8I9A
 
 | | Structure of EP54-C3aR-Gq complex | | Descriptor: | Antibody fragment - ScFv16, C3a anaphylatoxin chemotactic receptor, EP54 ligand, ... | | Authors: | Yadav, M.K, Yadav, R, Maharana, J, Sarma, P, Banerjee, R, Shukla, A.K, Gati, C. | | Deposit date: | 2023-02-06 | | Release date: | 2023-10-18 | | Last modified: | 2023-11-08 | | Method: | ELECTRON MICROSCOPY (3.57 Å) | | Cite: | Molecular basis of anaphylatoxin binding, activation, and signaling bias at complement receptors.
Cell, 186, 2023
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1KU6
 | | Fasciculin 2-Mouse Acetylcholinesterase Complex | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ... | | Authors: | Bourne, Y, Burmeister, W, Taylor, P, Marchot, P. | | Deposit date: | 2002-01-21 | | Release date: | 2003-12-23 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural insights into ligand interactions at the acetylcholinesterase peripheral anionic site.
EMBO J., 22, 2003
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1A1Z
 | | FADD DEATH EFFECTOR DOMAIN, F25G MUTANT, NMR MINIMIZED AVERAGE STRUCTURE | | Descriptor: | FADD PROTEIN | | Authors: | Eberstadt, M, Huang, B, Chen, Z, Meadows, R.P, Ng, C, Fesik, S.W. | | Deposit date: | 1997-12-18 | | Release date: | 1998-12-30 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | NMR structure and mutagenesis of the FADD (Mort1) death-effector domain.
Nature, 392, 1998
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2WS7
 | | Semi-synthetic analogue of human insulin ProB26-DTI | | Descriptor: | CHLORIDE ION, INSULIN A CHAIN, INSULIN B CHAIN, ... | | Authors: | Brzozowski, A.M, Jiracek, J, Zakova, L, Antolikova, E, Watson, C.J, Turkenburg, J.P, Dodson, G.G. | | Deposit date: | 2009-09-03 | | Release date: | 2010-02-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Implications for the Active Form of Human Insulin Based on the Structural Convergence of Highly Active Hormone Analogues.
Proc.Natl.Acad.Sci.USA, 107, 2010
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1P5O
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1ABZ
 | | ALPHA-T-ALPHA, A DE NOVO DESIGNED PEPTIDE, NMR, 23 STRUCTURES | | Descriptor: | ALPHA-T-ALPHA | | Authors: | Fezoui, Y, Connolly, P.J, Osterhout, J.J. | | Deposit date: | 1997-01-31 | | Release date: | 1998-02-04 | | Last modified: | 2022-02-16 | | Method: | SOLUTION NMR | | Cite: | Solution structure of alpha t alpha, a helical hairpin peptide of de novo design.
Protein Sci., 6, 1997
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4ETO
 | | Structure of S100A4 in complex with non-muscle myosin-IIA peptide | | Descriptor: | CALCIUM ION, Myosin-9, Protein S100-A4 | | Authors: | Ramagopal, U.A, Dulyaninova, N.G, Kumar, P.R, Almo, S.C, Bresnick, A.R, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN) | | Deposit date: | 2012-04-24 | | Release date: | 2012-07-11 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Structure of S100A4 with bound peptide P
To be Published
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1AH9
 | | THE STRUCTURE OF THE TRANSLATIONAL INITIATION FACTOR IF1 FROM ESCHERICHIA COLI, NMR, 19 STRUCTURES | | Descriptor: | INITIATION FACTOR 1 | | Authors: | Sette, M, Van Tilborg, P, Spurio, R, Kaptein, R, Paci, M, Gualerzi, C.O, Boelens, R. | | Deposit date: | 1997-04-16 | | Release date: | 1997-07-07 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | The structure of the translational initiation factor IF1 from E.coli contains an oligomer-binding motif.
EMBO J., 16, 1997
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1ZPC
 | | Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with 2-[2-(3-Chloro-phenyl)-2-hydroxy-acetylamino]-N-[4-guanidino-1-(thiazole-2-carbonyl)-butyl]-3-methyl-butyramide | | Descriptor: | 2-[2-(3-CHLORO-PHENYL)-2-HYDROXY-ACETYLAMINO]-N-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYL]-3-METHYL-BUTYRAMIDE, Coagulation factor XI, SULFATE ION | | Authors: | Deng, H, Bannister, T.D, Jin, L, Nagafuji, P, Celatka, C.A, Lin, J, Lazarova, T.I, Rynkiewicz, M.J, Quinn, J, Bibbins, F, Pandey, P, Gorga, J, Babine, R.E, Meyers, H.V, Abdel-Meguid, S.S, Strickler, J.E. | | Deposit date: | 2005-05-16 | | Release date: | 2006-04-18 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Synthesis, SAR exploration, and X-ray crystal structures of factor XIa inhibitors containing an alpha-ketothiazole arginine
Bioorg.Med.Chem.Lett., 16, 2006
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8JRB
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3N3X
 | | Crystal Structure of the complex formed between type I ribosome inactivating protein and hexapeptide Ser-Asp-Asp-Asp-Met-Gly at 1.7 A resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GUANINE, Ribosome inactivating protein, ... | | Authors: | Kushwaha, G.S, Vikram, G, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2010-05-20 | | Release date: | 2010-06-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal Structure of the complex formed between type I ribosome inactivating protein and hexapeptide Ser-Asp-Asp-Asp-Met-Gly at 1.7 A resolution
To be Published
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5MO5
 | | Crystal Structure of CK2alpha with N-(3-(((2-chloro-[1,1'-biphenyl]-4-yl)methyl)amino)propyl)methanesulfonamide bound | | Descriptor: | ACETATE ION, Casein kinase II subunit alpha, PHOSPHATE ION, ... | | Authors: | Brear, P, De Fusco, C, Georgiou, K, Iegre, J, Sore, H, Hyvonen, M, Spring, D. | | Deposit date: | 2016-12-13 | | Release date: | 2017-05-24 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.04 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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5MOH
 | | Crystal structure of CK2alpha with ZT0583 bound. | | Descriptor: | 2-(3-methoxy-4-oxidanyl-phenyl)ethanoic acid, ACETATE ION, 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 (1.38 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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5UWK
 | | Matrix metalloproteinase-13 complexed with selective inhibitor compound (S)-10a | | Descriptor: | (S)-3-methyl-2-(4'-(((4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)thio)methyl)-[1,1'-biphenyl]-4-ylsulfonamido)butanoic acid, CALCIUM ION, Collagenase 3, ... | | Authors: | Taylor, A.B, Cao, X, Hart, P.J. | | Deposit date: | 2017-02-21 | | Release date: | 2017-07-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure-Based Design and Synthesis of Potent and Selective Matrix Metalloproteinase 13 Inhibitors.
J. Med. Chem., 60, 2017
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2WSH
 | | Structure of bacteriophage T4 EndoII E118A mutant | | Descriptor: | DI(HYDROXYETHYL)ETHER, ENDONUCLEASE II, PHOSPHATE ION | | Authors: | Andersson, C.E, Lagerback, P, Carlson, K. | | Deposit date: | 2009-09-07 | | Release date: | 2010-03-02 | | Last modified: | 2019-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of Bacteriophage T4 Endonuclease II Mutant E118A, a Tetrameric Giy-Yig Enzyme.
J.Mol.Biol., 397, 2010
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1ZN0
 | | Coordinates of RRF and EF-G fitted into Cryo-EM map of the 50S subunit bound with both EF-G (GDPNP) and RRF | | Descriptor: | 16S RIBOSOMAL RNA, ELONGATION FACTOR G, Ribosome recycling factor | | Authors: | Gao, N, Zavialov, A.V, Li, W, Sengupta, J, Valle, M, Gursky, R.P, Ehrenberg, M, Frank, J. | | Deposit date: | 2005-05-11 | | Release date: | 2005-06-14 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (15.5 Å) | | Cite: | Mechanism for the disassembly of the posttermination complex inferred from cryo-EM studies.
Mol.Cell, 18, 2005
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2X72
 | | CRYSTAL STRUCTURE OF THE CONSTITUTIVELY ACTIVE E113Q,D2C,D282C RHODOPSIN MUTANT WITH BOUND GALPHACT PEPTIDE. | | Descriptor: | 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, ACETATE ION, DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, ... | | Authors: | Standfuss, J, Edwards, P.C, Dantona, A, Fransen, M, Xie, G, Oprian, D.D, Schertler, G.F.X. | | Deposit date: | 2010-02-22 | | Release date: | 2011-03-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The Structural Basis of Agonist Induced Activation in Constitutively Active Rhodopsin
Nature, 471, 2011
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8OH4
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5L6D
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4ZWO
 | | Crystal structure of organophosphate anhydrolase/prolidase mutant Y212F | | Descriptor: | GLYCEROL, GLYCOLIC ACID, MANGANESE (II) ION, ... | | Authors: | Daczkowski, C.M, Pegan, S.D, Harvey, S.P. | | Deposit date: | 2015-05-19 | | Release date: | 2015-10-14 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.141 Å) | | Cite: | Engineering the Organophosphorus Acid Anhydrolase Enzyme for Increased Catalytic Efficiency and Broadened Stereospecificity on Russian VX.
Biochemistry, 54, 2015
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5V2W
 | | Crystal structure of a LuxS from salmonella typhi | | Descriptor: | S-ribosylhomocysteine lyase, ZINC ION | | Authors: | Perumal, P, Raina, R, Manoj Kumar, P, Arockisamy, A, SundaraBaalaji, N. | | Deposit date: | 2017-03-06 | | Release date: | 2017-08-23 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of a LuxS from salmonella typhi
To Be Published
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2X7T
 | | Structures of human carbonic anhydrase II inhibitor complexes reveal a second binding site for steroidal and non-steroidal inhibitors. | | Descriptor: | (9BETA,13ALPHA,14BETA,17ALPHA)-2-ETHYLESTRA-1(10),2,4-TRIENE-3,17-DIYL DISULFAMATE, CARBONIC ANHYDRASE 2, GLYCEROL, ... | | Authors: | Cozier, G.E, Leese, M.P, Lloyd, M.D, Baker, M.D, Thiyagarajan, N, Acharya, K.R, Potter, B.V.L. | | Deposit date: | 2010-03-03 | | Release date: | 2010-03-31 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Structures of Human Carbonic Anhydrase II/Inhibitor Complexes Reveal a Second Binding Site for Steroidal and Non-Steroidal Inhibitors.
Biochemistry, 49, 2010
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3BJI
 | | Structural Basis of Promiscuous Guanine Nucleotide Exchange by the T-Cell Essential Vav1 | | Descriptor: | Proto-oncogene vav, Ras-related C3 botulinum toxin substrate 1 precursor, ZINC ION | | Authors: | Chrencik, J.E, Brooun, A, Kuhn, P, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D) | | Deposit date: | 2007-12-04 | | Release date: | 2008-07-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural basis of guanine nucleotide exchange mediated by the T-cell essential Vav1.
J.Mol.Biol., 380, 2008
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4AAA
 | | Crystal structure of the human CDKL2 kinase domain | | Descriptor: | 1,2-ETHANEDIOL, 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE, CYCLIN-DEPENDENT KINASE-LIKE 2 | | Authors: | Canning, P, Vollmar, M, Cooper, C.D.O, Mahajan, P, Daga, N, Berridge, G, Burgess-Brown, N, Muniz, J.R.C, Krojer, T, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | | Deposit date: | 2011-11-30 | | Release date: | 2011-12-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | CDKL Family Kinases Have Evolved Distinct Structural Features and Ciliary Function.
Cell Rep, 22, 2018
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3UR4
 | | Crystal structure of human WD repeat domain 5 with compound | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, SULFATE ION, ... | | Authors: | Dong, A, Dombrovski, L, Senisterra, G, Wernimont, A, Wasney, G.A, Allali Hassani, A, Nguyen, K.T, Smil, D, Bolshan, Y, Hajian, T, Poda, G, Chau, I, Al-Awar, R, Bountra, C, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Brown, P, Schapira, M, Vedadi, M, Wu, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2011-11-21 | | Release date: | 2011-12-14 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Small-molecule inhibition of MLL activity by disruption of its interaction with WDR5.
Biochem. J., 449, 2013
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