5MOQ
 
 | | Joint X-ray/neutron structure of cationic trypsin in complex with benzamidine | | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | | Authors: | Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G. | | Deposit date: | 2016-12-14 | | Release date: | 2018-02-28 | | Last modified: | 2024-05-01 | | Method: | NEUTRON DIFFRACTION (0.93 Å), X-RAY DIFFRACTION | | Cite: | Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes.
Nat Commun, 9, 2018
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2NPT
 | | Crystal Structure of the complex of human mitogen activated protein kinase kinase 5 phox domain (MAP2K5-phox) with human mitogen activated protein kinase kinase kinase 2 phox domain (MAP3K2-phox) | | Descriptor: | Dual specificity mitogen-activated protein kinase kinase 5, Mitogen-activated protein kinase kinase kinase 2 | | Authors: | Filippakopoulos, P, Debreczeni, J, Papagrigoriou, V, Turnbull, A, Edwards, A, Arrowsmith, C, Sundstrom, M, von Delft, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-10-30 | | Release date: | 2006-11-28 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal Structure of the complex of human mitogen activated protein kinase kinase 5 phox domain (MAP2K5-phox) with human mitogen activated protein kinase kinase kinase 2 phox domain (MAP3K2-phox)
To be Published
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5MOV
 | | Crystal structure of Ck2alpha with ZT0633 bound | | Descriptor: | 4'-HYDROXYCINNAMIC ACID, Casein kinase II subunit alpha | | Authors: | Brear, P, De Fusco, C, Georgiou, K, Iegre, J, Sore, H, Hyvonen, M, Spring, D. | | Deposit date: | 2016-12-14 | | Release date: | 2017-05-24 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066.
Bioorg. Med. Chem., 25, 2017
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2VF7
 | | Crystal structure of UvrA2 from Deinococcus radiodurans | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, EXCINUCLEASE ABC, SUBUNIT A., ... | | Authors: | Timmins, J, Gordon, E, Caria, S, Leonard, G, Kuo, M.S, Monchois, V, McSweeney, S. | | Deposit date: | 2007-10-31 | | Release date: | 2008-12-16 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and mutational analyses of Deinococcus radiodurans UvrA2 provide insight into DNA binding and damage recognition by UvrAs.
Structure, 17, 2009
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5M5U
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2V8E
 | | Crystal structure of Human Complement Factor H, SCR domains 6-8 (H402 risk variant), in complex with ligand. | | Descriptor: | 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, CHLORIDE ION, COMPLEMENT FACTOR H, ... | | Authors: | Prosser, B.E, Johnson, S, Roversi, P, Herbert, A.P, Blaum, B.S, Tyrrell, J, Jowitt, T.A, Clark, S.J, Tarelli, E, Uhrin, D, Barlow, P.N, Sim, R.B, Day, A.J, Lea, S.M. | | Deposit date: | 2007-08-07 | | Release date: | 2007-10-02 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural Basis for Complement Factor H Linked Age-Related Macular Degeneration.
J.Exp.Med., 204, 2007
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1K95
 | | Crystal structure of des(1-52)grancalcin with bound calcium | | Descriptor: | GRANCALCIN | | Authors: | Jia, J, Borregaard, N, Lollike, K, Cygler, M. | | Deposit date: | 2001-10-26 | | Release date: | 2001-12-07 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of Ca(2+)-loaded human grancalcin.
Acta Crystallogr.,Sect.D, 57, 2001
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6I79
 | | SEPIAPTERIN REDUCTASE IN COMPLEX WITH COMPOUND 4 | | Descriptor: | 6-[(4-~{tert}-butyl-1,3-thiazol-2-yl)methyl]-4,6-diazaspiro[2.4]heptane-5,7-dione, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Sepiapterin reductase | | Authors: | Alen, J, Schade, M, Wagener, M, Blaesse, M. | | Deposit date: | 2018-11-16 | | Release date: | 2019-07-10 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Fragment-Based Discovery of Novel Potent Sepiapterin Reductase Inhibitors.
J.Med.Chem., 62, 2019
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5M87
 | | Crystal structure of Eremococcus coleocola manganese transporter | | Descriptor: | DECYL-BETA-D-MALTOPYRANOSIDE, Divalent metal cation transporter MntH | | Authors: | Manatschal, C, Ehrnstorfer, I.A, Arnold, F.M, Laederach, J, Dutzler, R. | | Deposit date: | 2016-10-28 | | Release date: | 2017-01-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structural and mechanistic basis of proton-coupled metal ion transport in the SLC11/NRAMP family.
Nat Commun, 8, 2017
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6IOC
 | | The structure of the H109Q mutant of UdgX in complex with uracil | | Descriptor: | IRON/SULFUR CLUSTER, Phage SPO1 DNA polymerase-related protein, URACIL | | Authors: | Xie, W, Tu, J. | | Deposit date: | 2018-10-29 | | Release date: | 2019-07-24 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.624 Å) | | Cite: | Suicide inactivation of the uracil DNA glycosylase UdgX by covalent complex formation.
Nat.Chem.Biol., 15, 2019
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2VAC
 | | Structure of N-terminal Actin Depolymerizing Factor homology (ADF-H) domain of human twinfilin-2 | | Descriptor: | 1,2-ETHANEDIOL, TWINFILIN-2, ZINC ION | | Authors: | Elkins, J.M, Pike, A.C.W, King, O, Salah, E, Savitsky, P, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C.H, Sundstrom, M, Knapp, S. | | Deposit date: | 2007-08-30 | | Release date: | 2007-10-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal Structure of N-Terminal Actin Depolymerizing Factor Homology (Adf-H) Domain of Human Twinfilin-2
To be Published
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6IRF
 | | Structure of the human GluN1/GluN2A NMDA receptor in the glutamate/glycine-bound state at pH 6.3, Class I | | Descriptor: | Glutamate receptor ionotropic, NMDA 1, NMDA 2A | | Authors: | Zhang, J, Chang, S, Zhang, X, Zhu, S. | | Deposit date: | 2018-11-12 | | Release date: | 2019-01-16 | | Last modified: | 2019-06-05 | | Method: | ELECTRON MICROSCOPY (5.1 Å) | | Cite: | Structural Basis of the Proton Sensitivity of Human GluN1-GluN2A NMDA Receptors
Cell Rep, 25, 2018
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2VCX
 | | Complex structure of prostaglandin D2 synthase at 2.1A. | | Descriptor: | GLUTATHIONE, GLUTATHIONE-REQUIRING PROSTAGLANDIN D SYNTHASE, MAGNESIUM ION, ... | | Authors: | Hohwy, M, Spadola, L, Lundquist, B, von Wachenfeldt, K, Persdotter, S, Hawtin, P, Dahmen, J, Groth-Clausen, I, Folmer, R.H.A, Edman, K. | | Deposit date: | 2007-09-27 | | Release date: | 2008-04-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Novel Prostaglandin D Synthase Inhibitors Generated by Fragment-Based Drug Design.
J.Med.Chem., 51, 2008
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6IUE
 | | DNA helical wire containing Hg(II) | | Descriptor: | DNA (5'-D(*TP*TP*TP*GP*C)-3'), MERCURY (II) ION | | Authors: | Ono, A, Kanazawa, H, Ito, H, Goto, M, Nakamura, K, Saneyoshi, H, Kondo, J. | | Deposit date: | 2018-11-28 | | Release date: | 2019-10-16 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.901 Å) | | Cite: | A Novel DNA Helical Wire Containing HgII-Mediated T:T and T:G Pairs.
Angew.Chem.Int.Ed.Engl., 58, 2019
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5O4A
 | | Human FGF in complex with a covalent inhibitor | | Descriptor: | Fibroblast growth factor receptor 1, GLYCEROL, SULFATE ION, ... | | Authors: | Debreczeni, J, Breed, J, Mukherjee, H, Aquila, B, Kaiser, C, Tentarelli, S, Whitty, A, Grimster, N. | | Deposit date: | 2017-05-26 | | Release date: | 2018-02-07 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | A study of the reactivity of S(VI)-F containing warheads with nucleophilic amino-acid side chains under physiological conditions.
Org. Biomol. Chem., 15, 2017
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2VJZ
 | | Crystal structure form ultalente insulin microcrystals | | Descriptor: | CHLORIDE ION, INSULIN A CHAIN, INSULIN B CHAIN, ... | | Authors: | Wagner, A, Diez, J, Schulze-Briese, C, Schluckebier, G. | | Deposit date: | 2007-12-14 | | Release date: | 2008-09-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of Ultralente-A Microcrystalline Insulin Suspension.
Proteins, 74, 2009
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2VKP
 | | Crystal structure of BTB domain from BTBD6 | | Descriptor: | 1,2-ETHANEDIOL, BTB/POZ DOMAIN-CONTAINING PROTEIN 6, POTASSIUM ION | | Authors: | Cooper, C.D.O, Pike, A.C.W, Salah, E, Filippakopoulos, P, Bunkoczi, G, Elkins, J.M, von Delft, F, Gileadi, O, Edwards, A, Weigelt, J, Arrowsmith, C.H, Knapp, S. | | Deposit date: | 2007-12-21 | | Release date: | 2008-02-12 | | Last modified: | 2017-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structure of Btb Domain from Btbd6
To be Published
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5M32
 | | Human 26S proteasome in complex with Oprozomib | | Descriptor: | 26S protease regulatory subunit 10B, 26S protease regulatory subunit 4, 26S protease regulatory subunit 6A, ... | | Authors: | Haselbach, D, Schrader, J, Lambrecht, F, Henneberg, F, Chari, A, Stark, H. | | Deposit date: | 2016-10-14 | | Release date: | 2017-07-05 | | Last modified: | 2019-12-11 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Long-range allosteric regulation of the human 26S proteasome by 20S proteasome-targeting cancer drugs.
Nat Commun, 8, 2017
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5LC8
 | | Crystal Structure of specific mutant from Pseudomonas aeruginosa Lipoxygenase at 1.8A resolution | | Descriptor: | (2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradec-5-enoyloxy)propyl (11Z)-octadec-11-enoate, Arachidonate 15-lipoxygenase, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Kalms, J, Banthiya, S, Galemou Yoga, E, Kuhn, H, Scheerer, P. | | Deposit date: | 2016-06-20 | | Release date: | 2017-01-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The crystal structure of Pseudomonas aeruginosa lipoxygenase Ala420Gly mutant explains the improved oxygen affinity and the altered reaction specificity.
Biochim. Biophys. Acta, 1862, 2017
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6IOA
 | | The structure of UdgX in complex with uracil | | Descriptor: | IRON/SULFUR CLUSTER, Phage SPO1 DNA polymerase-related protein, SULFATE ION, ... | | Authors: | Xie, W, Tu, J. | | Deposit date: | 2018-10-29 | | Release date: | 2019-07-24 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Suicide inactivation of the uracil DNA glycosylase UdgX by covalent complex formation.
Nat.Chem.Biol., 15, 2019
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5LF3
 | | Human 20S proteasome complex with Bortezomib at 2.1 Angstrom | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE, ... | | Authors: | Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A. | | Deposit date: | 2016-06-30 | | Release date: | 2016-08-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design.
Science, 353, 2016
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2VA0
 | | Differential regulation of the xylan degrading apparatus of Cellvibrio japonicus by a novel two component system | | Descriptor: | ABFS ARABINOFURANOSIDASE TWO COMPONENT SYSTEM SENSOR PROTEIN, CHLORIDE ION, PHOSPHATE ION | | Authors: | Murray, J.W, Emami, K, Topakas, E, Nagy, T, Henshaw, J, Jackson, K.A, Nelson, K.E, Mongodin, E.F, Lewis, R.J, Gilbert, H.J. | | Deposit date: | 2007-08-28 | | Release date: | 2008-10-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.602 Å) | | Cite: | Regulation of the Xylan-Degrading Apparatus of Cellvibrio Japonicus by a Novel Two-Component System.
J.Biol.Chem., 284, 2009
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1FKA
 | | STRUCTURE OF FUNCTIONALLY ACTIVATED SMALL RIBOSOMAL SUBUNIT AT 3.3 A RESOLUTION | | Descriptor: | 16S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, ... | | Authors: | Schluenzen, F, Tocilj, A, Zarivach, R, Harms, J, Gluehmann, M, Janell, D, Bashan, A, Bartels, H, Agmon, I, Franceschi, F, Yonath, A. | | Deposit date: | 2000-08-09 | | Release date: | 2000-09-04 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structure of functionally activated small ribosomal subunit at 3.3 angstroms resolution.
Cell(Cambridge,Mass.), 102, 2000
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5LGS
 | | Crystal structure of mouse CARM1 in complex with ligand P2C3u | | Descriptor: | (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[(~{E})-prop-1-enyl]oxolane-3,4-diol, 1,2-DIMETHOXYETHANE, 1,2-ETHANEDIOL, ... | | Authors: | Marechal, N, Troffer-Charlier, N, Cura, V, Bonnefond, L, Cavarelli, J. | | Deposit date: | 2016-07-08 | | Release date: | 2017-03-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Transition state mimics are valuable mechanistic probes for structural studies with the arginine methyltransferase CARM1.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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2V1N
 | | SOLUTION STRUCTURE OF THE REGION 51-160 OF HUMAN KIN17 REVEALS A WINGED HELIX FOLD | | Descriptor: | PROTEIN KIN HOMOLOG | | Authors: | Carlier, L, Le Maire, A, Gondry, M, Guilhaudis, L, Milazzo, I, Davoust, D, Couprie, J, Gilquin, B, Zinn-Justin, S. | | Deposit date: | 2007-05-27 | | Release date: | 2007-11-27 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of the Region 51-160 of Human Kin17 Reveals an Atypical Winged Helix Domain
Protein Sci., 16, 2007
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