391D
 
 | | STRUCTURAL VARIABILITY AND NEW INTERMOLECULAR INTERACTIONS OF Z-DNA IN CRYSTALS OF D(PCPGPCPGPCPG) | | Descriptor: | DNA (5'-D(P*CP*GP*CP*GP*CP*G)-3') | | Authors: | Malinina, L, Tereshko, V, Ivanova, E, Subirana, J.A, Zarytova, V, Nekrasov, Y. | | Deposit date: | 1998-04-20 | | Release date: | 1998-05-05 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structural variability and new intermolecular interactions of Z-DNA in crystals of d(pCpGpCpGpCpG).
Biophys.J., 74, 1998
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1D16
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392D
 | | STRUCTURAL VARIABILITY AND NEW INTERMOLECULAR INTERACTIONS OF Z-DNA IN CRYSTALS OF D(PCPGPCPGPCPG) | | Descriptor: | DNA (5'-D(P*CP*GP*CP*GP*CP*G)-3'), MAGNESIUM ION | | Authors: | Malinina, L, Tereshko, V, Ivanova, E, Subirana, J.A, Zarytova, V, Nekrasov, Y. | | Deposit date: | 1998-04-20 | | Release date: | 1998-05-05 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural variability and new intermolecular interactions of Z-DNA in crystals of d(pCpGpCpGpCpG).
Biophys.J., 74, 1998
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390D
 | | STRUCTURAL VARIABILITY AND NEW INTERMOLECULAR INTERACTIONS OF Z-DNA IN CRYSTALS OF D(PCPGPCPGPCPG) | | Descriptor: | DNA (5'-D(P*CP*GP*CP*GP*CP*G)-3') | | Authors: | Malinina, L, Tereshko, V, Ivanova, E, Subirana, J.A, Zarytova, V, Nekrasov, Y. | | Deposit date: | 1998-04-20 | | Release date: | 1998-05-05 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural variability and new intermolecular interactions of Z-DNA in crystals of d(pCpGpCpGpCpG).
Biophys.J., 74, 1998
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2CBN
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6BST
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7DLX
 | | crystal structure of H2AM4>Z-H2B | | Descriptor: | Histone H2B,Histone H2A | | Authors: | Dai, L.C, Zhou, Z. | | Deposit date: | 2020-11-30 | | Release date: | 2021-06-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.395 Å) | | Cite: | Recognition of the inherently unstable H2A nucleosome by Swc2 is a major determinant for unidirectional H2A.Z exchange.
Cell Rep, 35, 2021
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3F1S
 | | Crystal structure of Protein Z complexed with protein Z-dependent inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Zhou, A. | | Deposit date: | 2008-10-28 | | Release date: | 2009-06-30 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of protein Z-dependent inhibitor complex shows how protein Z functions as a cofactor in the membrane inhibition of factor X.
Blood, 2009
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3P4J
 | | Ultra-high resolution structure of d(CGCGCG)2 Z-DNA | | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*CP*G)-3'), SPERMINE | | Authors: | Brzezinski, K, Brzuszkiewicz, A, Dauter, M, Kubicki, M, Jaskolski, M, Dauter, Z. | | Deposit date: | 2010-10-06 | | Release date: | 2011-08-24 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (0.55 Å) | | Cite: | High regularity of Z-DNA revealed by ultra high-resolution crystal structure at 0.55 A.
Nucleic Acids Res., 39, 2011
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7AA0
 | | Structural comparison of cellular retinoic acid binding protein I and II in the presence and absence of natural and synthetic ligands | | Descriptor: | (~{E})-3-[4-(4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinolin-6-yl)phenyl]prop-2-enoic acid, Cellular retinoic acid-binding protein 2 | | Authors: | Tomlinson, C.W.E, Cornish, K.A.S, Pohl, E. | | Deposit date: | 2020-09-02 | | Release date: | 2021-02-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Structure-functional relationship of cellular retinoic acid-binding proteins I and II interacting with natural and synthetic ligands.
Acta Crystallogr D Struct Biol, 77, 2021
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4D7Z
 | | E. coli L-aspartate-alpha-decarboxylase mutant N72Q to a resolution of 1.9 Angstroms | | Descriptor: | ASPARTATE 1-DECARBOXYLASE ALPHA CHAIN, ASPARTATE 1-DECARBOXYLASE BETA CHAIN, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Bravo, J.P.K, Monteiro, D.C.F, Webb, M.E, Pearson, A.R. | | Deposit date: | 2014-12-02 | | Release date: | 2016-01-13 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The Structure of the E. Coli L-Aspartate-Alpha-Decarboxylase Mutant N72Q to a Resolution of 1.9 Angstroms
To be Published
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6VEL
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1ELZ
 | | E. COLI ALKALINE PHOSPHATASE MUTANT (S102G) | | Descriptor: | ALKALINE PHOSPHATASE, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Stec, B, Hehir, M, Brennan, C, Nolte, M, Kantrowitz, E.R. | | Deposit date: | 1998-02-10 | | Release date: | 1998-05-27 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Kinetic and X-ray structural studies of three mutant E. coli alkaline phosphatases: insights into the catalytic mechanism without the nucleophile Ser102.
J.Mol.Biol., 277, 1998
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1ELY
 | | E. COLI ALKALINE PHOSPHATASE MUTANT (S102C) | | Descriptor: | ALKALINE PHOSPHATASE, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Stec, B, Hehir, M, Brennan, C, Nolte, M, Kantrowitz, E.R. | | Deposit date: | 1998-02-10 | | Release date: | 1998-05-27 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Kinetic and X-ray structural studies of three mutant E. coli alkaline phosphatases: insights into the catalytic mechanism without the nucleophile Ser102.
J.Mol.Biol., 277, 1998
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1ELX
 | | E. COLI ALKALINE PHOSPHATASE MUTANT (S102A) | | Descriptor: | ALKALINE PHOSPHATASE, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Stec, B, Hehir, M, Brennan, C, Nolte, M, Kantrowitz, E.R. | | Deposit date: | 1998-02-10 | | Release date: | 1998-05-27 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Kinetic and X-ray structural studies of three mutant E. coli alkaline phosphatases: insights into the catalytic mechanism without the nucleophile Ser102.
J.Mol.Biol., 277, 1998
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8BO6
 | | COAGULATION FACTOR XI PROTEASE DOMAIN IN COMPLEX WITH ACTIVE SITE INHIBITOR 2 | | Descriptor: | (~{E})-~{N}-[[5-(3-azanyl-1~{H}-indazol-6-yl)-4-chloranyl-1~{H}-imidazol-2-yl]methyl]-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enamide, CITRIC ACID, Coagulation factor XIa light chain, ... | | Authors: | Schaefer, M, Roehrig, S, Ackerstaff, J, Nunez, E.J, Gericke, K.M, Meier, K, Tersteegen, A, Stampfuss, J, Ellerbrock, P, Meibom, D, Lang, D, Heitmeier, S, Hillisch, A. | | Deposit date: | 2022-11-14 | | Release date: | 2023-09-13 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Design and Preclinical Characterization Program toward Asundexian (BAY 2433334), an Oral Factor XIa Inhibitor for the Prevention and Treatment of Thromboembolic Disorders.
J.Med.Chem., 66, 2023
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6S4F
 | | Structure of human MTHFD2 in complex with TH9619 | | Descriptor: | (E,4S)-4-[[5-[2-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]ethanoylamino]-3-fluoranyl-pyridin-2-yl]carbonylamino]pent-2-enedioic acid, ADENOSINE-5'-DIPHOSPHATE, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, ... | | Authors: | Scaletti, E.R, Gustafsson, R, Bonagas, N, Gustafsson, N.M, Henriksson, M, Abdurakhmanov, E, Andersson, Y, Bengtsson, C, Borhade, S, Desroses, M, Farnegardh, K, Garg, N, Gokturk, C, Haraldsson, M, Iliev, P, Jarvius, M, Jemth, A.S, Kalderen, C, Karsten, S, Klingegard, F, Koolmeister, T, Martens, U, Llona-Minguez, S, Loseva, O, Marttila, P, Michel, M, Moulson, R, Nordstrom, H, Paulin, C, Pham, T, Pudelko, L, Rasti, A, Roos, A.K, Sarno, A, Sandberg, L, Scobie, M, Sjoberg, B, Svensson, R, Unterlass, J.E, Vallin, K, Vo, D, Wiita, E, Warpman-Berglund, U, Homan, E.J, Helleday, T, Stenmark, P. | | Deposit date: | 2019-06-27 | | Release date: | 2021-07-07 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Pharmacological targeting of MTHFD2 suppresses acute myeloid leukemia by inducing thymidine depletion and replication stress.
Nat Cancer, 3, 2022
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6Q4K
 | | CDK2 in complex with FragLite38 | | Descriptor: | (~{E})-3-[3-[(4-chlorophenyl)carbamoyl]phenyl]prop-2-enoic acid, 1,2-ETHANEDIOL, Cyclin-dependent kinase 2 | | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | | Deposit date: | 2018-12-05 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.06 Å) | | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation.
J.Med.Chem., 62, 2019
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9FXL
 | | TRPC4 in complex with E-AzPico | | Descriptor: | (E)-7-(4-chlorobenzyl)-1-(3-hydroxypropyl)-3-methyl-8-(4-(phenyldiazenyl)-3-(trifluoromethoxy)phenoxy)-3,7-dihydro-1H-purine-2,6-dione, Transient receptor potential cation channel subfamily c member 4a | | Authors: | Vinayagam, D, Raunser, S. | | Deposit date: | 2024-07-01 | | Release date: | 2025-07-09 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | TRPC4 in complex with E-AzPico
To Be Published
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9GIV
 | | Structure of the human mitochondrial pyruvate carrier inhibited by a UK5099-derivative | | Descriptor: | (~{E})-2-cyano-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enoic acid, Mitochondrial pyruvate carrier 1-like protein, Mitochondrial pyruvate carrier 2, ... | | Authors: | Sichrovsky, M, Lacabanne, D, Ruprecht, J.J, Rana, J.J, Stanik, K, Dionysopoulou, M, Sowton, A.P, King, M.S, Jones, S, Cooper, L, Hardwick, S.W, Paris, G, Chirgadze, D.Y, Ding, S, Fearnley, I.M.F, Palmer, S, Pardon, E, Steyaert, J, Leone, V, Forrest, L.R, Tavoulari, S, Kunji, E.R.S. | | Deposit date: | 2024-08-19 | | Release date: | 2025-05-07 | | Method: | ELECTRON MICROSCOPY (3.65 Å) | | Cite: | Molecular basis of pyruvate transport and inhibition of the human mitochondrial pyruvate carrier.
Sci Adv, 11, 2025
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5KDI
 | | How FAPP2 Selects Simple Glycosphingolipids Using the GLTP-fold | | Descriptor: | (~{Z})-~{N}-[(~{E},2~{S},3~{R})-1-[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-octadec-4-en-2-yl]octadec-9-enamide, Pleckstrin homology domain-containing family A member 8 | | Authors: | Ochoa-Lizarralde, B, Popov, A.N, Samygina, V.R, Patel, D.J, Brown, R.E, Malinina, L. | | Deposit date: | 2016-06-08 | | Release date: | 2017-12-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structural analyses of 4-phosphate adaptor protein 2 yield mechanistic insights into sphingolipid recognition by the glycolipid transfer protein family.
J.Biol.Chem., 293, 2018
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9H4D
 | | Crystal structure of IL-17A in complex with compound 18 | | Descriptor: | (E)-N-[(1S)-1-[4,4-bis(fluoranyl)cyclohexyl]-2-oxidanylidene-2-[[5-[(2-oxidanylidene-3H-benzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]amino]ethyl]-3-cyclopropyl-2-fluoranyl-prop-2-enamide, Interleukin-17A | | Authors: | Rondeau, J.M, Lehmann, S, Scheufler, C. | | Deposit date: | 2024-10-18 | | Release date: | 2025-01-22 | | Last modified: | 2025-04-16 | | Method: | X-RAY DIFFRACTION (2.117 Å) | | Cite: | Thiazole-Based IL-17 Inhibitors Discovered by Scaffold Morphing.
Chemmedchem, 20, 2025
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6RFE
 | | Human protein kinase CK2 alpha in complex with 2-cyano-2-propenamide compound 4 | | Descriptor: | (~{E})-~{N}-(5-bromanyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enamide, 1,2-ETHANEDIOL, Casein kinase II subunit alpha, ... | | Authors: | Dalle Vedove, A, Zanforlin, E, Ribaudo, G, Zagotto, G, Battistutta, R, Lolli, G. | | Deposit date: | 2019-04-13 | | Release date: | 2020-04-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | A novel class of selective CK2 inhibitors targeting its open hinge conformation.
Eur.J.Med.Chem., 195, 2020
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6RCM
 | | Human protein kinase CK2 alpha in complex with 2-cyano-2-propenamide compound 3 | | Descriptor: | (~{E})-~{N}-(5-~{tert}-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enamide, 1,2-ETHANEDIOL, Casein kinase II subunit alpha, ... | | Authors: | Dalle Vedove, A, Zanforlin, E, Ribaudo, G, Zagotto, G, Battistutta, R, Lolli, G. | | Deposit date: | 2019-04-11 | | Release date: | 2020-04-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A novel class of selective CK2 inhibitors targeting its open hinge conformation.
Eur.J.Med.Chem., 195, 2020
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9H4O
 | | Crystal structure of IL-17A in complex with compound 11 | | Descriptor: | (E)-N-[(1S)-1-[4,4-bis(fluoranyl)cyclohexyl]-2-oxidanylidene-2-[[5-[[(4S)-2-oxidanylidene-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]amino]ethyl]-3-cyclopropyl-2-fluoranyl-prop-2-enamide, Interleukin-17A, SULFATE ION | | Authors: | Rondeau, J.M, Lehmann, S, Scheufler, C. | | Deposit date: | 2024-10-21 | | Release date: | 2025-01-22 | | Last modified: | 2025-04-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Thiazole-Based IL-17 Inhibitors Discovered by Scaffold Morphing.
Chemmedchem, 20, 2025
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