3AMH
 
 | | crystal structure of cellulase 12A from Thermotoga maritima | | Descriptor: | Endo-1,4-beta-glucanase | | Authors: | Cheng, Y.-S, Ko, T.-P, Liu, J.-R, Guo, R.-T. | | Deposit date: | 2010-08-20 | | Release date: | 2011-03-16 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Crystal structure and substrate-binding mode of cellulase 12A from Thermotoga maritima
Proteins, 79, 2011
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4Y43
 | | Endothiapepsin in complex with fragment 42 | | Descriptor: | (1E,2E)-N,N'-di(propan-2-yl)cyclohepta-3,5-diene-1,2-diimine, 1,2-ETHANEDIOL, Endothiapepsin, ... | | Authors: | Radeva, N, Uehlein, M, Weiss, M.S, Heine, A, Klebe, G. | | Deposit date: | 2015-02-10 | | Release date: | 2016-02-17 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Crystallographic Fragment Screening of an Entire Library
To Be Published
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3ZH3
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7GAZ
 | | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with DUN-NEW-f8ce3686-14 (Mpro-x10049) | | Descriptor: | 1-{2-[(methanesulfonyl)amino]ethyl}-1,2,3,4-tetrahydroquinoline-7-sulfonamide, 3C-like proteinase, DIMETHYL SULFOXIDE | | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-11 | | Release date: | 2023-11-08 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.753 Å) | | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
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9MMP
 | | Cryo-EM structure of CRAF/MEK1/14-3-3 complex (autoinhibited conformation) | | Descriptor: | 14-3-3 protein zeta, 5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, ... | | Authors: | Jang, D.M, Jeon, H, Eck, M.J. | | Deposit date: | 2024-12-20 | | Release date: | 2025-09-10 | | Last modified: | 2025-10-08 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Cryo-EM structures of CRAF/MEK1/14-3-3 complexes in autoinhibited and open-monomer states reveal features of RAF regulation.
Nat Commun, 16, 2025
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4BVV
 | | Identification of small molecule inhibitors selective for apo(a) kringles KIV-7, KIV-10 and KV. | | Descriptor: | 1-CYCLOPROPYL-6-FLUORO-4-OXO-7-PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID, APOLIPOPROTEIN(A), SULFATE ION | | Authors: | Sandmark, J, Althage, M, Andersson, G.M.K, Antonsson, T, Blaho, S, Bodin, C, Bostrom, J, Chen, Y, Dahlen, A, Eriksson, P.O, Evertsson, E, Fex, T, Fjellstrom, O, Gustafsson, D, Hallberg, C, Hicks, R, Jarkvist, E, Johansson, C, Kalies, I, Kang, D, Svalstedt Karlsson, B, Kartberg, F, Legnehed, A, Lindqvist, A.M, Martinsson, S.A, Moberg, A, Petersson, A.U, Ridderstrom, M, Thelin, A, Tigerstrom, A, Vinblad, J, Xu, B, Knecht, W. | | Deposit date: | 2013-06-28 | | Release date: | 2014-07-16 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Small Molecules Used to Decipher the Pathophysiological Roles of the Kringle Domains Kiv-7, - 10 and Kv of Apolipoprotein(A)
To be Published
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1IPC
 | | CRYSTAL STRUCTURE OF EUKARYOTIC INITIATION FACTOR 4E COMPLEXED WITH 7-METHYL GTP | | Descriptor: | 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE, EUKARYOTIC TRANSLATION INITIATION FACTOR 4E | | Authors: | Tomoo, K, Shen, X, Okabe, K, Nozoe, Y, Fukuhara, S, Morino, S, Ishida, T, Taniguchi, T, Hasegawa, H, Terashima, A, Sasaki, M, Katsuya, Y, Kitamura, K, Miyoshi, H, Ishikawa, M, Miura, K. | | Deposit date: | 2001-05-08 | | Release date: | 2002-05-08 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures of 7-methylguanosine 5'-triphosphate (m(7)GTP)- and
P(1)-7-methylguanosine-P(3)-adenosine-5',5'-triphosphate (m(7)GpppA)-bound human full-length eukaryotic
initiation factor 4E: biological importance of the C-terminal flexible region
BIOCHEM.J., 362, 2002
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7GAW
 | | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with MAT-POS-e194df51-1 (SARS2_MproA-x0862) | | Descriptor: | (4S)-6-chloro-2-[(1-cyanocyclopropyl)methanesulfonyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide, 3C-like proteinase, CHLORIDE ION, ... | | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-11 | | Release date: | 2023-11-08 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.812 Å) | | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
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3N2G
 | | TUBULIN-NSC 613863: RB3 Stathmin-like domain complex | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Barbier, P, Dorleans, A, Devred, F, Sanz, L, Allegro, D, Alfonso, C, Knossow, M, Peyrot, V, Andreu, J.M. | | Deposit date: | 2010-05-18 | | Release date: | 2010-07-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (4 Å) | | Cite: | Stathmin and interfacial microtubule inhibitors recognize a naturally curved conformation of tubulin dimers.
J.Biol.Chem., 285, 2010
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3GCZ
 | | Yokose virus Methyltransferase in complex with AdoMet | | Descriptor: | GLYCEROL, Polyprotein, S-ADENOSYLMETHIONINE, ... | | Authors: | Bollati, M, Milani, M, Mastrangelo, E, Bolognesi, M, Structural Proteomics in Europe (SPINE) | | Deposit date: | 2009-02-23 | | Release date: | 2009-03-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of a methyltransferase from a no-known-vector Flavivirus
Biochem.Biophys.Res.Commun., 382, 2009
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7GC6
 | | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with NIR-THE-c331be7a-6 (Mpro-x10513) | | Descriptor: | 1-[(4R)-4-(3-methylphenyl)-3,4-dihydroisoquinolin-2(1H)-yl]ethan-1-one, 3C-like proteinase, DIMETHYL SULFOXIDE | | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-11 | | Release date: | 2023-11-08 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
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2VRJ
 | | Beta-glucosidase from Thermotoga maritima in complex with N-octyl-5- deoxy-6-oxa-N-(thio)carbamoylcalystegine | | Descriptor: | (1S,2R,3S,4R,5R)-2,3,4-trihydroxy-N-octyl-6-oxa-8-azabicyclo[3.2.1]octane-8-carbothioamide, ACETATE ION, BETA-GLUCOSIDASE A, ... | | Authors: | Aguilar, M, Gloster, T.M, Garcia-Moreno, M.I, Ortiz Mellet, C, Davies, G.J, Llebaria, A, Casas, J, Egido-Gabas, M, Garcia Fernandez, J.M. | | Deposit date: | 2008-04-09 | | Release date: | 2008-10-14 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Molecular Basis for Beta-Glucosidase Inhibition by Ring-Modified Calystegine Analogues.
Chembiochem, 9, 2008
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3QHQ
 | | Structure of CRISPR-associated protein Csn2 | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Sag0897 family CRISPR-associated protein | | Authors: | Ellinger, P, Arslan, Z, Wurm, R, Tschapek, B, Pfeffer, K, Wagner, R, Schmitt, L, Pul, U, Smits, S.H. | | Deposit date: | 2011-01-26 | | Release date: | 2012-02-01 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of CRISPR-associated protein Csn2
To be Published
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1NE4
 | | Crystal Structure of Rp-cAMP Binding R1a Subunit of cAMP-dependent Protein Kinase | | Descriptor: | 6-(6-AMINO-PURIN-9-YL)-2-THIOXO-TETRAHYDRO-2-FURO[3,2-D][1,3,2]DIOXAPHOSPHININE-2,7-DIOL, cAMP-dependent protein kinase type I-alpha regulatory chain | | Authors: | Wu, J, Jones, J.M, Xuong, N.H, Taylor, S.S. | | Deposit date: | 2002-12-10 | | Release date: | 2004-01-13 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structures of RIalpha Subunit of Cyclic Adenosine 5'-Monophosphate (cAMP)-Dependent Protein Kinase Complexed with (R(p))-Adenosine 3',5'-Cyclic Monophosphothioate and (S(p))-Adenosine 3',5'-Cyclic Monophosphothioate, the Phosphothioate Analogues of cAMP.
Biochemistry, 43, 2004
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1CBQ
 | | CRYSTAL STRUCTURE OF CELLULAR RETINOIC-ACID-BINDING PROTEINS I AND II IN COMPLEX WITH ALL-TRANS-RETINOIC ACID AND A SYNTHETIC RETINOID | | Descriptor: | 6-(2,3,4,5,6,7-HEXAHYDRO-2,4,4-TRIMETHYL-1-METYLENEINDEN-2-YL)-3-METHYLHEXA-2,4-DIENOIC ACID, CELLULAR RETINOIC ACID BINDING PROTEIN TYPE II, PHOSPHATE ION | | Authors: | Kleywegt, G.J, Bergfors, T, Jones, T.A. | | Deposit date: | 1994-09-28 | | Release date: | 1995-01-26 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structures of cellular retinoic acid binding proteins I and II in complex with all-trans-retinoic acid and a synthetic retinoid.
Structure, 2, 1994
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4Y3N
 | | Endothiapepsin in complex with fragment 273 | | Descriptor: | 2-[(1S)-2-acetyl-1,2-dihydroisoquinolin-1-yl]-N,N-dimethylacetamide, ACETATE ION, Endothiapepsin, ... | | Authors: | Krimmer, S.G, Heine, A, Klebe, G. | | Deposit date: | 2015-02-10 | | Release date: | 2016-02-17 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Crystallographic Fragment Screening of an Entire Library
To Be Published
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1P01
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7KXD
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1BRY
 | | BRYODIN TYPE I RIP | | Descriptor: | BRYODIN I | | Authors: | Klei, H.E, Chang, C.Y. | | Deposit date: | 1997-02-14 | | Release date: | 1998-03-04 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Molecular, biological, and preliminary structural analysis of recombinant bryodin 1, a ribosome-inactivating protein from the plant Bryonia dioica.
Biochemistry, 36, 1997
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7FTR
 | | Crystal Structure of human cyclic GMP-AMP synthase in complex with (Z)-N-(4-acetylphenyl)-2-cyano-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)prop-2-enamide | | Descriptor: | (2Z)-N-(4-acetylphenyl)-2-cyano-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)prop-2-enamide, ADENOSINE-5'-TRIPHOSPHATE, Cyclic GMP-AMP synthase, ... | | Authors: | Leibrock, L, Benz, J, Groebke-Zbinden, K, Canesso, R, Rudolph, M.G. | | Deposit date: | 2023-02-08 | | Release date: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published
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1BWF
 | | ESCHERICHIA COLI GLYCEROL KINASE MUTANT WITH BOUND ATP ANALOG SHOWING SUBSTANTIAL DOMAIN MOTION | | Descriptor: | GLYCEROL, GLYCEROL KINASE, MAGNESIUM ION, ... | | Authors: | Bystrom, C.E, Pettigrew, D.W, Branchaud, B.P, Remington, S.J. | | Deposit date: | 1998-09-23 | | Release date: | 1999-05-18 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structures of Escherichia coli glycerol kinase variant S58-->W in complex with nonhydrolyzable ATP analogues reveal a putative active conformation of the enzyme as a result of domain motion.
Biochemistry, 38, 1999
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7FTM
 | | Crystal Structure of human cyclic GMP-AMP synthase in complex with 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetic acid | | Descriptor: | Cyclic GMP-AMP synthase, ZINC ION, [2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetic acid | | Authors: | Leibrock, L, Benz, J, Groebke-Zbinden, K, Brunner, M, Rudolph, M.G. | | Deposit date: | 2023-02-08 | | Release date: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.698 Å) | | Cite: | Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published
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1IS6
 | | MES-Liganded Congerin II | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Congerin II | | Authors: | Shirai, T, Matsui, Y, Shionyu-Mitsuyama, C, Yamane, T, Kamiya, H, Ishii, C, Ogawa, T, Muramoto, K. | | Deposit date: | 2001-11-12 | | Release date: | 2002-09-18 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of a conger eel galectin (congerin II) at 1.45 A resolution: Implication for the accelerated evolution of a new ligand-binding site following gene duplication
J.MOL.BIOL., 321, 2002
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2XZJ
 | | THE ASPERGILLUS FUMIGATUS SIALIDASE IS A KDNASE: STRUCTURAL AND MECHANISTIC INSIGHTS | | Descriptor: | 2,6-anhydro-3-deoxy-D-glycero-D-galacto-non-2-enonic acid, EXTRACELLULAR SIALIDASE/NEURAMINIDASE, PUTATIVE, ... | | Authors: | Telford, J.C, Yeung, J.H.F, Kiefel, M.J, Watts, A.G, Hader, S, Chan, J, Bennet, A.J, Moore, M.M, Taylor, G.L. | | Deposit date: | 2010-11-26 | | Release date: | 2011-01-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | The Aspergillus Fumigatus Sialidase is a Kdnase: Structural and Mechanistic Insights.
J.Biol.Chem., 286, 2011
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3WZ6
 | | Endothiapepsin in complex with Gewald reaction-derived inhibitor (5) | | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Kuhnert, M, Steuber, H, Diederich, W.E. | | Deposit date: | 2014-09-19 | | Release date: | 2015-08-05 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.404 Å) | | Cite: | Tracing binding modes in hit-to-lead optimization: chameleon-like poses of aspartic protease inhibitors
Angew.Chem.Int.Ed.Engl., 54, 2015
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