7CQ2
 
 | | Crystal structure of Slx1-Slx4 | | Descriptor: | GLYCEROL, SLX4 isoform 1, Structure-specific endonuclease subunit SLX1, ... | | Authors: | Xu, X, Wang, M, Sun, J, Li, G, Yang, N, Xu, R.M. | | Deposit date: | 2020-08-08 | | Release date: | 2021-06-16 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure specific DNA recognition by the SLX1-SLX4 endonuclease complex.
Nucleic Acids Res., 49, 2021
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7YBO
 | | Crystal structure of FGFR4 kinase domain with 10z | | Descriptor: | Fibroblast growth factor receptor 4, SULFATE ION, ~{N}-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-6-bromanyl-5-(hydroxymethyl)-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]pyridine-3-carboxamide | | Authors: | Chen, X.J, Lin, Q.M, Chen, Y.H. | | Deposit date: | 2022-06-29 | | Release date: | 2022-11-16 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.307 Å) | | Cite: | Design, Synthesis, and Biological Evaluation of 5-Formyl-pyrrolo[3,2- b ]pyridine-3-carboxamides as New Selective, Potent, and Reversible-Covalent FGFR4 Inhibitors.
J.Med.Chem., 65, 2022
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5C68
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6GL5
 | | Crystal Structure of dimethylated RSL - sulfonatocalix[4]arene complex | | Descriptor: | 1,2-ETHANEDIOL, 25,26,27,28-tetrahydroxypentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-5,11,17,23-tetrasulfonic acid, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Guagnini, F, Rennie, M.L, Crowley, P.B. | | Deposit date: | 2018-05-23 | | Release date: | 2019-06-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Protein Crystallization via Sulfonatocalix[4]arene Dimethylammonium Complexation
To Be Published
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3LIW
 | | Factor XA in complex with (R)-2-(1-ADAMANTYLCARBAMOYLAMINO)-3-(3-CARBAMIDOYL-PHENYL)-N-PHENETHYL-PROPIONIC ACID AMIDE | | Descriptor: | (R)-2-(3-ADAMANTAN-1-YL-UREIDO)-3-(3-CARBAMIMIDOYL-PHENYL)-N-PHENETHYL-PROPIONAMIDE, Activated factor Xa heavy chain, CALCIUM ION, ... | | Authors: | Mueller, M.M, Sperl, S, Sturzebecher, J, Bode, W, Moroder, L. | | Deposit date: | 2010-01-25 | | Release date: | 2010-04-07 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | (R)-3-Amidinophenylalanine-Derived Inhibitors of Factor Xa with a Novel Active-Site Binding Mode
Biol.Chem., 383, 2003
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7KTA
 | | DNA Polymerase Mu, 8-oxodGTP:Ct Pre-Catalytic Ground State Ternary Complex, 20 mM Ca2+ (120min) | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Jamsen, J.A, Wilson, S.H. | | Deposit date: | 2020-11-24 | | Release date: | 2021-12-15 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.844 Å) | | Cite: | Watching a double strand break repair polymerase insert a pro-mutagenic oxidized nucleotide.
Nat Commun, 12, 2021
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5JAR
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9FYO
 | | Lacto-N-biosidase from Trueperella pyogenes | | Descriptor: | NICKEL (II) ION, TrpyGH20, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Vuillemin, M, Siebenhaar, S, Zeuner, B, Morth, J.P. | | Deposit date: | 2024-07-03 | | Release date: | 2024-10-09 | | Last modified: | 2025-02-05 | | Method: | X-RAY DIFFRACTION (2.77 Å) | | Cite: | Discovery of Lacto-N-Biosidases and a Novel N-Acetyllactosaminidase Activity in the CAZy Family GH20: Functional Diversity and Structural Insights.
Chembiochem, 26, 2025
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5H15
 | | EED in complex with PRC2 allosteric inhibitor EED709 | | Descriptor: | (3R,4S)-1-[(2-methoxyphenyl)methyl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED | | Authors: | Zhao, K, Zhao, M, Luo, X, Zhang, H. | | Deposit date: | 2016-10-08 | | Release date: | 2017-01-25 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Discovery and Molecular Basis of a Diverse Set of Polycomb Repressive Complex 2 Inhibitors Recognition by EED
PLoS ONE, 12, 2017
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7XXF
 | | Structure of photosynthetic LH1-RC super-complex of Rhodopila globiformis | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (6~{E},8~{E},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{E},24~{E},26~{E},28~{E})-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyl-dotriaconta-6,8,10,12,14,16,18,20,22,24,26,28-dodecaen-5-one, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ... | | Authors: | Tani, K, Kanno, R, Kurosawa, K, Takaichi, S, Nagashima, K.V.P, Hall, M, Yu, L.-J, Kimura, Y, Madigan, M.T, Mizoguchi, A, Humbel, B.M, Wang-Otomo, Z.-Y. | | Deposit date: | 2022-05-30 | | Release date: | 2022-11-16 | | Last modified: | 2022-11-23 | | Method: | ELECTRON MICROSCOPY (2.24 Å) | | Cite: | An LH1-RC photocomplex from an extremophilic phototroph provides insight into origins of two photosynthesis proteins.
Commun Biol, 5, 2022
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3HH1
 | | The Structure of a Tetrapyrrole methylase family protein domain from Chlorobium tepidum TLS | | Descriptor: | 1,2-ETHANEDIOL, SULFATE ION, Tetrapyrrole methylase family protein | | Authors: | Cuff, M.E, Sather, A, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2009-05-14 | | Release date: | 2009-07-07 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | The Structure of a Tetrapyrrole methylase family protein domain from Chlorobium tepidum TLS.
TO BE PUBLISHED
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6SWM
 | | selenol bound carbonic anhydrase I | | Descriptor: | (2~{R})-1-prop-2-enoxy-3-selanyl-propan-2-ol, Carbonic anhydrase 1, ZINC ION | | Authors: | Angeli, A, Ferraroni, M. | | Deposit date: | 2019-09-22 | | Release date: | 2020-10-07 | | Last modified: | 2025-10-01 | | Method: | X-RAY DIFFRACTION (2.77 Å) | | Cite: | Selenols: a new class of carbonic anhydrase inhibitors.
Chem.Commun.(Camb.), 55, 2019
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5C0L
 | | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 2 | | Descriptor: | 4-(4-bromo-1H-pyrazol-1-yl)piperidinium, E3 ubiquitin-protein ligase XIAP, ZINC ION | | Authors: | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | | Deposit date: | 2015-06-12 | | Release date: | 2015-08-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP.
J.Med.Chem., 58, 2015
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4N3S
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5H2N
 | | A three dimensional movie of structural changes in bacteriorhodopsin: structure obtained 95.2 us after photoexcitation | | Descriptor: | 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ... | | Authors: | Royant, A, Nango, E, Nakane, T, Tanaka, T, Arima, T, Neutze, R, Iwata, S. | | Deposit date: | 2016-10-15 | | Release date: | 2016-12-21 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A three-dimensional movie of structural changes in bacteriorhodopsin
Science, 354, 2016
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5H2O
 | | A three dimensional movie of structural changes in bacteriorhodopsin: structure obtained 250 us after photoexcitation | | Descriptor: | 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ... | | Authors: | Royant, A, Nango, E, Nakane, T, Tanaka, T, Arima, T, Neutze, R, Iwata, S. | | Deposit date: | 2016-10-15 | | Release date: | 2016-12-21 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A three-dimensional movie of structural changes in bacteriorhodopsin
Science, 354, 2016
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7YBP
 | | Crystal structure of FGFR4(V550L) kinase domain with 10z | | Descriptor: | Fibroblast growth factor receptor 4, SULFATE ION, ~{N}-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-6-bromanyl-5-(hydroxymethyl)-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]pyridine-3-carboxamide | | Authors: | Chen, X.J, Lin, Q.M, Chen, Y.H. | | Deposit date: | 2022-06-29 | | Release date: | 2022-11-16 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.243 Å) | | Cite: | Design, Synthesis, and Biological Evaluation of 5-Formyl-pyrrolo[3,2- b ]pyridine-3-carboxamides as New Selective, Potent, and Reversible-Covalent FGFR4 Inhibitors.
J.Med.Chem., 65, 2022
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3HID
 | | Crystal structure of adenylosuccinate synthetase from Yersinia pestis CO92 | | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, Adenylosuccinate synthetase | | Authors: | Zhang, R, Zhou, M, Peterson, S, Anderson, W, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2009-05-19 | | Release date: | 2009-06-02 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The crystal structure of the adenylosuccinate synthetase from Yersinia pestis CO92
To be Published
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6SYS
 | | Crystal structure of (3aR,4S,9bS)-4-(4-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide with carbonic anhydrase 2 | | Descriptor: | (4~{S})-4-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1~{H}-cyclopenta[c]quinoline-8-sulfonamide, GLYCEROL, ZINC ION, ... | | Authors: | Angeli, A, Ferraroni, M. | | Deposit date: | 2019-10-01 | | Release date: | 2020-10-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Crystal structure of (3aR,4S,9bS)-4-(4-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide with carbonic anhydrase 2
To Be Published
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7YBX
 | | Crystal structure of FGFR4(V550M) kinase domain with 10z | | Descriptor: | Fibroblast growth factor receptor 4, SULFATE ION, ~{N}-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-6-bromanyl-5-(hydroxymethyl)-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]pyridine-3-carboxamide | | Authors: | Chen, X.J, Lin, Q.M, Chen, Y.H. | | Deposit date: | 2022-06-30 | | Release date: | 2022-11-16 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.233 Å) | | Cite: | Design, Synthesis, and Biological Evaluation of 5-Formyl-pyrrolo[3,2- b ]pyridine-3-carboxamides as New Selective, Potent, and Reversible-Covalent FGFR4 Inhibitors.
J.Med.Chem., 65, 2022
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6E8T
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5C3K
 | | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 4 | | Descriptor: | (2S)-1-[(6-aminopyridin-2-yl)amino]-1-oxopropan-2-aminium, E3 ubiquitin-protein ligase XIAP, ZINC ION | | Authors: | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | | Deposit date: | 2015-06-17 | | Release date: | 2015-08-12 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP.
J.Med.Chem., 58, 2015
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4J51
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5JHS
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6PIX
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