7V15
 
 | | Factor XIa in Complex with Compound 2i | | Descriptor: | 5-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-4-methyl-1,3-thiazole, CITRIC ACID, Coagulation factor XIa light chain | | Authors: | Shaffer, P.L, Cedervall, P, Milligan, C.M. | | Deposit date: | 2022-05-11 | | Release date: | 2022-08-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.679 Å) | | Cite: | Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions.
J.Med.Chem., 65, 2022
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7V10
 | | Factor XIa in Complex with Compound 2d | | Descriptor: | CITRIC ACID, Coagulation factor XIa light chain, methyl ~{N}-[4-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]phenyl]carbamate | | Authors: | Shaffer, P.L, Spurlino, J, Milligan, C.M. | | Deposit date: | 2022-05-11 | | Release date: | 2022-08-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.798 Å) | | Cite: | Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions.
J.Med.Chem., 65, 2022
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3B1B
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7CFG
 | | Structure of the transmembrane domain of the bacterial CNNM/CorC family Mg2+ transporter in complex with Mg2+ | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Hemolysin, MAGNESIUM ION, ... | | Authors: | Huang, Y, Jin, F, Hattori, M. | | Deposit date: | 2020-06-25 | | Release date: | 2021-02-24 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural basis for the Mg 2+ recognition and regulation of the CorC Mg 2+ transporter.
Sci Adv, 7, 2021
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7CFF
 | | Structure of the thermostabilized transmembrane domain of the bacterial CNNM/CorC family Mg2+ transporter in complex with Mg2+ | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Hemolysin, ... | | Authors: | Huang, Y, Jin, F, Hattori, M. | | Deposit date: | 2020-06-25 | | Release date: | 2021-02-24 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis for the Mg 2+ recognition and regulation of the CorC Mg 2+ transporter.
Sci Adv, 7, 2021
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7CFH
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7CFI
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3KPX
 | | Crystal Structure Analysis of photoprotein clytin | | Descriptor: | Apophotoprotein clytin-3, C2-HYDROPEROXY-COELENTERAZINE, CALCIUM ION | | Authors: | Titushin, M.S, Li, Y, Stepanyuk, G.A, Wang, B.-C, Lee, J, Vysotski, E.S, Liu, Z.-J. | | Deposit date: | 2009-11-17 | | Release date: | 2010-10-06 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.899 Å) | | Cite: | NMR derived topology of a GFP-photoprotein energy transfer complex
J.Biol.Chem., 285, 2010
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3SWC
 | | GLP (G9a-like protein) SET domain in complex with Dnmt3aK44me2 peptide | | Descriptor: | DNA (cytosine-5)-methyltransferase 3A, Histone-lysine N-methyltransferase EHMT1, S-ADENOSYL-L-HOMOCYSTEINE, ... | | Authors: | Chang, Y, Horton, J.R, Zhang, X, Cheng, X. | | Deposit date: | 2011-07-13 | | Release date: | 2011-11-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.332 Å) | | Cite: | MPP8 mediates the interactions between DNA methyltransferase Dnmt3a and H3K9 methyltransferase GLP/G9a.
Nat Commun, 2, 2011
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6CHZ
 | | Estrogen Receptor Alpha Y537S bound to antagonist H3B-9224. | | Descriptor: | 1,2-ETHANEDIOL, 4-[(2-{4-[(1E)-1-(1H-indazol-5-yl)-2-phenylbut-1-en-1-yl]phenoxy}ethyl)amino]-N,N-dimethylbutanamide, Estrogen receptor | | Authors: | Larsen, N.A. | | Deposit date: | 2018-02-23 | | Release date: | 2018-03-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Discovery of Selective Estrogen Receptor Covalent Antagonists for the Treatment of ER alphaWTand ER alphaMUTBreast Cancer.
Cancer Discov, 8, 2018
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8JHZ
 | | Cryo-EM structure of the TcsH-TMPRSS2 complex | | Descriptor: | Hemorrhagic toxin, Transmembrane protease serine 2, ZINC ION | | Authors: | Zhou, R, Liang, T, Zhan, X. | | Deposit date: | 2023-05-25 | | Release date: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Molecular basis of TMPRSS2 recognition by Paeniclostridium sordellii hemorrhagic toxin.
Nat Commun, 15, 2024
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5V0J
 | | RNA duplex with 2-MeImpG analogue bound-2 binding sites | | Descriptor: | 5'-O-[(S)-hydroxy(4-methyl-1H-imidazol-5-yl)phosphoryl]guanosine, MAGNESIUM ION, RNA (5'-R(*(LCC)P*(LCC)P*(LCA)P*(LCG)P*AP*CP*UP*UP*AP*AP*GP*UP*CP*U)-3') | | Authors: | Zhang, W, Tam, C.P, Szostak, J.W. | | Deposit date: | 2017-02-28 | | Release date: | 2017-03-08 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural Rationale for the Enhanced Catalysis of Nonenzymatic RNA Primer Extension by a Downstream Oligonucleotide.
J. Am. Chem. Soc., 140, 2018
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5V0O
 | | RNA hairpin structure containing 2-MeImpG analogue bound | | Descriptor: | 5'-O-[(S)-hydroxy(4-methyl-1H-imidazol-5-yl)phosphoryl]guanosine, RNA (25-MER), RNA (5'-R(*GP*CP*AP*CP*CP*UP*CP*A)-3') | | Authors: | Zhang, W, Tam, C.P, Szostak, J.W. | | Deposit date: | 2017-02-28 | | Release date: | 2018-02-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural Rationale for the Enhanced Catalysis of Nonenzymatic RNA Primer Extension by a Downstream Oligonucleotide.
J. Am. Chem. Soc., 140, 2018
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5V0H
 | | RNA duplex with 2-MeImpG analogue bound-one binding site | | Descriptor: | 5'-O-[(S)-hydroxy(4-methyl-1H-imidazol-5-yl)phosphoryl]guanosine, MAGNESIUM ION, RNA (5'-R(*(LCC)P*(LCC)P*(LCC)P*(LCG)P*AP*CP*UP*UP*AP*AP*GP*UP*CP*GP*G)-3') | | Authors: | Zhang, W, Tam, C.P, Szostak, J.W. | | Deposit date: | 2017-02-28 | | Release date: | 2017-03-08 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Rationale for the Enhanced Catalysis of Nonenzymatic RNA Primer Extension by a Downstream Oligonucleotide.
J. Am. Chem. Soc., 140, 2018
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3ZTX
 | | Aurora kinase selective inhibitors identified using a Taxol-induced checkpoint sensitivity screen. | | Descriptor: | 2-((4-(4-HYDROXYPIPERIDIN-1-YL)PHENYL)AMINO)-5,11-DIMETHYL-5H-BENZO[E]PYRIMIDO [5,4-B][1,4]DIAZEPIN-6(11H)-ONE, INNER CENTROMERE PROTEIN A, SERINE/THREONINE-PROTEIN KINASE 12-A | | Authors: | Kwiatkowski, N, Villa, F, Musacchio, A, Gray, N. | | Deposit date: | 2011-07-12 | | Release date: | 2012-02-01 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Selective Aurora Kinase Inhibitors Identified Using a Taxol- Induced Checkpoint Sensitivity Screen.
Acs Chem.Biol., 7, 2012
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4LY9
 | | Human GKRP complexed to AMG-1694 [(2R)-1,1,1-trifluoro-2-{4-[(2S)-2-{[(3S)-3-methylmorpholin-4-yl]methyl}-4-(thiophen-2-ylsulfonyl)piperazin-1-yl]phenyl}propan-2-ol] and sorbitol-6-phosphate | | Descriptor: | (2R)-1,1,1-trifluoro-2-{4-[(2S)-2-{[(3S)-3-methylmorpholin-4-yl]methyl}-4-(thiophen-2-ylsulfonyl)piperazin-1-yl]phenyl}propan-2-ol, D-SORBITOL-6-PHOSPHATE, GLYCEROL, ... | | Authors: | Jordan, S.R. | | Deposit date: | 2013-07-30 | | Release date: | 2013-11-20 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Antidiabetic effects of glucokinase regulatory protein small-molecule disruptors.
Nature, 504, 2013
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7XGY
 | | cryo-EM structure of hemoglobin | | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Liu, N, Wang, H.W. | | Deposit date: | 2022-04-07 | | Release date: | 2022-11-09 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Uniform thin ice on ultraflat graphene for high-resolution cryo-EM.
Nat.Methods, 20, 2023
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6C0B
 | | Structural basis for recognition of frizzled proteins by Clostridium difficile toxin B | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Frizzled-2, MALONATE ION, ... | | Authors: | Chen, P, Lam, K, Jin, R. | | Deposit date: | 2017-12-28 | | Release date: | 2018-05-16 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis for recognition of frizzled proteins byClostridium difficiletoxin B.
Science, 360, 2018
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5VCI
 | | RNA hairpin structure containing tetraloop/receptor motif, complexed with 2-MeImpG analogue | | Descriptor: | 5'-O-[(S)-hydroxy(4-methyl-1H-imidazol-5-yl)phosphoryl]guanosine, RNA (5'-R(*CP*UP*GP*CP*UP*GP*GP*CP*UP*AP*AP*GP*GP*CP*CP*CP*GP*AP*AP*AP*GP*G)-3'), RNA (5'-R(P*CP*UP*AP*UP*GP*CP*CP*UP*GP*CP*UP*G)-3') | | Authors: | Szostak, J.W, Zhang, W. | | Deposit date: | 2017-03-31 | | Release date: | 2018-02-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural Rationale for the Enhanced Catalysis of Nonenzymatic RNA Primer Extension by a Downstream Oligonucleotide.
J. Am. Chem. Soc., 140, 2018
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5UZ6
 | | RNA hairpin structure containing 2-MeImp-oligo analogue | | Descriptor: | RNA (25-MER), RNA (5'-D(*(8OS))-R(P*CP*AP*CP*CP*UP*CP*A)-3') | | Authors: | Zhang, W, Oh, S.S, Szostak, J.W. | | Deposit date: | 2017-02-24 | | Release date: | 2018-02-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Rationale for the Enhanced Catalysis of Nonenzymatic RNA Primer Extension by a Downstream Oligonucleotide.
J. Am. Chem. Soc., 140, 2018
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5C8S
 | | Crystal structure of the SARS coronavirus nsp14-nsp10 complex with functional ligands SAH and GpppA | | Descriptor: | GUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE, Guanine-N7 methyltransferase, MAGNESIUM ION, ... | | Authors: | Ma, Y.Y, Wu, L.J, Zhang, R.G, Rao, Z.H. | | Deposit date: | 2015-06-26 | | Release date: | 2015-07-15 | | Last modified: | 2015-08-12 | | Method: | X-RAY DIFFRACTION (3.326 Å) | | Cite: | Structural basis and functional analysis of the SARS coronavirus nsp14-nsp10 complex
Proc.Natl.Acad.Sci.USA, 112, 2015
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7XDQ
 | | Crystal structure of a glucosylglycerol phosphorylase mutant from Marinobacter adhaerens | | Descriptor: | Glucosylglycerol phosphorylase, LITHIUM ION, beta-D-glucopyranose | | Authors: | Wei, H.L, Li, Q, Yang, J.G, Liu, W.D, Sun, Y.X. | | Deposit date: | 2022-03-28 | | Release date: | 2023-02-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.83 Å) | | Cite: | Protein Engineering of Glucosylglycerol Phosphorylase Facilitating Efficient and Highly Regio- and Stereoselective Glycosylation of Polyols in a Synthetic System.
Acs Catalysis, 2022
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7XDR
 | | Crystal structure of a glucosylglycerol phosphorylase from Marinobacter adhaerens | | Descriptor: | Glucosylglycerol phosphorylase | | Authors: | Wei, H.L, Li, Q, Yang, J.G, Liu, W.D, Sun, Y.X. | | Deposit date: | 2022-03-28 | | Release date: | 2023-02-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Protein Engineering of Glucosylglycerol Phosphorylase Facilitating Efficient and Highly Regio- and Stereoselective Glycosylation of Polyols in a Synthetic System.
Acs Catalysis, 2022
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6CHW
 | | Estrogen Receptor Alpha Y537S covalently bound to antagonist H3B-5942. | | Descriptor: | 1,2-ETHANEDIOL, 4-[(2-{4-[(1E)-1-(1H-indazol-5-yl)-2-phenylbut-1-en-1-yl]phenoxy}ethyl)amino]-N,N-dimethylbutanamide, DIMETHYL SULFOXIDE, ... | | Authors: | Larsen, N.A. | | Deposit date: | 2018-02-23 | | Release date: | 2018-03-21 | | Last modified: | 2020-02-26 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Discovery of Selective Estrogen Receptor Covalent Antagonists for the Treatment of ER alphaWTand ER alphaMUTBreast Cancer.
Cancer Discov, 8, 2018
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5D41
 | | EGFR kinase domain in complex with mutant selective allosteric inhibitor | | Descriptor: | (2R)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide, Epidermal growth factor receptor, MAGNESIUM ION, ... | | Authors: | Yun, C.-H, Park, E, Eck, M.J. | | Deposit date: | 2015-08-07 | | Release date: | 2016-06-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Overcoming EGFR(T790M) and EGFR(C797S) resistance with mutant-selective allosteric inhibitors.
Nature, 534, 2016
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