3PXR
 
 | | Apo CDK2 crystallized from Jeffamine | | Descriptor: | 1,2-ETHANEDIOL, Cell division protein kinase 2 | | Authors: | Betzi, S, Alam, R, Schonbrunn, E. | | Deposit date: | 2010-12-10 | | Release date: | 2011-02-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of a Potential Allosteric Ligand Binding Site in CDK2.
Acs Chem.Biol., 6, 2011
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8I0R
 | | The cryo-EM structure of human Bact-I complex | | Descriptor: | 116 kDa U5 small nuclear ribonucleoprotein component, BUD13 homolog, Cell division cycle 5-like protein, ... | | Authors: | Zhan, X, Lu, Y, Shi, Y. | | Deposit date: | 2023-01-11 | | Release date: | 2024-07-31 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Molecular basis for the activation of human spliceosome.
Nat Commun, 15, 2024
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3HTY
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5JQ0
 | | Crystal structure of human carbonic anhydrase II in complex with Benzoxaborole at pH=8.7 | | Descriptor: | 1,1-dihydroxy-1,3-dihydro-2,1-benzoxaborol-1-ium, Carbonic anhydrase 2, ZINC ION | | Authors: | Alterio, V, Esposito, D, Di Fiore, A, De Simone, G. | | Deposit date: | 2016-05-04 | | Release date: | 2016-10-19 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Benzoxaborole as a new chemotype for carbonic anhydrase inhibition.
Chem.Commun.(Camb.), 52, 2016
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8I0S
 | | The cryo-EM structure of human Bact-II complex | | Descriptor: | 116 kDa U5 small nuclear ribonucleoprotein component, Cell division cycle 5-like protein, Crooked neck-like protein 1, ... | | Authors: | Zhan, X, Lu, Y, Shi, Y. | | Deposit date: | 2023-01-11 | | Release date: | 2024-07-31 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Molecular basis for the activation of human spliceosome.
Nat Commun, 15, 2024
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5X8M
 | | PD-L1 in complex with durvalumab | | Descriptor: | Programmed cell death 1 ligand 1, durvalumab heavy chain, durvalumab light chain | | Authors: | Heo, Y.S, Lee, H.T. | | Deposit date: | 2017-03-03 | | Release date: | 2017-08-16 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.661 Å) | | Cite: | Molecular mechanism of PD-1/PD-L1 blockade via anti-PD-L1 antibodies atezolizumab and durvalumab
Sci Rep, 7, 2017
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5TF9
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4BZA
 | | Crystal structure of TamA POTRA domains 1-3 from E. coli | | Descriptor: | 1,2-ETHANEDIOL, TRANSLOCATION AND ASSEMBLY MODULE TAMA | | Authors: | Jakob, R.P, Gruss, F, Zaehringer, F, Burmann, B.M, Hiller, S, Maier, T. | | Deposit date: | 2013-07-24 | | Release date: | 2013-09-25 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.839 Å) | | Cite: | The Structural Basis of Autotransporter Translocation by Tama
Nat.Struct.Mol.Biol., 20, 2013
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5DFJ
 | | Human APE1 E96Q/D210N mismatch substrate complex | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*TP*(3DR)P*CP*GP*AP*CP*GP*GP*AP*TP*CP*C)-3'), ... | | Authors: | Freudenthal, B.D, Wilson, S.H. | | Deposit date: | 2015-08-26 | | Release date: | 2015-10-14 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Capturing snapshots of APE1 processing DNA damage.
Nat.Struct.Mol.Biol., 22, 2015
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1YX2
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5DF5
 | | The structure of oxidized rat cytochrome c (T28E) at 1.30 angstroms resolution. | | Descriptor: | Cytochrome c, somatic, HEME C, ... | | Authors: | Edwards, B.F.P, Mahapatra, G, Vaishnav, A.A, Brunzelle, J.S, Huttemann, M. | | Deposit date: | 2015-08-26 | | Release date: | 2016-09-14 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.301 Å) | | Cite: | The structure of oxidized rat cytochrome c (T28E) at 1.30 angstroms resolution.
To Be Published
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1YZE
 | | Crystal structure of the N-terminal domain of USP7/HAUSP. | | Descriptor: | Ubiquitin carboxyl-terminal hydrolase 7 | | Authors: | Saridakis, V, Sheng, Y, Sarkari, F, Holowaty, M.N, Shire, K, Nguyen, T, Zhang, R.G, Liao, J, Lee, W, Edwards, A.M, Arrowsmith, C.H, Frappier, L. | | Deposit date: | 2005-02-28 | | Release date: | 2005-04-05 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of the p53 binding domain of HAUSP/USP7 bound to Epstein-Barr nuclear antigen 1 implications for EBV-mediated immortalization.
Mol.Cell, 18, 2005
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6JUG
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4O2D
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6JY1
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6K1Q
 | | Human endothelin receptor type-B in complex with inverse agonist IRL2500 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2~{S})-2-[[(2~{R})-2-[(3,5-dimethylphenyl)carbonyl-methyl-amino]-3-(4-phenylphenyl)propanoyl]amino]-3-(1~{H}-indol-3-yl)propanoic acid, Endothelin B receptor,Endolysin,Endothelin B receptor, ... | | Authors: | Nagiri, C, Shihoya, W, Nureki, O. | | Deposit date: | 2019-05-11 | | Release date: | 2019-07-17 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of human endothelin ETBreceptor in complex with peptide inverse agonist IRL2500.
Commun Biol, 2, 2019
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2ZO1
 | | Mouse NP95 SRA domain DNA specific complex 2 | | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*DGP*DTP*DCP*DAP*DGP*(5CM)P*DGP*DCP*DAP*DAP*DTP*DGP*DG)-3'), DNA (5'-D(*DTP*DCP*DCP*DAP*DTP*DGP*DCP*DGP*DCP*DTP*DGP*DAP*DC)-3'), ... | | Authors: | Hashimoto, H, Horton, J.R, Cheng, X. | | Deposit date: | 2008-05-05 | | Release date: | 2008-09-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | The SRA domain of UHRF1 flips 5-methylcytosine out of the DNA helix
Nature, 455, 2008
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1U29
 | | Triglycine variant of the ARNO Pleckstrin Homology Domain in complex with Ins(1,4,5)P3 | | Descriptor: | Cytohesin 2, D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE | | Authors: | Cronin, T.C, DiNitto, J.P, Czech, M.P, Lambright, D.G. | | Deposit date: | 2004-07-16 | | Release date: | 2005-02-01 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural determinants of phosphoinositide selectivity in splice variants of Grp1 family PH domains
Embo J., 23, 2004
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7BT8
 | | Mevo lectin complex with mannotriose | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose, ... | | Authors: | Sivaji, N, Suguna, K, Surolia, A, Vijayan, M. | | Deposit date: | 2020-03-31 | | Release date: | 2021-02-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural and related studies on Mevo lectin from Methanococcus voltae A3: the first thorough characterization of an archeal lectin and its interactions.
Glycobiology, 31, 2021
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3QA0
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2A0C
 | | Human CDK2 in complex with olomoucine II, a novel 2,6,9-trisubstituted purine cyclin-dependent kinase inhibitor | | Descriptor: | 2-{[(2-{[(1R)-1-(HYDROXYMETHYL)PROPYL]AMINO}-9-ISOPROPYL-9H-PURIN-6-YL)AMINO]METHYL}PHENOL, Cell division protein kinase 2 | | Authors: | Krystof, V, McNae, I.W, Walkinshaw, M.D, Fischer, P.M, Muller, P, Vojtesek, B, Orsag, M, Havlicek, L, Strnad, M. | | Deposit date: | 2005-06-16 | | Release date: | 2006-01-24 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Antiproliferative activity of olomoucine II, a novel 2,6,9-trisubstituted purine cyclin-dependent kinase inhibitor
Cell.Mol.Life Sci., 62, 2005
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7C05
 | | Crystal structure of human Trap1 with DN203495 | | Descriptor: | 1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-4-chloranyl-pyrazolo[3,4-d]pyrimidin-6-amine, Heat shock protein 75 kDa, mitochondrial | | Authors: | Kim, D, Kim, D, Kim, S.Y, Lee, J.H, Kang, B.H, Kang, S, Lee, C. | | Deposit date: | 2020-04-30 | | Release date: | 2020-07-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Development of pyrazolo[3,4-d]pyrimidine-6-amine-based TRAP1 inhibitors that demonstrate in vivo anticancer activity in mouse xenograft models.
Bioorg.Chem., 101, 2020
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9JV3
 | | Structure of Human HDAC2 | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Tojo, T, Itoh, Y, Kurohara, T, Li, Y, Singh, R, Narozny, R, Wiel, A, Miyake, Y, Yamashita, Y, Kusakabe, K, Uchida, S, Suzuki, T. | | Deposit date: | 2024-10-08 | | Release date: | 2025-10-08 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | Discovery of an HDAC2-selective inhibitor based on enzyme-inhibitor binding thermodynamics and kinetics, and its potential as a therapeutic drug for neurological disorders
To Be Published
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5UGH
 | | Crystal structure of Mat2a bound to the allosteric inhibitor PF-02929366 | | Descriptor: | 2-(7-chloro-5-phenyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)-N,N-dimethylethan-1-amine, S-adenosylmethionine synthase isoform type-2 | | Authors: | Kaiser, S.E, Feng, J, Stewart, A.E. | | Deposit date: | 2017-01-08 | | Release date: | 2017-05-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.062 Å) | | Cite: | Targeting S-adenosylmethionine biosynthesis with a novel allosteric inhibitor of Mat2A.
Nat. Chem. Biol., 13, 2017
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6B2C
 | | Macrophage Migration Inhibitory Factor in Complex with a Naphthyridinone Inhibitor (4b) | | Descriptor: | Macrophage migration inhibitory factor, SULFATE ION, {2-[1-(3-fluoro-4-hydroxyphenyl)-1H-1,2,3-triazol-4-yl]-8-oxo-1,7-naphthyridin-7(8H)-yl}acetic acid | | Authors: | Krimmer, S.G, Robertson, M.J, Jorgensen, W.L. | | Deposit date: | 2017-09-19 | | Release date: | 2018-01-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Adding a Hydrogen Bond May Not Help: Naphthyridinone vs Quinoline Inhibitors of Macrophage Migration Inhibitory Factor.
ACS Med Chem Lett, 8, 2017
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