3D7B
 
 | | The Ribonuclease A- 5'-Deoxy-5'-N-pyrrolidinouridine complex | | Descriptor: | 1-(5-deoxy-5-pyrrolidin-1-yl-alpha-L-arabinofuranosyl)pyrimidine-2,4(1H,3H)-dione, CITRATE ANION, Ribonuclease pancreatic | | Authors: | Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G. | | Deposit date: | 2008-05-21 | | Release date: | 2009-02-10 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Morpholino, piperidino, and pyrrolidino derivatives of pyrimidine nucleosides as inhibitors of ribonuclease A: synthesis, biochemical, and crystallographic evaluation.
J.Med.Chem., 52, 2009
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6GEO
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3D7O
 | | Human hemoglobin, nitrogen dioxide anion modified | | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, NITRITE ION, ... | | Authors: | Yi, J, Safo, M.K, Richter-Addo, G.B. | | Deposit date: | 2008-05-21 | | Release date: | 2009-05-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The nitrite anion binds to human hemoglobin via the uncommon O-nitrito mode.
Biochemistry, 47, 2008
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6GEQ
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6GC5
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6GD6
 | | Cytochrome c in complex with Sulfonato-calix[8]arene, H3 form with ammonium sulfate | | Descriptor: | Cytochrome c iso-1, HEME C, SULFATE ION, ... | | Authors: | Rennie, M.L, Fox, G.C, Crowley, P.B. | | Deposit date: | 2018-04-23 | | Release date: | 2018-08-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Auto-regulated Protein Assembly on a Supramolecular Scaffold.
Angew. Chem. Int. Ed. Engl., 57, 2018
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3CFY
 | | Crystal structure of signal receiver domain of putative Luxo repressor protein from Vibrio parahaemolyticus | | Descriptor: | Putative LuxO repressor protein | | Authors: | Patskovsky, Y, Ramagopal, U.A, Fong, R, Freeman, J, Iizuka, M, Groshong, C, Smith, D, Wasserman, S.R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2008-03-04 | | Release date: | 2008-03-18 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structure of Signal Receiver Domain of Putative Luxo Repressor Protein from Vibrio Parahaemolyticus.
To be Published
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3CG4
 | | Crystal structure of response regulator receiver domain protein (CheY-like) from Methanospirillum hungatei JF-1 | | Descriptor: | GLYCEROL, MAGNESIUM ION, Response regulator receiver domain protein (CheY-like) | | Authors: | Patskovsky, Y, Freeman, J, Hu, S, Bain, K, Smith, D, Wasserman, S.R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2008-03-04 | | Release date: | 2008-03-11 | | Last modified: | 2021-02-03 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Crystal Structure of Response Regulator Receiver Domain Protein (Chey-Like) from Methanospirillum hungatei JF-1.
To be Published
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6T42
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6TLH
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6FVC
 | | Protein environment affects the water-tryptophan binding mode. Molecular dynamics simulations of Engrailed homeodomain mutants | | Descriptor: | Segmentation polarity homeobox protein engrailed | | Authors: | Trosanova, Z, Zachrdla, M, Jansen, S, Srb, P, Zidek, L, Kozelka, J. | | Deposit date: | 2018-03-02 | | Release date: | 2019-04-03 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Protein environment affects the water-tryptophan binding mode. MD, QM/MM, and NMR studies of engrailed homeodomain mutants.
Phys Chem Chem Phys, 20, 2018
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6TLS
 | | HUMAN CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 4,6-DIBROMOBENZOTRIAZOLE | | Descriptor: | 5,7-bis(bromanyl)-1~{H}-benzotriazole, CHLORIDE ION, Casein kinase II subunit alpha, ... | | Authors: | Czapinska, H, Piasecka, A, Winiewska-Szajewska, M, Bochtler, M, Poznanski, J. | | Deposit date: | 2019-12-03 | | Release date: | 2020-12-16 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Halogen Atoms in the Protein-Ligand System. Structural and Thermodynamic Studies of the Binding of Bromobenzotriazoles by the Catalytic Subunit of Human Protein Kinase CK2.
J.Phys.Chem.B, 125, 2021
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6GCH
 | | STRUCTURE OF CHYMOTRYPSIN-*TRIFLUOROMETHYL KETONE INHIBITOR COMPLEXES. COMPARISON OF SLOWLY AND RAPIDLY EQUILIBRATING INHIBITORS | | Descriptor: | 1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE), GAMMA-CHYMOTRYPSIN A | | Authors: | Brady, K, Wei, A, Ringe, D, Abeles, R.H. | | Deposit date: | 1990-04-06 | | Release date: | 1990-10-15 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of chymotrypsin-trifluoromethyl ketone inhibitor complexes: comparison of slowly and rapidly equilibrating inhibitors.
Biochemistry, 29, 1990
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3CLP
 | | M. loti cyclic-nucleotide binding domain mutant 2 | | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Mll3241 protein | | Authors: | Clayton, G.M, Altieri, S.L, Thomas, L.R, Morais-Cabral, J.H. | | Deposit date: | 2008-03-19 | | Release date: | 2008-08-05 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural and Energetic Analysis of Activation by a Cyclic Nucleotide Binding Domain.
J.Mol.Biol., 381, 2008
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6T8N
 | | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K3007 | | Descriptor: | 1,2-ETHANEDIOL, Activin receptor type I, DIMETHYL SULFOXIDE, ... | | Authors: | Adamson, R.J, Williams, E.P, Bonomo, S, Rankin, S, Bacos, D, Rae, A, Cramp, S, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | | Deposit date: | 2019-10-24 | | Release date: | 2019-11-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K3007
To Be Published
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6T8V
 | | Complement factor B in complex with (S)-5,7-Dimethyl-4-((2-phenylpiperidin-1-yl)methyl)-1H-indole | | Descriptor: | 4-[(2~{S})-1-[(5,7-dimethyl-1~{H}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid, Complement factor B, SULFATE ION, ... | | Authors: | Mainolfi, N, Ehara, T, Karki, R.G, Anderson, K, Mac Sweeney, A, Wiesmann, C, Adams, C, Mainolfi, N, Liao, S.-M, Argikar, U.A, Jendza, K, Zhang, C, Powers, J, Klosowski, D.W, Crowley, M, Kawanami, T, Ding, J, April, M, Forster, C, Serrano-Wu, M, Capparelli, M, Ramqaj, R, Solovay, C, Cumin, F, Smith, T.M, Ferrara, L, Lee, W, Long, D, Prentiss, M, De Erkenez, A, Yang, L, Fang, L, Sellner, H, Sirockin, F, Valeur, E, Erbel, P, Ramage, P, Gerhartz, B, Schubart, A, Flohr, S, Gradoux, N, Feifel, R, Vogg, B, Wiesmann, C, Maibaum, J, Eder, J, Sedrani, R, Harrison, R.A, Mogi, M, Jaffee, B.D, Adams, C.M. | | Deposit date: | 2019-10-25 | | Release date: | 2020-03-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Discovery of 4-((2S,4S)-4-Ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic Acid (LNP023), a Factor B Inhibitor Specifically Designed To Be Applicable to Treating a Diverse Array of Complement Mediated Diseases.
J.Med.Chem., 63, 2020
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3COM
 | | Crystal structure of Mst1 kinase | | Descriptor: | Serine/threonine-protein kinase 4 | | Authors: | Atwell, S, Burley, S.K, Dickey, M, Leon, B, Sauder, J.M, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2008-03-28 | | Release date: | 2008-04-15 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of Mst1 kinase.
To be Published
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6T9T
 | | Matriptase in complex with the synthetic inhibitor (S)-3-(3-(4-(3-(tert-butyl)ureido)piperidin-1-yl)-2-((3'-fluoro-4'-(hydroxymethyl)-[1,1'-biphenyl])-3-sulfonamido)-3-oxopropyl)benzimidamide (MI-1904) | | Descriptor: | 1-~{tert}-butyl-3-[1-[(2~{S})-3-(3-carbamimidoylphenyl)-2-[[3-[3-fluoranyl-4-(hydroxymethyl)phenyl]phenyl]sulfonylamino ]propanoyl]piperidin-4-yl]urea, CHLORIDE ION, Suppressor of tumorigenicity 14 protein | | Authors: | Mueller, J.M, Merkl, S, Keils, A, Pilgram, O, Steinmetzer, T. | | Deposit date: | 2019-10-28 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Improving the selectivity of 3-amidinophenylalanine-derived matriptase inhibitors
Eur.J.Med.Chem., 2022
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5CNB
 | | Ultrafast dynamics in myoglobin: 0.5 ps time delay | | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I. | | Deposit date: | 2015-07-17 | | Release date: | 2015-09-16 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation.
Science, 350, 2015
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3CQQ
 | | Human SOD1 G85R Variant, Structure II | | Descriptor: | ACETYL GROUP, Superoxide dismutase [Cu-Zn], ZINC ION | | Authors: | Cao, X, Antonyuk, S, Whitson, L.J, Taylor, A.B, Holloway, S.P, Strange, R.W, Doucette, P.A, Valentine, J.S, Tiwari, A, Hayward, L.J, Padua, S, Cohlberg, J.A, Hasnain, S.S, Hart, P.J. | | Deposit date: | 2008-04-03 | | Release date: | 2008-04-29 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structures of the G85R Variant of SOD1 in Familial Amyotrophic Lateral Sclerosis.
J.Biol.Chem., 283, 2008
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5CO1
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6GHH
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6GF0
 | | Lysozyme structure determined from SFX data using a Sheet-on-Sheet chipless chip | | Descriptor: | Lysozyme C | | Authors: | Doak, R.B, Gorel, A, Foucar, L, Gruenbein, M.L, Hilpert, M, Kloos, M, Nass Kovacs, G, Roome, C, Shoeman, R.L, Stricker, M, Tono, K, You, D, Ueda, K, Sherrel, D, Owen, R, Barends, T.R.M, Schlichting, I. | | Deposit date: | 2018-04-27 | | Release date: | 2018-10-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Crystallography on a chip - without the chip: sheet-on-sheet sandwich.
Acta Crystallogr D Struct Biol, 74, 2018
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6TLL
 | | HUMAN CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 4,5,6,7-TETRABROMOBENZOTRIAZOLE (tBBT) | | Descriptor: | 4,5,6,7-TETRABROMOBENZOTRIAZOLE, CHLORIDE ION, Casein kinase II subunit alpha, ... | | Authors: | Czapinska, H, Piasecka, A, Winiewska-Szajewska, M, Bochtler, M, Poznanski, J. | | Deposit date: | 2019-12-03 | | Release date: | 2020-12-16 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Halogen Atoms in the Protein-Ligand System. Structural and Thermodynamic Studies of the Binding of Bromobenzotriazoles by the Catalytic Subunit of Human Protein Kinase CK2.
J.Phys.Chem.B, 125, 2021
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5C9M
 | | The structure of oxidized rat cytochrome c (T28A) at 1.362 angstroms resolution. | | Descriptor: | Cytochrome c, somatic, HEME C, ... | | Authors: | Edwards, B.F.P, Mahapatra, G, Vaishnav, A.A, Brunzelle, J.S, Huttemann, M. | | Deposit date: | 2015-06-28 | | Release date: | 2016-09-21 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.362 Å) | | Cite: | The structure of oxidized rat cytochrome c (T28A) at 1.362 angstroms resolution.
To Be Published
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