3PLP
| Bovine trypsin variant X(tripleIle227) in complex with small molecule inhibitor | Descriptor: | 2,7-BIS-(4-AMIDINOBENZYLIDENE)-CYCLOHEPTAN-1-ONE, CALCIUM ION, Cationic trypsin, ... | Authors: | Tziridis, A, Neumann, P, Braeuer, U, Kolenko, P, Stubbs, M.T. | Deposit date: | 2010-11-15 | Release date: | 2011-12-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. Biol.Chem., 395, 2014
|
|
2V1H
| Crystal structure of radiation-induced metmyoglobin - aqua ferrous myoglobin at pH 5.2 | Descriptor: | GLYCEROL, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Hersleth, H.-P, Gorbitz, C.H, Andersson, K.K. | Deposit date: | 2007-05-24 | Release date: | 2007-06-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Crystallographic and Spectroscopic Studies of Peroxide-Derived Myoglobin Compound II and Occurrence of Protonated Fe(Iv)-O J.Biol.Chem., 282, 2007
|
|
2VDY
| Crystal structure of the reactive loop cleaved Corticosteroid Binding Globulin complexed with Cortisol | Descriptor: | (11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione, CORTICOSTEROID-BINDING GLOBULIN | Authors: | Zhou, A, Wei, Z, Read, R.J. | Deposit date: | 2007-10-13 | Release date: | 2008-05-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The S-to-R Transition of Corticosteroid-Binding Globulin and the Mechanism of Hormone Release. J.Mol.Biol., 380, 2008
|
|
3PNA
| Crystal Structure of cAMP bound (91-244)RIa Subunit of cAMP-dependent Protein Kinase | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, GLYCEROL, cAMP-dependent protein kinase type I-alpha regulatory subunit | Authors: | Kim, C, Taylor, S. | Deposit date: | 2010-11-18 | Release date: | 2011-02-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.503 Å) | Cite: | Cyclic AMP Analog Blocks Kinase Activation by Stabilizing Inactive Conformation: Conformational Selection Highlights a New Concept in Allosteric Inhibitor Design. Mol Cell Proteomics, 10, 2011
|
|
3PLD
| Endothiapepsin in complex with a fragment | Descriptor: | 4-chlorobenzyl carbamimidothioate, Endothiapepsin, GLYCEROL | Authors: | Koester, H, Heine, A, Klebe, G. | Deposit date: | 2010-11-15 | Release date: | 2011-11-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | A small nonrule of 3 compatible fragment library provides high hit rate of endothiapepsin crystal structures with various fragment chemotypes. J.Med.Chem., 54, 2011
|
|
3PLK
| Bovine trypsin variant X(tripleIle227) in complex with small molecule inhibitor | Descriptor: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | Authors: | Tziridis, A, Neumann, P, Braeuer, U, Kolenko, P, Stubbs, M.T. | Deposit date: | 2010-11-15 | Release date: | 2011-12-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. Biol.Chem., 395, 2014
|
|
2UVN
| Crystal structure of econazole-bound CYP130 from Mycobacterium tuberculosis | Descriptor: | 1-[(2S)-2-[(4-CHLOROBENZYL)OXY]-2-(2,4-DICHLOROPHENYL)ETHYL]-1H-IMIDAZOLE, CYTOCHROME P450 130, FLUORIDE ION, ... | Authors: | Podust, L.M, Ortiz de Montellano, P.R. | Deposit date: | 2007-03-12 | Release date: | 2007-12-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Mycobacterium Tuberculosis Cyp130: Crystal Structure, Biophysical Characterization, and Interactions with Antifungal Azole Drugs J.Biol.Chem., 283, 2008
|
|
3PPT
| REP1-NXSQ fatty acid transporter | Descriptor: | PALMITOLEIC ACID, ReP1-NCXSQ | Authors: | Berberian, G, Bollo, M, Howard, E, Cousido-Siah, A, Mitschler, A, Ayoub, D, Sanglier-Cianferani, S, Van Dorsselaer, A, DiPolo, R, Beauge, L, Petrova, T, Schulze-Briese, C, Wang, M, Podjarny, A. | Deposit date: | 2010-11-25 | Release date: | 2011-12-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Structural and functional studies of ReP1-NCXSQ, a protein regulating the squid nerve Na+/Ca2+ exchanger. Acta Crystallogr.,Sect.D, 68, 2012
|
|
7XKK
| Human Cx36/GJD2 gap junction channel in detergents | Descriptor: | Gap junction delta-2 protein | Authors: | Lee, S.N, Cho, H.J, Jeong, H, Ryu, B, Lee, H.J, Lee, H.H, Woo, J.S. | Deposit date: | 2022-04-19 | Release date: | 2023-04-26 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Cryo-EM structures of human Cx36/GJD2 neuronal gap junction channel. Nat Commun, 14, 2023
|
|
3P68
| Time-dependent and Protein-directed In Situ Growth of Gold Nanoparticles in a Single Crystal of Lysozyme | Descriptor: | GOLD 3+ ION, Lysozyme C | Authors: | Wei, H, Wang, Z, Zhang, J, House, S, Gao, Y.-G, Yang, L, Robinson, H, Tan, L.H, Xing, H, Hou, C, Robertson, I.M, Zuo, J.-M, Lu, Y. | Deposit date: | 2010-10-11 | Release date: | 2011-02-09 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Time-dependent, protein-directed growth of gold nanoparticles within a single crystal of lysozyme. Nat Nanotechnol, 6, 2011
|
|
3P6G
| |
3P6S
| |
3P8F
| |
2W1L
| THE INTERDEPENDENCE OF WAVELENGTH, REDUNDANCY AND DOSE IN SULFUR SAD EXPERIMENTS: 0.979 a wavelength 991 images data | Descriptor: | CHLORIDE ION, LYSOZYME C, SODIUM ION | Authors: | Cianci, M, Helliwell, J.R, Suzuki, A. | Deposit date: | 2008-10-17 | Release date: | 2008-10-28 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | The Interdependence of Wavelength, Redundancy and Dose in Sulfur Sad Experiments. Acta Crystallogr.,Sect.D, 64, 2008
|
|
2WEB
| ACID PROTEINASE (PENICILLOPEPSIN) (E.C.3.4.23.20) COMPLEX WITH PHOSPHONATE INHIBITOR: METHYL(2S)-[1-(((N-FORMYL)-L-VALYL)AMINO-2-(2-NAPHTHYL)ETHYL)HYDROXYPHOSPHINYLOXY]-3-PHENYLPROPANOATE, SODIUM SALT | Descriptor: | METHYL (2S)-[1-((N-FORMYL)-L-VALYL)AMINO-2-(2-NAPHTHYL)ETHYL)HYDROXYPHOSPHINYLOXY]-3-PHENYL PROPANOATE, PENICILLOPEPSIN, SULFATE ION, ... | Authors: | Ding, J, Fraser, M.E, James, M.N.G. | Deposit date: | 1998-02-03 | Release date: | 1998-05-27 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Macrocyclic Inhibitors of Penicillopepsin. II. X-Ray Crystallographic Analyses of Penicillopepsin Complexed with a P3-P1 Macrocyclic Peptidyl Inhibitor and with its Two Acyclic Analogues J.Am.Chem.Soc., 120, 1998
|
|
2VR7
| Crystal Structure of G85R ALS mutant of Human Cu,Zn Superoxide Dismutase (CuZnSOD) at 1.58 A resolution | Descriptor: | COPPER (II) ION, SULFATE ION, SUPEROXIDE DISMUTASE [CU-ZN], ... | Authors: | Antonyuk, S, Cao, X, Seetharaman, S.V, Whitson, L.J, Taylor, A.B, Holloway, S.P, Strange, R.W, Doucette, P.A, Tiwari, A, Hayward, L.J, Padua, S, Cohlberg, J.A, Selverstone Valentine, J, Hasnain, S.S, Hart, P.J. | Deposit date: | 2008-03-28 | Release date: | 2008-04-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Structures of the G85R Variant of Sod1 in Familial Amyotrophic Lateral Sclerosis. J.Biol.Chem., 283, 2008
|
|
3OOT
| Crystal Structure Analysis of Renin-indole-piperazin inhibitor complexes | Descriptor: | 2-(3-fluoro-2-methylbenzyl)-4-methyl-1-phenyl-3-(piperazin-1-ylcarbonyl)-1H-indol-5-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin | Authors: | Bocskei, Z. | Deposit date: | 2010-08-31 | Release date: | 2010-10-27 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Discovery and optimization of a new class of potent and non-chiral indole-3-carboxamide-based renin inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
|
|
2VRY
| Mouse Neuroglobin with heme iron in the reduced ferrous state | Descriptor: | NEUROGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | Authors: | Arcovito, A, Moschetti, T, D'Angelo, P, Mancini, G, Vallone, B, Brunori, M, Della Longa, S. | Deposit date: | 2008-04-16 | Release date: | 2008-05-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | An X-Ray Diffraction and X-Ray Absorption Spectroscopy Joint Study of Neuroglobin. Arch.Biochem.Biophys., 475, 2008
|
|
2W0A
| |
3P3O
| Crystal Structure of the Cytochrome P450 Monooxygenase AurH (ntermII) from Streptomyces Thioluteus | Descriptor: | CHLORIDE ION, Cytochrome P450, GLYCEROL, ... | Authors: | Zocher, G, Richter, M.E.A, Mueller, U, Hertweck, C. | Deposit date: | 2010-10-05 | Release date: | 2011-02-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Structural fine-tuning of a multifunctional cytochrome p450 monooxygenase. J.Am.Chem.Soc., 133, 2011
|
|
3P5H
| Structure of the carbohydrate-recognition domain of human Langerin with Laminaritriose | Descriptor: | C-type lectin domain family 4 member K, CALCIUM ION, beta-D-glucopyranose, ... | Authors: | Feinberg, H, Taylor, M.E, Razi, N, McBride, R, Knirel, Y.A, Graham, S.A, Drickamer, K, Weis, W.I. | Deposit date: | 2010-10-08 | Release date: | 2010-12-08 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.6051 Å) | Cite: | Structural Basis for Langerin Recognition of Diverse Pathogen and Mammalian Glycans through a Single Binding Site. J.Mol.Biol., 405, 2011
|
|
3OWN
| Potent macrocyclic renin inhibitors | Descriptor: | (2S,4S)-4-hydroxy-2-(1-methylethyl)-4-[(4R,13S)-18-[methyl(methylsulfonyl)amino]-2,15-dioxo-4-phenyl-11-oxa-3,14-diazatricyclo[14.3.1.1~5,9~]henicosa-1(20),5(21),6,8,16,18-hexaen-13-yl]-N-(2-methylpropyl)butanamide, (2S,4S)-4-hydroxy-2-(1-methylethyl)-4-[(4S,13S)-18-[methyl(methylsulfonyl)amino]-2,15-dioxo-4-phenyl-11-oxa-3,14-diazatricyclo[14.3.1.1~5,9~]henicosa-1(20),5(21),6,8,16,18-hexaen-13-yl]-N-(2-methylpropyl)butanamide, ACETATE ION, ... | Authors: | Borkakoti, N, Derbyshire, D. | Deposit date: | 2010-09-20 | Release date: | 2010-12-15 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design and synthesis of potent macrocyclic renin inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
|
|
3OXX
| Crystal Structure of HIV-1 I50V, A71V Protease in Complex with the Protease Inhibitor Atazanavir | Descriptor: | (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER, 1,2-ETHANEDIOL, ... | Authors: | Schiffer, C.A, Bandaranayake, R.M. | Deposit date: | 2010-09-22 | Release date: | 2011-09-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural and thermodynamic basis of amprenavir/darunavir and atazanavir resistance in HIV-1 protease with mutations at residue 50. J.Virol., 87, 2013
|
|
2W1X
| The interdependence of wavelength, redundancy and dose in sulfur SAD experiments: 1.284 A wavelength 360 images data | Descriptor: | CHLORIDE ION, LYSOZYME C, SODIUM ION | Authors: | Cianci, M, Helliwell, J.R, Suzuki, A. | Deposit date: | 2008-10-21 | Release date: | 2008-11-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Interdependence of Wavelength, Redundancy and Dose in Sulfur Sad Experiments. Acta Crystallogr.,Sect.D, 64, 2008
|
|
3PAR
| Surfactant Protein-A neck and carbohydrate recognition domain (NCRD) in the absence of ligand | Descriptor: | CALCIUM ION, Pulmonary surfactant-associated protein A, SULFATE ION | Authors: | Shang, F, Rynkiewicz, M.J, McCormack, F.X, Wu, H, Cafarella, T.M, Head, J, Seaton, B.A. | Deposit date: | 2010-10-19 | Release date: | 2010-11-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystallographic complexes of surfactant protein A and carbohydrates reveal ligand-induced conformational change. J.Biol.Chem., 286, 2011
|
|