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6HU2
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BU of 6hu2 by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 11
Descriptor: 4-methyl-~{N}-oxidanyl-3-[(phenylmethyl)amino]benzamide, DIMETHYLFORMAMIDE, GLYCEROL, ...
Authors:Shaik, T.B, Marek, M, Romier, C.
Deposit date:2018-10-05
Release date:2018-10-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.986 Å)
Cite:Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
6HT8
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BU of 6ht8 by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 3
Descriptor: 3-benzamido-4-methoxy-~{N}-oxidanyl-benzamide, DIMETHYLFORMAMIDE, GLYCEROL, ...
Authors:Marek, M, Shaik, T.B, Romier, C.
Deposit date:2018-10-03
Release date:2018-10-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.497 Å)
Cite:Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
3ESW
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BU of 3esw by Molmil
Complex of yeast PNGase with GlcNAc2-IAc.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Peptide-N(4)-(N-acetyl-beta-glucosaminyl)asparagine amidase, UV excision repair protein RAD23, ...
Authors:Zhao, G, Zhou, X, Lennarz, W.J, Schindelin, H.
Deposit date:2008-10-06
Release date:2008-11-11
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structural and mutational studies on the importance of oligosaccharide binding for the activity of yeast PNGase.
Glycobiology, 19, 2009
1TLJ
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BU of 1tlj by Molmil
Crystal Structure of Conserved Protein of Unknown Function SSO0622 from Sulfolobus solfataricus
Descriptor: Hypothetical UPF0130 protein SSO0622, SULFATE ION
Authors:Jia, Z, Wong, A.H.Y, Kudrytska, M, Skarina, T, Walker, J, Savchenko, A, Edwards, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2004-06-09
Release date:2004-08-03
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural and functional characterization of the TYW3/Taw3 class of SAM-dependent methyltransferases.
Rna, 23, 2017
6LVK
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BU of 6lvk by Molmil
Crystal structure of FGFR2 in complex with 1,3,5-triazine derivative
Descriptor: Fibroblast growth factor receptor 2, N-ethyl-2-[[4-[[4-(4-methylpiperazin-1-yl)-3-(2-morpholin-4-ylethoxy)phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulfonamide, SULFATE ION
Authors:Echizen, Y, Amano, Y, Tateishi, Y.
Deposit date:2020-02-04
Release date:2020-04-08
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Structure-based drug design of 1,3,5-triazine and pyrimidine derivatives as novel FGFR3 inhibitors with high selectivity over VEGFR2.
Bioorg.Med.Chem., 28, 2020
6N30
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BU of 6n30 by Molmil
Bacillus PS3 ATP synthase class 3
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ...
Authors:Guo, H, Rubinstein, J.L.
Deposit date:2018-11-14
Release date:2019-02-20
Last modified:2024-12-25
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structure of a bacterial ATP synthase.
Elife, 8, 2019
8JF5
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BU of 8jf5 by Molmil
Crystal structure of Lysine Specific Demethylase 1 (LSD1) with TAS1440
Descriptor: 4-[5-[(3~{R})-3-azanylpyrrolidin-1-yl]carbonyl-2-[2-fluoranyl-4-(2-methyl-2-oxidanyl-propyl)phenyl]phenyl]-2-fluoranyl-benzenecarbonitrile, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Fukushima, H, Machida, T, Yamashita, S, Suzuki, T.
Deposit date:2023-05-17
Release date:2024-05-22
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:TAS1440, a histone H3 competitive LSD1 inhibitor, activates both TGF-beta and notch signaling pathways via INSM1 dissociation in neuroendocrine small cell lung cancer
To Be Published
6N2D
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BU of 6n2d by Molmil
Bacillus PS3 ATP synthase membrane region
Descriptor: ATP synthase subunit a, ATP synthase subunit b, ATP synthase subunit c
Authors:Guo, H, Rubinstein, J.L.
Deposit date:2018-11-12
Release date:2019-02-20
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure of a bacterial ATP synthase.
Elife, 8, 2019
6N2Z
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BU of 6n2z by Molmil
Bacillus PS3 ATP synthase class 2
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ...
Authors:Guo, H, Rubinstein, J.L.
Deposit date:2018-11-14
Release date:2019-02-20
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structure of a bacterial ATP synthase.
Elife, 8, 2019
6N2Y
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BU of 6n2y by Molmil
Bacillus PS3 ATP synthase class 1
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ...
Authors:Guo, H, Rubinstein, J.L.
Deposit date:2018-11-14
Release date:2019-02-20
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structure of a bacterial ATP synthase.
Elife, 8, 2019
6LVM
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BU of 6lvm by Molmil
Crystal structure of FGFR3 in complex with pyrimidine derivative
Descriptor: 2-[[5-[2-(3,5-dimethoxyphenyl)ethyl]-2-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]pyrimidin-4-yl]amino]-N-ethyl-benzenesulfonamide, Fibroblast growth factor receptor 3
Authors:Echizen, Y, Tateishi, Y, Amano, Y.
Deposit date:2020-02-04
Release date:2020-04-08
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Structure-based drug design of 1,3,5-triazine and pyrimidine derivatives as novel FGFR3 inhibitors with high selectivity over VEGFR2.
Bioorg.Med.Chem., 28, 2020
8ZUH
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BU of 8zuh by Molmil
Crystal structure of bovine Fbs2/Skp1/Man3GlcNAc2 complex
Descriptor: F-box only protein 6, S-phase kinase-associated protein 1, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Satoh, T, Mizushima, T, Yagi, H, Kato, R, Kato, K.
Deposit date:2024-06-09
Release date:2024-09-04
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis of sugar recognition by SCF FBS2 ubiquitin ligase involved in NGLY1 deficiency.
Febs Lett., 598, 2024
6C9N
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BU of 6c9n by Molmil
Mycobacterium tuberculosis adenosine kinase bound to sangivamycin
Descriptor: Adenosine kinase, GLYCEROL, SANGIVAMYCIN, ...
Authors:Crespo, R.A, TB Structural Genomics Consortium (TBSGC)
Deposit date:2018-01-28
Release date:2019-05-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-Guided Drug Design of 6-Substituted Adenosine Analogues as Potent Inhibitors of Mycobacterium tuberculosis Adenosine Kinase.
J.Med.Chem., 62, 2019
6C9S
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BU of 6c9s by Molmil
Mycobacterium tuberculosis adenosine kinase bound to (2R,3R,4S,5R)-2-(6-([1,1'-biphenyl]-4-ylethynyl)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Descriptor: 6-[([1,1'-biphenyl]-4-yl)ethynyl]-9-beta-D-ribofuranosyl-9H-purine, Adenosine kinase, SODIUM ION, ...
Authors:Crespo, R.A, TB Structural Genomics Consortium (TBSGC)
Deposit date:2018-01-28
Release date:2019-05-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Structure-Guided Drug Design of 6-Substituted Adenosine Analogues as Potent Inhibitors of Mycobacterium tuberculosis Adenosine Kinase.
J.Med.Chem., 62, 2019
6C9R
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BU of 6c9r by Molmil
Mycobacterium tuberculosis adenosine kinase bound to (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(thiophen-3-yl)-9H-purin-9-yl)tetrahydrofuran-3,4-diol
Descriptor: 9-beta-D-ribofuranosyl-6-(thiophen-3-yl)-9H-purine, Adenosine kinase, GLYCEROL, ...
Authors:Crespo, R.A, TB Structural Genomics Consortium (TBSGC)
Deposit date:2018-01-28
Release date:2019-05-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-Guided Drug Design of 6-Substituted Adenosine Analogues as Potent Inhibitors of Mycobacterium tuberculosis Adenosine Kinase.
J.Med.Chem., 62, 2019
6C9Q
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BU of 6c9q by Molmil
Mycobacterium tuberculosis adenosine kinase bound to 5'-aminoadenosine
Descriptor: 5'-amino-5'-deoxyadenosine, Adenosine kinase
Authors:Crespo, R.A, TB Structural Genomics Consortium (TBSGC)
Deposit date:2018-01-28
Release date:2019-05-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-Guided Drug Design of 6-Substituted Adenosine Analogues as Potent Inhibitors of Mycobacterium tuberculosis Adenosine Kinase.
J.Med.Chem., 62, 2019
6C9P
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BU of 6c9p by Molmil
Mycobacterium tuberculosis adenosine kinase bound to 6-methylmercaptopurine riboside
Descriptor: 2-HYDROXYMETHYL-5-(6-METHYLSULFANYL-PURIN-9-YL)-TETRAHYDRO-FURAN-3,4-DIOL, Adenosine kinase, GLYCEROL, ...
Authors:Crespo, R.A, TB Structural Genomics Consortium (TBSGC)
Deposit date:2018-01-28
Release date:2019-05-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-Guided Drug Design of 6-Substituted Adenosine Analogues as Potent Inhibitors of Mycobacterium tuberculosis Adenosine Kinase.
J.Med.Chem., 62, 2019
6C67
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BU of 6c67 by Molmil
Mycobacterium tuberculosis adenosine kinase bound to iodotubercidin
Descriptor: (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, Adenosine kinase, GLYCEROL, ...
Authors:Crespo, R.A, TB Structural Genomics Consortium (TBSGC)
Deposit date:2018-01-17
Release date:2019-05-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Structure-Guided Drug Design of 6-Substituted Adenosine Analogues as Potent Inhibitors of Mycobacterium tuberculosis Adenosine Kinase.
J.Med.Chem., 62, 2019
5WXJ
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BU of 5wxj by Molmil
Apo EarP
Descriptor: BETA-MERCAPTOETHANOL, EarP, GLYCEROL, ...
Authors:Sengoku, T, Yokoyama, S, Yanagisawa, T.
Deposit date:2017-01-07
Release date:2018-02-28
Last modified:2025-04-09
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural basis of protein arginine rhamnosylation by glycosyltransferase EarP
Nat. Chem. Biol., 14, 2018
5WXK
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BU of 5wxk by Molmil
EarP bound with domain I of EF-P
Descriptor: BETA-MERCAPTOETHANOL, EarP, Elongation factor P, ...
Authors:Sengoku, T, Yokoyama, S, Yanagisawa, T.
Deposit date:2017-01-07
Release date:2018-02-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Structural basis of protein arginine rhamnosylation by glycosyltransferase EarP
Nat. Chem. Biol., 14, 2018
5WXI
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BU of 5wxi by Molmil
EarP bound with dTDP-rhamnose (soaked)
Descriptor: 2'-DEOXY-THYMIDINE-BETA-L-RHAMNOSE, BETA-MERCAPTOETHANOL, EarP, ...
Authors:Sengoku, T, Yokoyama, S, Yanagisawa, T.
Deposit date:2017-01-07
Release date:2018-02-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis of protein arginine rhamnosylation by glycosyltransferase EarP
Nat. Chem. Biol., 14, 2018
8JJE
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BU of 8jje by Molmil
RBD of SARS-CoV2 spike protein with ACE2 decoy
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
Authors:Kishikawa, J, Hirose, M, Kato, T, Okamoto, T.
Deposit date:2023-05-30
Release date:2023-12-27
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:An inhaled ACE2 decoy confers protection against SARS-CoV-2 infection in preclinical models.
Sci Transl Med, 15, 2023
5XVR
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BU of 5xvr by Molmil
EarP bound with dTDP-rhamnose (co-crystal)
Descriptor: 2'-DEOXY-THYMIDINE-BETA-L-RHAMNOSE, EarP, SULFATE ION
Authors:Sengoku, T, Yokoyama, S, Yanagisawa, T.
Deposit date:2017-06-28
Release date:2018-02-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Structural basis of protein arginine rhamnosylation by glycosyltransferase EarP
Nat. Chem. Biol., 14, 2018
2ELL
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BU of 2ell by Molmil
Solution structure of the Leucine Rich Repeat of human Acidic leucine-rich nuclear phosphoprotein 32 family member B
Descriptor: Acidic leucine-rich nuclear phosphoprotein 32 family member B
Authors:Tochio, N, Koshiba, S, Watanabe, S, Harada, T, Umehara, T, Tanaka, A, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-03-27
Release date:2008-04-01
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution structure of histone chaperone ANP32B: interaction with core histones H3-H4 through its acidic concave domain.
J.Mol.Biol., 401, 2010
5XI8
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BU of 5xi8 by Molmil
Structure and function of the TPR domain
Descriptor: Beta-barrel assembly-enhancing protease
Authors:Tanaka, Y, Tsukazaki, T.
Deposit date:2017-04-26
Release date:2017-10-18
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The TPR domain of BepA is required for productive interaction with substrate proteins and the beta-barrel assembly machinery complex.
Mol. Microbiol., 106, 2017

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