
Cite:Investigation of structure and function of mitochondrial alcohol dehydrogenase isozyme III from Komagataella phaffii GS115.
Biochim. Biophys. Acta, 1862, 2018
4JOD
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BU of 4jod by Molmil
Crystal structure of human lysophosphatidic acid phosphatase type 6 complexed with Tris
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Lysophosphatidic acid phosphatase type 6
Authors:Li, J.
Deposit date:2013-03-18
Release date:2013-07-10
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Crystal structures and biochemical studies of human lysophosphatidic acid phosphatase type 6.
Protein Cell, 4, 2013
3CJW
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BU of 3cjw by Molmil
Crystal structure of the human COUP-TFII ligand binding domain
Descriptor: COUP transcription factor 2
Authors:Kruse, S.W, Reynolds, R, Vonrhein, C, Xu, H.E.
Deposit date:2008-03-14
Release date:2008-10-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Identification of COUP-TFII Orphan Nuclear Receptor as a Retinoic Acid-Activated Receptor.
Plos Biol., 6, 2008
5XYN
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BU of 5xyn by Molmil
The crystal structure of Csm2-Psy3-Shu1-Shu2 complex from budding yeast
Descriptor: Chromosome segregation in meiosis protein 2, Platinum sensitivity protein 3, Suppressor of HU sensitivity involved in recombination protein 1, ...
Authors:Zhang, S, Zhang, T, Ding, J.
Deposit date:2017-07-09
Release date:2017-11-08
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural basis for the functional role of the Shu complex in homologous recombination.
Nucleic Acids Res., 45, 2017
5YDR
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BU of 5ydr by Molmil
Structure of DNMT1 RFTS domain in complex with ubiquitin
Descriptor: DNA (cytosine-5)-methyltransferase 1, PHOSPHATE ION, Polyubiquitin-B, ...
Authors:Qian, C.
Deposit date:2017-09-14
Release date:2018-02-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.003 Å)
Cite:Structural and mechanistic insights into UHRF1-mediated DNMT1 activation in the maintenance DNA methylation.
Nucleic Acids Res., 46, 2018

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