8TR4
 
 | | Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor X20404 | | Descriptor: | 4-(2-{(4M)-4-[(6M)-6-(2,5-dimethoxyphenyl)pyridin-3-yl]-1H-1,2,3-triazol-1-yl}ethyl)-N,N-dimethylbenzamide, Polyketide synthase Pks13, SULFATE ION | | Authors: | Krieger, I.V, Sacchettini, J.C. | | Deposit date: | 2023-08-09 | | Release date: | 2024-04-24 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Inhibitors of the Thioesterase Activity of Mycobacterium tuberculosis Pks13 Discovered Using DNA-Encoded Chemical Library Screening.
Acs Infect Dis., 10, 2024
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6M6C
 | | CryoEM structure of Thermus thermophilus RNA polymerase elongation complex | | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | | Authors: | Shi, J, Wen, A, Feng, Y. | | Deposit date: | 2020-03-14 | | Release date: | 2020-10-14 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural basis of Mfd-dependent transcription termination.
Nucleic Acids Res., 48, 2020
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8SHJ
 | | Crystal structure of the WD-repeat domain of human WDR91 in complex with MR45279 | | Descriptor: | N-[3-(4-chlorophenyl)oxetan-3-yl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]benzamide, WD repeat-containing protein 91 | | Authors: | Ahmad, H, Zeng, H, Dong, A, Li, Y, Hutchinson, A, Seitova, A, Xu, J, Feng, J.W, Brown, P.J, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-04-14 | | Release date: | 2023-07-05 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Discovery of a First-in-Class Small-Molecule Ligand for WDR91 Using DNA-Encoded Chemical Library Selection Followed by Machine Learning.
J.Med.Chem., 66, 2023
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6MIN
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6MIM
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8IX3
 | | Cryo-EM structure of SARS-CoV-2 BA.4/5 spike protein in complex with 1G11 (local refinement) | | Descriptor: | BA.4/5 variant spike protein, heavy chain of 1G11, light chain of 1G11 | | Authors: | Sun, H, Jiang, Y, Zheng, Z, Zheng, Q, Li, S. | | Deposit date: | 2023-03-31 | | Release date: | 2023-11-15 | | Last modified: | 2023-12-13 | | Method: | ELECTRON MICROSCOPY (3.98 Å) | | Cite: | Structural basis for broad neutralization of human antibody against Omicron sublineages and evasion by XBB variant.
J.Virol., 97, 2023
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6MIO
 | | Crystal structure of Taf14 YEATS domain in complex with histone H3K9pr | | Descriptor: | Histone H3K9pr, Transcription initiation factor TFIID subunit 14 | | Authors: | Klein, B.J, Andrews, F.H, Vann, K.R, Kutateladze, T.G. | | Deposit date: | 2018-09-19 | | Release date: | 2018-11-14 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural insights into the pi-pi-pi stacking mechanism and DNA-binding activity of the YEATS domain.
Nat Commun, 9, 2018
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6MIQ
 | | Crystal structure of Taf14 YEATS domain in complex with histone H3K9bu | | Descriptor: | Histone H3K9bu, Transcription initiation factor TFIID subunit 14 | | Authors: | Klein, B.J, Andrews, F.H, Vann, K.R, Kutateladze, T.G. | | Deposit date: | 2018-09-19 | | Release date: | 2018-11-14 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural insights into the pi-pi-pi stacking mechanism and DNA-binding activity of the YEATS domain.
Nat Commun, 9, 2018
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6MIP
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7KN3
 | | Crystal structure of SARS-CoV-2 spike protein receptor-binding domain complexed with a pre-pandemic antibody S-B8 Fab | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, S-B8 Fab heavy chain, ... | | Authors: | Liu, H, Zhu, X, Wilson, I.A. | | Deposit date: | 2020-11-04 | | Release date: | 2021-09-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.251 Å) | | Cite: | Neutralizing Antibodies to SARS-CoV-2 Selected from a Human Antibody Library Constructed Decades Ago.
Adv Sci, 9, 2022
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7KN4
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2IC8
 | | Crystal structure of GlpG | | Descriptor: | Protein glpG, nonyl beta-D-glucopyranoside | | Authors: | Ha, Y. | | Deposit date: | 2006-09-12 | | Release date: | 2006-10-17 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of a rhomboid family intramembrane protease.
Nature, 444, 2006
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6MIL
 | | Crystal structure of AF9 YEATS domain in complex with histone H3K9bu | | Descriptor: | DI(HYDROXYETHYL)ETHER, Histone H3K9bu, MALONATE ION, ... | | Authors: | Vann, K.R, Klein, B.J, Kutateladze, T.G. | | Deposit date: | 2018-09-19 | | Release date: | 2018-11-14 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Structural insights into the pi-pi-pi stacking mechanism and DNA-binding activity of the YEATS domain.
Nat Commun, 9, 2018
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8T55
 | | Co-crystal structure of the WD-repeat domain of human WDR91 in complex with MR46654 | | Descriptor: | 1,2-ETHANEDIOL, N-[3-(4-chlorophenyl)oxetan-3-yl]-1-propanoyl-1,2,3,4-tetrahydroquinoline-5-carboxamide, WD repeat-containing protein 91 | | Authors: | Ahmad, H, Zeng, H, Dong, A, Li, Y, Yen, H, Seitova, A, Xu, J, Feng, J.W, Brown, P.J, Santhakumar, V, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-06-12 | | Release date: | 2023-07-05 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of a First-in-Class Small-Molecule Ligand for WDR91 Using DNA-Encoded Chemical Library Selection Followed by Machine Learning.
J.Med.Chem., 66, 2023
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5K86
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7P0Z
 | | 2.43 A Mycobacterium marinum EspB. | | Descriptor: | ESX-1 secretion-associated protein EspB | | Authors: | Gijsbers, A, Zhang, Y, Vinciauskaite, V, Siroy, A, Ye, G, Tria, G, Mathew, A, Sanchez-Puig, N, Lopez-Iglesias, C, Peters, P.J, Ravelli, R.B.G. | | Deposit date: | 2021-07-01 | | Release date: | 2021-08-18 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (2.43 Å) | | Cite: | Priming mycobacterial ESX-secreted protein B to form a channel-like structure.
Curr Res Struct Biol, 3, 2021
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7LRT
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8K46
 | | A potent and broad-spectrum neutralizing nanobody for SARS-CoV-2 viruses including all major Omicron strains | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | | Authors: | Lu, Y, Gao, Y, Yao, H, Xu, W, Yang, H. | | Deposit date: | 2023-07-17 | | Release date: | 2023-12-13 | | Method: | ELECTRON MICROSCOPY (3.37 Å) | | Cite: | A potent and broad-spectrum neutralizing nanobody for SARS-CoV-2 viruses, including all major Omicron strains.
MedComm (2020), 4, 2023
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8K45
 | | A potent and broad-spectrum neutralizing nanobody for SARS-CoV-2 viruses including all major Omicron strains | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nb4 nanobody, ... | | Authors: | Lu, Y, Gao, Y, Yao, H, Xu, W, Yang, H. | | Deposit date: | 2023-07-17 | | Release date: | 2023-12-13 | | Method: | ELECTRON MICROSCOPY (3.66 Å) | | Cite: | A potent and broad-spectrum neutralizing nanobody for SARS-CoV-2 viruses, including all major Omicron strains.
MedComm (2020), 4, 2023
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8K47
 | | A potent and broad-spectrum neutralizing nanobody for SARS-CoV-2 viruses including all major Omicron strains | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | | Authors: | Lu, Y, Gao, Y, Yao, H, Xu, W, Yang, H. | | Deposit date: | 2023-07-17 | | Release date: | 2023-12-13 | | Method: | ELECTRON MICROSCOPY (3.54 Å) | | Cite: | A potent and broad-spectrum neutralizing nanobody for SARS-CoV-2 viruses, including all major Omicron strains.
MedComm (2020), 4, 2023
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8KAE
 | | 16d-bound human SPNS2 | | Descriptor: | 3-[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine, NbFab chain L, NbFab-H chain, ... | | Authors: | He, Y, Duan, Y. | | Deposit date: | 2023-08-03 | | Release date: | 2024-01-03 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (3.18 Å) | | Cite: | Structural basis of Sphingosine-1-phosphate transport via human SPNS2.
Cell Res., 34, 2024
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4GUS
 | | Crystal structure of LSD2-NPAC with H3 in space group P3221 | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Histone H3.3, ... | | Authors: | Chen, F, Dong, Z, Fang, J, Yang, Y, Li, Z, Xu, Y, Yang, H, Wang, P, Fang, R, Shi, Y, Xu, Y. | | Deposit date: | 2012-08-29 | | Release date: | 2013-01-16 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | LSD2/KDM1B and its cofactor NPAC/GLYR1 endow a structural and molecular model for regulation of H3K4 demethylation
Mol.Cell, 49, 2013
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3AQS
 | | Crystal structure of RolR (NCGL1110) without ligand | | Descriptor: | Bacterial regulatory proteins, tetR family | | Authors: | Li, D.F, Zhang, N, Hou, Y.J, Liu, S.J, Wang, D.C. | | Deposit date: | 2010-11-18 | | Release date: | 2011-07-06 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Crystal structures of the transcriptional repressor RolR reveals a novel recognition mechanism between inducer and regulator.
Plos One, 6, 2011
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5KSJ
 | | Crystal structure of deoxygenated hemoglobin in complex with Sphingosine phosphate | | Descriptor: | (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | Authors: | Ahmed, M.H, Safo, M.K, Xia, Y. | | Deposit date: | 2016-07-08 | | Release date: | 2017-07-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural and Functional Insight of Sphingosine 1-Phosphate-Mediated Pathogenic Metabolic Reprogramming in Sickle Cell Disease.
Sci Rep, 7, 2017
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5T1I
 | | CBX3 chromo shadow domain in complex with histone H3 peptide | | Descriptor: | Chromobox protein homolog 3, Histone H3.1, UNKNOWN ATOM OR ION | | Authors: | Liu, Y, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-08-19 | | Release date: | 2016-09-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Peptide recognition by heterochromatin protein 1 (HP1) chromoshadow domains revisited: Plasticity in the pseudosymmetric histone binding site of human HP1.
J. Biol. Chem., 292, 2017
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