6U6X
 
 | | Human SAMHD1 bound to deoxyribo(C*G*C*C*T)-oligonucleotide | | Descriptor: | DNA SC-GS-SC-SC-DT, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ZINC ION | | Authors: | Taylor, A.B, Bhattacharya, A, Wang, Z, Ivanov, D.N. | | Deposit date: | 2019-08-30 | | Release date: | 2020-09-02 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Nucleic acid binding by SAMHD1 contributes to the antiretroviral activity and is enhanced by the GpsN modification.
Nat Commun, 12, 2021
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6U6Y
 | | Human SAMHD1 bound to ribo(CGCCU)-oligonucleotide | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, RNA CGCCU, ... | | Authors: | Taylor, A.B, Bhattacharya, A, Wang, Z, Ivanov, D.N. | | Deposit date: | 2019-08-30 | | Release date: | 2020-09-02 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Nucleic acid binding by SAMHD1 contributes to the antiretroviral activity and is enhanced by the GpsN modification.
Nat Commun, 12, 2021
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1CVK
 | | T4 LYSOZYME MUTANT L118A | | Descriptor: | 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME | | Authors: | Gassner, N.C, Baase, W.A, Lindstrom, J, Lu, J, Matthews, B.W. | | Deposit date: | 1999-08-23 | | Release date: | 1999-11-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Methionine and alanine substitutions show that the formation of wild-type-like structure in the carboxy-terminal domain of T4 lysozyme is a rate-limiting step in folding.
Biochemistry, 38, 1999
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6W4K
 | | Crystal structure of Lysine Specific Demethylase 1 (LSD1) with CC-90011 | | Descriptor: | 4-[2-(4-aminopiperidin-1-yl)-5-(3-fluoro-4-methoxyphenyl)-1-methyl-6-oxo-1,6-dihydropyrimidin-4-yl]-2-fluorobenzonitrile, FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, ... | | Authors: | Hosfield, D.J. | | Deposit date: | 2020-03-11 | | Release date: | 2020-10-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.93 Å) | | Cite: | Discovery of CC-90011: A Potent and Selective Reversible Inhibitor of Lysine Specific Demethylase 1 (LSD1).
J.Med.Chem., 63, 2020
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5VGO
 | | Bruton's tyrosine kinase (BTK) with compound G-744 | | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, 2-[2-(hydroxymethyl)-3-{1-methyl-6-oxo-5-[(pyrimidin-4-yl)amino]-1,6-dihydropyridin-3-yl}phenyl]-6,6-dimethyl-3,4,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-c]pyridin-1(5H)-one, GLYCEROL, ... | | Authors: | Yu, C, Eigenbrot, C. | | Deposit date: | 2017-04-11 | | Release date: | 2017-07-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.621 Å) | | Cite: | Discovery of Potent and Selective Tricyclic Inhibitors of Bruton's Tyrosine Kinase with Improved Druglike Properties.
ACS Med Chem Lett, 8, 2017
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4GMB
 | | Crystal structure of human WD repeat domain 5 with compound MM-402 | | Descriptor: | MM-402, WD repeat-containing protein 5 | | Authors: | Karatas, H, Townsend, E.C, Chen, Y, Bernard, D, Cao, F, Liu, L, Lei, M, Dou, Y, Wang, S. | | Deposit date: | 2012-08-15 | | Release date: | 2014-02-19 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.781 Å) | | Cite: | Discovery of a Highly Potent, Cell-Permeable Macrocyclic Peptidomimetic (MM-589) Targeting the WD Repeat Domain 5 Protein (WDR5)-Mixed Lineage Leukemia (MLL) Protein-Protein Interaction.
J.Med.Chem., 60, 2017
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6PLG
 | | Crystal structure of human PHGDH complexed with Compound 15 | | Descriptor: | (2S)-(4-{3-[(4,5-dichloro-1-methyl-1H-indole-2-carbonyl)amino]oxetan-3-yl}phenyl)(pyridin-3-yl)acetic acid, D-3-phosphoglycerate dehydrogenase, D-MALATE | | Authors: | Olland, A, Lakshminarasimhan, D, White, A, Suto, R.K. | | Deposit date: | 2019-06-30 | | Release date: | 2019-07-24 | | Last modified: | 2019-09-04 | | Method: | X-RAY DIFFRACTION (2.93 Å) | | Cite: | Inhibition of 3-phosphoglycerate dehydrogenase (PHGDH) by indole amides abrogates de novo serine synthesis in cancer cells.
Bioorg.Med.Chem.Lett., 29, 2019
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6PLF
 | | Crystal structure of human PHGDH complexed with Compound 1 | | Descriptor: | 1,2-ETHANEDIOL, 4-{(1S)-1-[(5-chloro-6-{[(5S)-2-oxo-1,3-oxazolidin-5-yl]methoxy}-1H-indole-2-carbonyl)amino]-2-hydroxyethyl}benzoic acid, D-3-phosphoglycerate dehydrogenase | | Authors: | Olland, A, Lakshminarasimhan, D, White, A, Suto, R.K. | | Deposit date: | 2019-06-30 | | Release date: | 2019-07-24 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Inhibition of 3-phosphoglycerate dehydrogenase (PHGDH) by indole amides abrogates de novo serine synthesis in cancer cells.
Bioorg.Med.Chem.Lett., 29, 2019
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6JIS
 | | Crystal structure of the histidine racemase CntK in cobalt and nickel transporter system of staphylococcus aureus | | Descriptor: | 1,2-ETHANEDIOL, CESIUM ION, CHLORIDE ION, ... | | Authors: | Luo, S, Ju, Y, Zhou, H. | | Deposit date: | 2019-02-23 | | Release date: | 2019-10-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Crystal structure of CntK, the cofactor-independent histidine racemase in staphylopine-mediated metal acquisition of Staphylococcus aureus.
Int.J.Biol.Macromol., 135, 2019
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6JIW
 | | Crystal structure of S. aureus CntK with C72S mutation | | Descriptor: | 1,2-ETHANEDIOL, Diaminopimelate epimerase, SULFATE ION | | Authors: | Luo, S, Ju, Y, Zhou, H. | | Deposit date: | 2019-02-23 | | Release date: | 2019-10-16 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Crystal structure of CntK, the cofactor-independent histidine racemase in staphylopine-mediated metal acquisition of Staphylococcus aureus.
Int.J.Biol.Macromol., 135, 2019
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6K9H
 | | Human LXR-beta in complex with an agonist | | Descriptor: | Oxysterols receptor LXR-beta, ~{tert}-butyl (2'~{S},3~{S})-2-oxidanylidene-2'-phenyl-spiro[1~{H}-indole-3,3'-pyrrolidine]-1'-carboxylate | | Authors: | Zhang, Z, Zhou, H. | | Deposit date: | 2019-06-15 | | Release date: | 2020-04-22 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery of new LXR beta agonists as glioblastoma inhibitors.
Eur.J.Med.Chem., 194, 2020
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7KEF
 | | RNA polymerase II elongation complex with unnatural base dTPT3, rNaM in swing state | | Descriptor: | (1S)-1,4-anhydro-1-(3-methoxynaphthalen-2-yl)-5-O-phosphono-D-ribitol, DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, ... | | Authors: | Oh, J, Wang, D. | | Deposit date: | 2020-10-10 | | Release date: | 2021-06-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.89 Å) | | Cite: | Transcriptional processing of an unnatural base pair by eukaryotic RNA polymerase II.
Nat.Chem.Biol., 17, 2021
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7KED
 | | RNA polymerase II elongation complex with unnatural base dTPT3 | | Descriptor: | DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ... | | Authors: | Oh, J, Wang, W, Wang, D. | | Deposit date: | 2020-10-10 | | Release date: | 2021-06-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Transcriptional processing of an unnatural base pair by eukaryotic RNA polymerase II.
Nat.Chem.Biol., 17, 2021
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7KEE
 | | RNA polymerase II elongation complex with unnatural base dTPT3, rNaMTP bound to E-site | | Descriptor: | (1S)-1,4-anhydro-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-1-(3-methoxynaphthalen-2-yl)-D-ribitol, DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, ... | | Authors: | Oh, J, Wang, D. | | Deposit date: | 2020-10-10 | | Release date: | 2021-06-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.45 Å) | | Cite: | Transcriptional processing of an unnatural base pair by eukaryotic RNA polymerase II.
Nat.Chem.Biol., 17, 2021
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4ZJB
 | | Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase(FabZ) in complex with holo-ACP from Helicobacter pylori | | Descriptor: | 3-hydroxyacyl-[acyl-carrier-protein] dehydratase FabZ, 4'-PHOSPHOPANTETHEINE, Acyl carrier protein, ... | | Authors: | Zhang, L, Zhang, L, Shen, X, Jiang, H. | | Deposit date: | 2015-04-29 | | Release date: | 2016-11-02 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Crystal structure of FabZ-ACP complex reveals a dynamic seesaw-like catalytic mechanism of dehydratase in fatty acid biosynthesis.
Cell Res., 26, 2016
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7DQA
 | | Cryo-EM structure of SARS-CoV2 RBD-ACE2 complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, CHLORIDE ION, ... | | Authors: | Wang, J, Lan, J, Wang, X.Q, Wang, H.W. | | Deposit date: | 2020-12-22 | | Release date: | 2021-12-29 | | Last modified: | 2022-07-13 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Reduced graphene oxide membrane as supporting film for high-resolution cryo-EM
Biophys Rep, 7, 2022
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4ZS3
 | | Structural complex of 5-aminofluorescein bound to the FTO protein | | Descriptor: | 2-OXOGLUTARIC ACID, 5-amino-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid, Alpha-ketoglutarate-dependent dioxygenase FTO, ... | | Authors: | Wang, T, Hong, T, Huang, Y, Yang, C.G, Zhou, X. | | Deposit date: | 2015-05-13 | | Release date: | 2015-11-04 | | Last modified: | 2015-11-18 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Fluorescein Derivatives as Bifunctional Molecules for the Simultaneous Inhibiting and Labeling of FTO Protein
J.Am.Chem.Soc., 137, 2015
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4ZS2
 | | Structural complex of FTO/fluorescein | | Descriptor: | 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)-BENZOIC ACID, 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent dioxygenase FTO, ... | | Authors: | Wang, T, Hong, T, Huang, Y, Yang, C.G, Zhou, X. | | Deposit date: | 2015-05-13 | | Release date: | 2015-11-04 | | Last modified: | 2015-11-18 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Fluorescein Derivatives as Bifunctional Molecules for the Simultaneous Inhibiting and Labeling of FTO Protein
J.Am.Chem.Soc., 137, 2015
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4OTF
 | | Crystal structure of the kinase domain of Bruton's Tyrosine kinase with GDC0834 | | Descriptor: | N-{3-[6-({4-[(2R)-1,4-dimethyl-3-oxopiperazin-2-yl]phenyl}amino)-4-methyl-5-oxo-4,5-dihydropyrazin-2-yl]-2-methylphenyl }-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide, SULFATE ION, Tyrosine-protein kinase BTK | | Authors: | Hymowitz, S.G, Maurer, B. | | Deposit date: | 2014-02-13 | | Release date: | 2015-01-28 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Potent and selective Bruton's tyrosine kinase inhibitors: Discovery of GDC-0834.
Bioorg.Med.Chem.Lett., 25, 2015
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5VFC
 | | WDR5 bound to inhibitor MM-589 | | Descriptor: | 1,2-ETHANEDIOL, N-{(3R,6S,9S,12R)-6-ethyl-12-methyl-9-[3-(N'-methylcarbamimidamido)propyl]-2,5,8,11-tetraoxo-3-phenyl-1,4,7,10-tetraazacyclotetradecan-12-yl}-2-methylpropanamide, SULFATE ION, ... | | Authors: | Stuckey, J.A. | | Deposit date: | 2017-04-07 | | Release date: | 2017-06-28 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Discovery of a Highly Potent, Cell-Permeable Macrocyclic Peptidomimetic (MM-589) Targeting the WD Repeat Domain 5 Protein (WDR5)-Mixed Lineage Leukemia (MLL) Protein-Protein Interaction.
J. Med. Chem., 60, 2017
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4RX5
 | | Bruton's tyrosine kinase (BTK) with pyridazinone compound 23 | | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, GLYCEROL, N-(6-fluoro-2-methyl-3-{5-[(5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}phenyl)-1-benzothiophene-2-carboxamide, ... | | Authors: | Eigenbrot, C, Yu, C. | | Deposit date: | 2014-12-08 | | Release date: | 2015-12-02 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.356 Å) | | Cite: | Discovery of highly potent and selective Bruton's tyrosine kinase inhibitors: Pyridazinone analogs with improved metabolic stability.
Bioorg.Med.Chem.Lett., 26, 2016
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8HIH
 | | Cryo-EM structure of Mycobacterium tuberculosis transcription initiation complex with transcription factor GlnR | | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | | Authors: | Lin, W, Shi, J, Xu, J.C. | | Deposit date: | 2022-11-20 | | Release date: | 2023-06-07 | | Method: | ELECTRON MICROSCOPY (3.66 Å) | | Cite: | Structural insights into the transcription activation mechanism of the global regulator GlnR from actinobacteria.
Proc.Natl.Acad.Sci.USA, 120, 2023
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7C17
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1CU6
 | | T4 LYSOZYME MUTANT L91A | | Descriptor: | 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME | | Authors: | Gassner, N.C, Baase, W.A, Lindstrom, J.D, Lu, J, Matthews, B.W. | | Deposit date: | 1999-08-20 | | Release date: | 1999-11-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Methionine and alanine substitutions show that the formation of wild-type-like structure in the carboxy-terminal domain of T4 lysozyme is a rate-limiting step in folding.
Biochemistry, 38, 1999
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1CTW
 | | T4 LYSOZYME MUTANT I78A | | Descriptor: | 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME | | Authors: | Gassner, N.C, Baase, W.A, Lindstrom, J.D, Lu, J, Matthews, B.W. | | Deposit date: | 1999-08-20 | | Release date: | 1999-11-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Methionine and alanine substitutions show that the formation of wild-type-like structure in the carboxy-terminal domain of T4 lysozyme is a rate-limiting step in folding.
Biochemistry, 38, 1999
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