6W5B
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4LP9
| Endothiapepsin complexed with Phe-reduced-Tyr peptide. | Descriptor: | Endothiapepsin, GLYCEROL, SULFATE ION, ... | Authors: | Guo, J, Cooper, J.B, Wood, S.P. | Deposit date: | 2013-07-15 | Release date: | 2014-01-15 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | The structure of endothiapepsin complexed with a Phe-Tyr reduced-bond inhibitor at 1.35 angstrom resolution. Acta Crystallogr F Struct Biol Commun, 70, 2014
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6PCW
| Human PIM1 bound to benzothiophene inhibitor 213 | Descriptor: | 4-[5-(cyclopropylcarbamoyl)thiophen-2-yl]-1-benzothiophene-2-carboxamide, GLYCEROL, Peptide, ... | Authors: | Godoi, P.H.C, Santiago, A.S, Fala, A.M, Ramos, P.Z, Sriranganadane, D, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC) | Deposit date: | 2019-06-18 | Release date: | 2019-07-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | PIM1 bound to benzothiophene inhibitor To Be Published
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6VRF
| ADP bound TTBK2 kinase domain | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | Authors: | Chodaparambil, J.V, Marcotte, D.J. | Deposit date: | 2020-02-07 | Release date: | 2020-06-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Mechanisms of Regulation and Diverse Activities of Tau-Tubulin Kinase (TTBK) Isoforms. Cell Mol Neurobiol, 41, 2021
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2KLJ
| Solution Structure of gammaD-Crystallin with RDC and SAXS | Descriptor: | Gamma-crystallin D | Authors: | Wang, J, Zuo, X, Yu, P, Byeon, I, Jung, J, Gronenborn, A.M, Wang, Y. | Deposit date: | 2009-07-06 | Release date: | 2009-10-06 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR, SOLUTION SCATTERING | Cite: | Determination of multicomponent protein structures in solution using global orientation and shape restraints. J.Am.Chem.Soc., 131, 2009
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6P0M
| Crystal structure of GDP-bound human RalA in a covalent complex with aryl sulfonyl fluoride compounds. | Descriptor: | 4-[(3-chloropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid, CALCIUM ION, CHLORIDE ION, ... | Authors: | Bum-Erdene, K, Gonzalez-Gutierrez, G, Liu, D, Ghozayel, M.K, Xu, D, Meroueh, S.O. | Deposit date: | 2019-05-17 | Release date: | 2020-03-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Small-molecule covalent bond formation at tyrosine creates a binding site and inhibits activation of Ral GTPases. Proc.Natl.Acad.Sci.USA, 117, 2020
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4LYB
| CdS within a lysoyzme single crystal | Descriptor: | CADMIUM ION, Lysozyme C | Authors: | Wei, H, House, S, Wu, J, Zhang, J, Wang, Z, He, Y, Gao, Y.-G, Robinson, H, Li, W, Zuo, J.-M, Robertson, I.M, Lu, Y. | Deposit date: | 2013-07-30 | Release date: | 2015-02-25 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Enhanced and tunable fluorescent quantum dots within a single crystal of protein TO BE PUBLISHED
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6VLU
| Factor XIa in complex with compound 7 | Descriptor: | CITRIC ACID, Coagulation factor XIa light chain, N-cyclohexyl-D-leucyl-N-[(1-aminoisoquinolin-6-yl)methyl]-4,4-difluoro-L-prolinamide | Authors: | Lesburg, C.A, Fradera, X. | Deposit date: | 2020-01-27 | Release date: | 2020-05-06 | Last modified: | 2020-10-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Augmenting Hit Identification by Virtual Screening Techniques in Small Molecule Drug Discovery. J.Chem.Inf.Model., 60, 2020
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4LYF
| Crystal Structure of small molecule vinylsulfonamide 8 covalently bound to K-Ras G12C | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, N-{1-[N-(4,5-dichloro-2-hydroxyphenyl)glycyl]piperidin-4-yl}ethanesulfonamide | Authors: | Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M. | Deposit date: | 2013-07-31 | Release date: | 2013-11-27 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.568 Å) | Cite: | K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions. Nature, 503, 2013
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4LYZ
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2K7D
| NMR Structure of Ca2+-bound CaBP1 C-domain | Descriptor: | CALCIUM ION, Calcium-binding protein 1 | Authors: | Ames, J. | Deposit date: | 2008-08-08 | Release date: | 2008-11-25 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | NMR Structure of Ca2+-bound CaBP1 C-domain To be Published
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4LYM
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4LYT
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4M2Q
| Crystal structure of non-myristoylated recoverin with Cysteine-39 oxidized to sulfenic acid | Descriptor: | CALCIUM ION, Recoverin | Authors: | Prem Kumar, R, Chakrabarti, K, Kern, D, Oprian, D.D. | Deposit date: | 2013-08-05 | Release date: | 2013-11-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A Highly Conserved Cysteine of Neuronal Calcium-sensing Proteins Controls Cooperative Binding of Ca2+ to Recoverin. J.Biol.Chem., 288, 2013
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6P4Z
| Structure of gadolinium-caged cobalt (III) insulin hexamer | Descriptor: | CHLORIDE ION, COBALT (II) ION, GADOLINIUM ATOM, ... | Authors: | Tran, T.H, Taylor, S.K, Stojanovic, M.N, Tong, L. | Deposit date: | 2019-05-29 | Release date: | 2019-06-12 | Last modified: | 2019-12-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Insulin Hexamer-Caged Gadolinium Ion as MRI Contrast-o-phore ChemBioChem, 24, 2018
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6P0J
| Crystal structure of GDP-bound human RalA | Descriptor: | CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, Ras-related protein Ral-A | Authors: | Bum-Erdene, K, Gonzalez-Gutierrez, G, Liu, D, Meroueh, S.O. | Deposit date: | 2019-05-17 | Release date: | 2020-03-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Small-molecule covalent bond formation at tyrosine creates a binding site and inhibits activation of Ral GTPases. Proc.Natl.Acad.Sci.USA, 117, 2020
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2K8G
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4M4H
| Radiation damage study of Cu T6-insulin - 0.06 MGy | Descriptor: | COPPER (II) ION, Insulin | Authors: | Frankaer, C.G, Harris, P, Stahl, K. | Deposit date: | 2013-08-07 | Release date: | 2014-01-15 | Last modified: | 2018-03-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Towards accurate structural characterization of metal centres in protein crystals: the structures of Ni and Cu T6 bovine insulin derivatives. Acta Crystallogr.,Sect.D, 70, 2014
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4M4O
| Crystal structure of the aptamer minE-lysozyme complex | Descriptor: | Lysozyme C, MAGNESIUM ION, RNA (59-MER), ... | Authors: | Malashkevich, V.N, Padlan, F.C, Toro, R, Girvin, M, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-08-07 | Release date: | 2013-12-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the aptamer minE-lysozyme complex to be published
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4M1W
| Crystal Structure of small molecule vinylsulfonamide covalently bound to K-Ras G12C | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, K-Ras GTPase, MAGNESIUM ION, ... | Authors: | Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M. | Deposit date: | 2013-08-04 | Release date: | 2013-11-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions. Nature, 503, 2013
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6VVU
| Anti-Tryptase fab E104.v1 bound to tryptase | Descriptor: | CALCIUM ION, Fab E104.v1 heavy chain, Fab E104.v1 light chain, ... | Authors: | Ultsch, M, Koerber, J.T. | Deposit date: | 2020-02-18 | Release date: | 2020-12-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Bivalent antibody pliers inhibit beta-tryptase by an allosteric mechanism dependent on the IgG hinge. Nat Commun, 11, 2020
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4M2O
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2KJJ
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6PBB
| Crystal structure of Hen Egg White Lysozyme in complex with I3C | Descriptor: | 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, CHLORIDE ION, Lysozyme | Authors: | Truong, J.Q. | Deposit date: | 2019-06-13 | Release date: | 2019-07-10 | Last modified: | 2020-01-01 | Method: | X-RAY DIFFRACTION (1.89151084 Å) | Cite: | Combining random microseed matrix screening and the magic triangle for the efficient structure solution of a potential lysin from bacteriophage P68. Acta Crystallogr D Struct Biol, 75, 2019
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4M5T
| Disulfide trapped human alphaB crystallin core domain in complex with C-terminal peptide | Descriptor: | Alpha-crystallin B chain, SULFATE ION | Authors: | Laganowsky, A, Cascio, D, Hochberg, G, Sawaya, M.R, Benesch, J.L.P, Robinson, C.V, Eisenberg, D. | Deposit date: | 2013-08-08 | Release date: | 2014-04-09 | Last modified: | 2019-07-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The structured core domain of alpha B-crystallin can prevent amyloid fibrillation and associated toxicity. Proc.Natl.Acad.Sci.USA, 111, 2014
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