4KML
 
 | | Probing the N-terminal beta-sheet conversion in the crystal structure of the full-length human prion protein bound to a Nanobody | | Descriptor: | Major prion protein, Nanobody | | Authors: | Abskharon, R.N.N, Giachin, G, Wohlkonig, A, Soror, S.H, Pardon, E, Legname, G, Steyaert, J. | | Deposit date: | 2013-05-08 | | Release date: | 2014-02-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Probing the N-Terminal beta-Sheet Conversion in the Crystal Structure of the Human Prion Protein Bound to a Nanobody.
J.Am.Chem.Soc., 136, 2014
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7JUO
 | | CBP bromodomain complexed with YF2-23 | | Descriptor: | CREB-binding protein, N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(1-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indol-4-yl}ethanesulfonamide | | Authors: | Ratia, K.M, Xiong, R, Principe, D, Li, Y, Huang, F, Rana, A, Thatcher, G. | | Deposit date: | 2020-08-20 | | Release date: | 2021-09-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | XP-524 is a dual-BET/EP300 inhibitor that represses oncogenic KRAS and potentiates immune checkpoint inhibition in pancreatic cancer.
Proc.Natl.Acad.Sci.USA, 119, 2022
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8U3S
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7KD3
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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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1WRM
 | | Crystal structure of JSP-1 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, dual specificity phosphatase 22 | | Authors: | Yokota, T, Kashima, A, Kato, R, Sugio, S. | | Deposit date: | 2004-10-22 | | Release date: | 2005-10-22 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of human dual specificity phosphatase, JNK stimulatory phosphatase-1, at 1.5 A resolution
Proteins, 66, 2006
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1WZ2
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2WBB
 | | FRUCTOSE-1,6-BISPHOSPHATASE(D-FRUCTOSE-1,6-BISPHOSPHATE-1- PHOSPHOHYDROLASE) (E.C.3.1.3.11) COMPLEXED WITH AN AMP SITE INHIBITOR | | Descriptor: | FRUCTOSE-1,6-BISPHOSPHATASE 1, N-{[(2Z)-5-BROMO-1,3-THIAZOL-2(3H)-YLIDENE]CARBAMOYL}-4-METHYLBENZENESULFONAMIDE | | Authors: | Ruf, A, Joseph, C, Benz, J, Fol, B, Tetaz, T, Kitas, E, Mohr, P, Kuhn, B, Wessel, H.P, Hebeisen, P, Haap, W, Huber, W, Alvarez Sanchez, R, Paehler, A, Bernadeau, A, Gubler, M, Schott, B, Tozzo, E. | | Deposit date: | 2009-02-26 | | Release date: | 2009-12-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Sulfonylureido Thiazoles as Fructose-1,6-Bisphosphatase Inhibitors for the Treatment of Type-2 Diabetes.
Bioorg.Med.Chem.Lett., 20, 2010
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1FG9
 | | 3:1 COMPLEX OF INTERFERON-GAMMA RECEPTOR WITH INTERFERON-GAMMA DIMER | | Descriptor: | INTERFERON GAMMA, INTERFERON-GAMMA RECEPTOR ALPHA CHAIN | | Authors: | Thiel, D.J, le Du, M.-H, Walter, R.L, D'Arcy, A, Chene, C, Fountoulakis, M, Garotta, G, Winkler, F.K, Ealick, S.E. | | Deposit date: | 2000-07-28 | | Release date: | 2000-08-11 | | Last modified: | 2022-12-21 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Observation of an unexpected third receptor molecule in the crystal structure of human interferon-gamma receptor complex.
Structure Fold.Des., 8, 2000
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7JR5
 | | Real Time Reaction Intermediates in Stigmatella Bacteriophytochrome P2 | | Descriptor: | 3-[2-[[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-5-[[(3~{S})-4-ethyl-3-methyl-2-oxidanylidene-1,3-dihydropyrrol-5-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, BENZAMIDINE, Photoreceptor-histidine kinase BphP | | Authors: | Schmidt, M. | | Deposit date: | 2020-08-11 | | Release date: | 2021-10-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | High-resolution crystal structures of transient intermediates in the phytochrome photocycle.
Structure, 29, 2021
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2WH0
 | | Recognition of an intrachain tandem 14-3-3 binding site within protein kinase C epsilon | | Descriptor: | 14-3-3 PROTEIN ZETA/DELTA, CALCIUM ION, PROTEIN KINASE C EPSILON TYPE, ... | | Authors: | Kostelecky, B, Saurin, A.T, Purkiss, A, Parker, P.J, McDonald, N.Q. | | Deposit date: | 2009-04-28 | | Release date: | 2009-08-18 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Recognition of an Intra-Chain Tandem 14-3-3 Binding Site within Pkc Epsilon.
Embo Rep., 10, 2009
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4IQ6
 | | Gsk-3beta with inhibitor 6-chloro-N-cyclohexyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine | | Descriptor: | 6-chloro-N-cyclohexyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine, Glycogen synthase kinase-3 beta | | Authors: | Tong, Y, Stewart, K.D, Florjancic, A.S, Harlan, J.E, Merta, P.J, Przytulinska, M, Soni, N, Swinger, K.S, Zhu, H, Johnson, E.F, Shoemaker, A.R, Penning, T.D. | | Deposit date: | 2013-01-10 | | Release date: | 2013-04-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.12 Å) | | Cite: | Azaindole-Based Inhibitors of Cdc7 Kinase: Impact of the Pre-DFG Residue, Val 195.
ACS Med Chem Lett, 4, 2013
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2X0B
 | | Crystal structure of human angiotensinogen complexed with renin | | Descriptor: | ANGIOTENSINOGEN, RENIN | | Authors: | Zhou, A, Wei, Z, Yan, Y, Carrell, R.W, Read, R.J. | | Deposit date: | 2009-12-08 | | Release date: | 2010-10-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (4.33 Å) | | Cite: | A Redox Switch in Angiotensinogen Modulates Angiotensin Release.
Nature, 468, 2010
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4AG5
 | | Structure of VirB4 of Thermoanaerobacter pseudethanolicus | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Wallden, K, Williams, R, Yan, J, Lian, P.W, Wang, L, Thalassinos, K, Orlova, E.V, Waksman, G. | | Deposit date: | 2012-01-24 | | Release date: | 2012-07-04 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structure of the Virb4 ATPase, Alone and Bound to the Core Complex of a Type Iv Secretion System.
Proc.Natl.Acad.Sci.USA, 109, 2012
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1WVD
 | | HIV-1 Dis(Mal) Duplex CoCl2-Soaked | | Descriptor: | 5'-R(*CP*UP*UP*GP*CP*UP*GP*AP*GP*GP*UP*GP*CP*AP*CP*AP*CP*AP*GP*CP*AP*AP*G)-3', COBALT (II) ION | | Authors: | Ennifar, E, Walter, P, Dumas, P. | | Deposit date: | 2004-12-15 | | Release date: | 2004-12-21 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.93 Å) | | Cite: | A crystallographic study of the binding of 13 metal ions to two related RNA duplexes
Nucleic Acids Res., 31, 2003
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6BG7
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8V8B
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1WBU
 | | Fragment based lead discovery using crystallography | | Descriptor: | 5-AMINO-1H-PYRIMIDINE-2,4-DIONE, RIBONUCLEASE | | Authors: | Cleasby, A, Hartshorn, M.J, Murray, C.W, Jhoti, H, Tickle, I.J. | | Deposit date: | 2004-11-05 | | Release date: | 2005-01-27 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Fragment-Based Lead Discovery Using X-Ray Crystallography
J.Med.Chem., 48, 2005
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1WBK
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1J1B
 | | Binary complex structure of human tau protein kinase I with AMPPNP | | Descriptor: | Glycogen synthase kinase-3 beta, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Aoki, M, Yokota, T, Sugiura, I, Sasaki, C, Hasegawa, T, Okumura, C, Kohno, T, Sugio, S, Matsuzaki, T. | | Deposit date: | 2002-12-03 | | Release date: | 2003-12-03 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural insight into nucleotide recognition in tau-protein kinase I/glycogen synthase kinase 3 beta.
Acta Crystallogr.,Sect.D, 60, 2004
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2WXZ
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1W8Y
 | | Crystal structure of the nitrocefin acyl-DD-peptidase from Actinomadura R39. | | Descriptor: | (2R)-2-{(1R)-2-OXO-1-[(2-THIENYLACETYL)AMINO]ETHYL}-5,6-DIHYDRO-2H-1,3-THIAZINE-4-CARBOXYLIC ACID, D-alanyl-D-alanine carboxypeptidase, MAGNESIUM ION, ... | | Authors: | Sauvage, E, Herman, R, Petrella, S, Duez, C, Frere, J.M, Charlier, P. | | Deposit date: | 2004-10-01 | | Release date: | 2005-06-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structure of the Actinomadura R39 Dd- Peptidase Reveals New Domains in Penicillin- Binding Proteins.
J.Biol.Chem., 280, 2005
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4DUM
 | | Co-crystal structure of eIF4E with inhibitor | | Descriptor: | (4-{7-[2-(4-chlorophenoxy)ethyl]-2-(methylamino)-6-oxo-6,7-dihydro-1H-purin-8-yl}phenyl)phosphonic acid, 1,2-ETHANEDIOL, Eukaryotic translation initiation factor 4E | | Authors: | Min, X, Johnstone, S, Walker, N, Wang, Z. | | Deposit date: | 2012-02-22 | | Release date: | 2012-04-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Structure-Guided Design, Synthesis, and Evaluation of Guanine-Derived Inhibitors of the eIF4E mRNA-Cap Interaction.
J.Med.Chem., 55, 2012
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7FTG
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7FTF
 | | Crystal Structure of apo human cyclic GMP-AMP synthase | | Descriptor: | 1,2-ETHANEDIOL, Cyclic GMP-AMP synthase, ZINC ION | | Authors: | Leibrock, L, Benz, J, Groebke-Zbinden, K, Rudolph, M.G. | | Deposit date: | 2023-02-08 | | Release date: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.508 Å) | | Cite: | Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published
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