5XVJ
 
 | | Crystal structure of AL7 PAL domain | | Descriptor: | PHD finger protein ALFIN-LIKE 7, SULFATE ION | | Authors: | Peng, L, Wang, L.L, Huang, Y. | | Deposit date: | 2017-06-28 | | Release date: | 2018-07-04 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural Analysis of the Arabidopsis AL2-PAL and PRC1 Complex Provides Mechanistic Insight into Active-to-Repressive Chromatin State Switch
J. Mol. Biol., 430, 2018
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8INZ
 | | Cryo-EM structure of human HCN3 channel in apo state | | Descriptor: | 4-[[(2~{S},4~{a}~{R},6~{S},8~{a}~{S})-6-[(4~{S},5~{R})-4-[(2~{S})-butan-2-yl]-5,9-dimethyl-decyl]-4~{a}-methyl-2,3,4,5,6,7,8,8~{a}-octahydro-1~{H}-naphthalen-2-yl]oxy]-4-oxidanylidene-butanoic acid, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 3 | | Authors: | Yu, B, Lu, Q.Y, Li, J, Zhang, J. | | Deposit date: | 2023-03-10 | | Release date: | 2024-04-10 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (2.72 Å) | | Cite: | Cryo-EM structure of human HCN3 channel and its regulation by cAMP.
J.Biol.Chem., 300, 2024
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3CD8
 | | X-ray Structure of c-Met with triazolopyridazine Inhibitor. | | Descriptor: | 7-methoxy-4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline, Hepatocyte growth factor receptor | | Authors: | Bellon, S.F, Albrecht, B.K, Harmange, J.-C, Bauer, D, Choquette, D, Dussault, I. | | Deposit date: | 2008-02-26 | | Release date: | 2008-04-29 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery and Optimization of Triazolopyridazines as Potent and Selective Inhibitors of the c-Met Kinase.
J.Med.Chem., 51, 2008
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5Y21
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6MK0
 | | Integrin AlphaVBeta3 ectodomain bound to antagonist TDI-4161 | | Descriptor: | (2S)-2-[(1,3-benzothiazole-2-carbonyl)amino]-4-{[5-(1,8-naphthyridin-2-yl)pentanoyl]amino}butanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | van Agthoven, J, Arnaout, M.A. | | Deposit date: | 2018-09-24 | | Release date: | 2019-09-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.005 Å) | | Cite: | Novel Pure alphaVbeta3 Integrin Antagonists That Do Not Induce Receptor Extension, Prime the Receptor, or Enhance Angiogenesis at Low Concentrations
Acs Pharmacol Transl Sci, 2, 2019
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5Y53
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7TCQ
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5YMV
 | | Crystal structure of 9-mer peptide from influenza virus in complex with BF2*1201 | | Descriptor: | ALA-VAL-LYS-GLY-VAL-GLY-THR-MET-VAL, Beta-2-microglobulin, Class I histocompatibility antigen, ... | | Authors: | Xiao, J, Xiang, W, Qi, J, Chai, Y, Liu, W.J, Gao, G.F. | | Deposit date: | 2017-10-22 | | Release date: | 2018-10-24 | | Last modified: | 2019-07-31 | | Method: | X-RAY DIFFRACTION (2.197 Å) | | Cite: | An Invariant Arginine in Common with MHC Class II Allows Extension at the C-Terminal End of Peptides Bound to Chicken MHC Class I.
J Immunol., 201, 2018
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7TCT
 | | Integrin alaphIIBbeta3 complex with UR2922 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A. | | Deposit date: | 2021-12-28 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.501 Å) | | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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7TD8
 | | Integrin alaphIIBbeta3 complex with Tirofiban | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A. | | Deposit date: | 2021-12-30 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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5YMW
 | | Crystal structure of 8-mer peptide from Rous sarcoma virus in complex with BF2*1201 | | Descriptor: | Beta-2-microglobulin, Class I histocompatibility antigen, F10 alpha chain, ... | | Authors: | Xiao, J, Xiang, W, Qi, J, Chai, Y, Liu, W.J, Gao, G.F. | | Deposit date: | 2017-10-22 | | Release date: | 2018-10-24 | | Last modified: | 2019-07-31 | | Method: | X-RAY DIFFRACTION (1.997 Å) | | Cite: | An Invariant Arginine in Common with MHC Class II Allows Extension at the C-Terminal End of Peptides Bound to Chicken MHC Class I.
J Immunol., 201, 2018
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3CCN
 | | X-ray structure of c-Met with triazolopyridazine inhibitor. | | Descriptor: | 4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol, Hepatocyte growth factor receptor | | Authors: | Abrecht, B.K, Harmange, J.-C, Bauer, D, Dussault, I, long, A, Bellon, S.F. | | Deposit date: | 2008-02-26 | | Release date: | 2008-04-29 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery and Optimization of Triazolopyridazines as Potent and Selective Inhibitors of the c-Met Kinase.
J.Med.Chem., 51, 2008
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7TMZ
 | | Integrin alaphIIBbeta3 complex with BMS compound 4 | | Descriptor: | (4-{[(5S)-3-{4-[(E)-imino(4-methylpiperazin-1-yl)methyl]phenyl}-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperazin-1-yl)acetic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A. | | Deposit date: | 2022-01-20 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.20002 Å) | | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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7U9F
 | | Integrin alaphIIBbeta3 complex with BMS compound 4 in Mn2+ | | Descriptor: | (4-{[(5S)-3-{4-[(E)-imino(4-methylpiperazin-1-yl)methyl]phenyl}-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperazin-1-yl)acetic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A. | | Deposit date: | 2022-03-10 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.70000529 Å) | | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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7U60
 | | Integrin alaphIIBbeta3 complex with cRGDfV | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ARG-GLY-ASP-DPN-VAL, ... | | Authors: | Zhu, J, Lin, F.Y, Zhu, J, Springer, T.A. | | Deposit date: | 2022-03-03 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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6W5I
 | | Cryo-EM structure of MLL1 in complex with RbBP5, WDR5, SET1, and ASH2L bound to the nucleosome (Class01) | | Descriptor: | DNA (147-MER), Histone H2A, Histone H2B 1.1, ... | | Authors: | Park, S.H, Lee, Y.T, Ayoub, A, Dou, Y, Cho, U. | | Deposit date: | 2020-03-13 | | Release date: | 2021-03-31 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (6.9 Å) | | Cite: | Mechanism for DPY30 and ASH2L intrinsically disordered regions to modulate the MLL/SET1 activity on chromatin.
Nat Commun, 12, 2021
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6W5N
 | | Cryo-EM structure of MLL1 in complex with RbBP5, WDR5, SET1, and ASH2L bound to the nucleosome (Class05) | | Descriptor: | DNA (147-MER), Histone H2A type 1, Histone H2B 1.1, ... | | Authors: | Park, S.H, Lee, Y.T, Ayoub, A, Dou, Y, Cho, U. | | Deposit date: | 2020-03-13 | | Release date: | 2021-03-31 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (6 Å) | | Cite: | Mechanism for DPY30 and ASH2L intrinsically disordered regions to modulate the MLL/SET1 activity on chromatin.
Nat Commun, 12, 2021
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6W5M
 | | Cryo-EM structure of MLL1 in complex with RbBP5, WDR5, SET1, and ASH2L bound to the nucleosome (Class02) | | Descriptor: | DNA (147-MER), Histone H2A type 1, Histone H2B 1.1, ... | | Authors: | Park, S.H, Lee, Y.T, Ayoub, A, Dou, Y, Cho, U. | | Deposit date: | 2020-03-13 | | Release date: | 2021-03-31 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (4.6 Å) | | Cite: | Mechanism for DPY30 and ASH2L intrinsically disordered regions to modulate the MLL/SET1 activity on chromatin.
Nat Commun, 12, 2021
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7UFV
 | | Crystal structure of the WDR domain of human DCAF1 in complex with OICR-6766 | | Descriptor: | (3P)-N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-3-(2-fluorophenyl)-1H-pyrazole-4-carboxamide, DDB1- and CUL4-associated factor 1, UNKNOWN ATOM OR ION | | Authors: | Kimani, S, Li, A, Li, Y, Dong, A, Hutchinson, A, Seitova, A, Wilson, B, Al-Awar, R, Vedadi, M, Brown, P, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2022-03-23 | | Release date: | 2022-05-04 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of Nanomolar DCAF1 Small Molecule Ligands.
J.Med.Chem., 66, 2023
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7TPD
 | | Integrin alaphIIBbeta3 complex with EF5154 | | Descriptor: | (4-{[2-oxo-4-(piperidin-4-yl)piperazin-1-yl]acetyl}phenoxy)acetic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A. | | Deposit date: | 2022-01-25 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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7THO
 | | Integrin alaphIIBbeta3 complex with Eptifibatide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A. | | Deposit date: | 2022-01-11 | | Release date: | 2022-08-17 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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6O1S
 | | Structure of human plasma kallikrein protease domain with inhibitor | | Descriptor: | 1,2-ETHANEDIOL, N-[(6-amino-2,4-dimethylpyridin-3-yl)methyl]-1-({4-[(1H-pyrazol-1-yl)methyl]phenyl}methyl)-1H-pyrazole-4-carboxamide, PHOSPHATE ION, ... | | Authors: | Partridge, J.R, Choy, R.M. | | Deposit date: | 2019-02-21 | | Release date: | 2019-03-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structures of full-length plasma kallikrein bound to highly specific inhibitors describe a new mode of targeted inhibition.
J.Struct.Biol., 206, 2019
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7V2Y
 | | cryo-EM structure of yeast THO complex with Sub2 | | Descriptor: | ATP-dependent RNA helicase SUB2, Protein TEX1, THO complex subunit 2, ... | | Authors: | Chen, C, Tan, M, Wu, Z, Wu, J, Lei, M. | | Deposit date: | 2021-08-10 | | Release date: | 2022-07-27 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural and functional insights into R-loop prevention and mRNA export by budding yeast THO-Sub2 complex.
Sci Bull (Beijing), 66, 2021
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7V2W
 | | protomer structure from the dimer of yeast THO complex | | Descriptor: | Protein TEX1, THO complex subunit 2, THO complex subunit HPR1, ... | | Authors: | Chen, C, Tan, M, Wu, Z, Wu, J, Lei, M. | | Deposit date: | 2021-08-10 | | Release date: | 2022-07-27 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural and functional insights into R-loop prevention and mRNA export by budding yeast THO-Sub2 complex.
Sci Bull (Beijing), 66, 2021
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6VYC
 | | Crystal structure of WD-repeat domain of human WDR91 | | Descriptor: | UNKNOWN ATOM OR ION, WD repeat-containing protein 91 | | Authors: | Halabelian, L, Hutchinson, A, Li, Y, Seitova, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-02-26 | | Release date: | 2020-03-25 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.1 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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