2W09
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2W6V
| Structure of Human deoxy Hemoglobin A in complex with Xenon | Descriptor: | GLYCEROL, HEMOGLOBIN SUBUNIT ALPHA, HEMOGLOBIN SUBUNIT BETA, ... | Authors: | Miele, A.E, Draghi, F, Sciara, G, Johnson, K.A, Renzi, F, Vallone, B, Brunori, M, Savino, C. | Deposit date: | 2008-12-19 | Release date: | 2009-04-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Pattern of Cavities in Globins: The Case of Human Hemoglobin. Biopolymers, 91, 2009
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2W5K
| RNASE A-NADPH COMPLEX | Descriptor: | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, RIBONUCLEASE PANCREATIC | Authors: | Chavali, G.B, Holloway, D.E, Baker, M.D, Acharya, K.R. | Deposit date: | 2008-12-10 | Release date: | 2009-02-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Influence of Naturally-Occurring 5'-Pyrophosphate-Linked Substituents on the Binding of Adenylic Inhibitors to Ribonuclease A: An X-Ray Crystallographic Study. Biopolymers, 91, 2009
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2W6X
| Crystal structure of Sperm Whale Myoglobin mutant YQRF in complex with Xenon | Descriptor: | MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... | Authors: | Miele, A.E, Draghi, F, Renzi, F, Sciara, G, Johnson, K.A, Vallone, B, Brunori, M, Savino, C. | Deposit date: | 2008-12-19 | Release date: | 2009-12-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | When the Same Fold Does not Mean the Same Function: The Case of Xenon Cavities in Hemoglobin and Myoglobin To be Published
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7WZ6
| Crystal structure of MyoD-E47 | Descriptor: | Isoform E47 of Transcription factor E2-alpha, Myoblast determination protein 1 | Authors: | Zhong, J, Huang, Y, Ma, J. | Deposit date: | 2022-02-17 | Release date: | 2022-06-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural basis of the bHLH domains of MyoD-E47 heterodimer. Biochem.Biophys.Res.Commun., 621, 2022
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7WZ8
| Structure of human langerin complex in Birbeck granules | Descriptor: | SNAP-tag,C-type lectin domain family 4 member K | Authors: | Oda, T, Yanagisawa, H. | Deposit date: | 2022-02-17 | Release date: | 2022-06-22 | Last modified: | 2023-08-02 | Method: | ELECTRON MICROSCOPY (6.4 Å) | Cite: | Cryo-electron tomography of Birbeck granules reveals the molecular mechanism of langerin lattice formation. Elife, 11, 2022
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2WGY
| Crystal structure of the G243A mutant of CYP130 from M. tuberculosis | Descriptor: | CYTOCHROME P450 130, ISOPROPYL ALCOHOL, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Podust, L.M, Ouellet, H, von Kries, J.P, Ortiz de Montellano, P.R. | Deposit date: | 2009-04-28 | Release date: | 2009-05-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Interaction of Mycobacterium tuberculosis CYP130 with heterocyclic arylamines. J. Biol. Chem., 284, 2009
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2WBU
| CRYSTAL STRUCTURE OF THE ZINC FINGER DOMAIN OF KLF4 BOUND TO ITS TARGET DNA | Descriptor: | 5'-D(*DGP*DAP*DGP*DGP*DCP*DGP*DTP* DGP*DGP*DC)-3', 5'-D(*DGP*DCP*DCP*DAP*DCP*DGP*DCP* DCP*DTP*DC)-3', KRUEPPEL-LIKE FACTOR 4, ... | Authors: | Schuetz, A, Zocher, G, Carstanjen, D, Heinemann, U. | Deposit date: | 2009-03-05 | Release date: | 2010-04-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The Structure of the Klf4 DNA-Binding Domain Links to Self-Renewal and Macrophage Differentiation. Cell.Mol.Life Sci., 68, 2011
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2WCP
| CRYSTAL STRUCTURE OF MOUSE CADHERIN-23 EC1-2 | Descriptor: | CADHERIN-23, CALCIUM ION, CHLORIDE ION, ... | Authors: | Sotomayor, M, Weihofen, W, Gaudet, R, Corey, D.P. | Deposit date: | 2009-03-13 | Release date: | 2010-04-21 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structural Determinants of Cadherin-23 Function in Hearing and Deafness. Neuron, 66, 2010
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2W5M
| RNASE A-PYROPHOSPHATE ION COMPLEX | Descriptor: | PYROPHOSPHATE 2-, RIBONUCLEASE PANCREATIC | Authors: | Chavali, G.B, Holloway, D.E, Baker, M.D, Acharya, K.R. | Deposit date: | 2008-12-10 | Release date: | 2009-02-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Influence of Naturally-Occurring 5'-Pyrophosphate-Linked Substituents on the Binding of Adenylic Inhibitors to Ribonuclease A: An X-Ray Crystallographic Study. Biopolymers, 91, 2009
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7XGO
| Human renin in complex with compound2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin, UNKNOWN LIGAND | Authors: | Kashima, A. | Deposit date: | 2022-04-05 | Release date: | 2022-08-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of Novel 2-Carbamoyl Morpholine Derivatives as Highly Potent and Orally Active Direct Renin Inhibitors. Acs Med.Chem.Lett., 13, 2022
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2VIJ
| Human BACE-1 in complex with 3-(1,1-dioxidotetrahydro-2H-1,2-thiazin- 2-yl)-5-(ethylamino)-N-((1S,2R)-2-hydroxy-1-(phenylmethyl)-3-(1,2,3,4- tetrahydro-1-naphthalenylamino)propyl)benzamide | Descriptor: | BETA-SECRETASE 1, N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-ylamino]propyl}-3-(1,1-dioxido-1,2-thiazinan-2-yl)-5-(ethylamino)benzamide | Authors: | Beswick, P, Charrier, N, Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Faller, A, Gleave, R, Hawkins, J, Hussain, I, Johnson, C.N, Macpherson, D, Maile, G, Matico, R, Milner, P, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Riddell, D, Rowland, P, Skidmore, J, Soleil, V, Smith, K.J, Stanway, S, Stemp, G, Stuart, A, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Ward, J, Wayne, G. | Deposit date: | 2007-12-04 | Release date: | 2008-01-29 | Last modified: | 2019-09-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Bace-1 Inhibitors Part 3: Identification of Hydroxy Ethylamines (Heas) with Nanomolar Potency in Cells. Bioorg.Med.Chem.Lett., 18, 2008
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2VIZ
| Human BACE-1 in complex with N-((1S,2R)-3-(((1S)-2-(cyclohexylamino)- 1-methyl-2-oxoethyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-3-(2-oxo- 1-pyrrolidinyl)-5-(propyloxy)benzamide | Descriptor: | BETA-SECRETASE 1, N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(2-oxo-2,3-dihydro-1H-pyrrol-1-yl)-5-propoxybenzamide | Authors: | Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Faller, A, Hawkins, J, Hussain, I, MacPherson, D, Maile, G, Matico, R, Milner, P, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Riddell, D, Rowland, P, Soleil, V, Smith, K, Stanway, S, Stemp, G, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Ward, J, Wayne, G. | Deposit date: | 2007-12-06 | Release date: | 2008-01-29 | Last modified: | 2019-05-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Bace-1 Inhibitors Part 1: Identification of Novel Hydroxy Ethylamines (Heas). Bioorg.Med.Chem.Lett., 18, 2008
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2VIW
| Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator | Descriptor: | 4-(2-aminoethoxy)-N-(3-chloro-2-ethoxy-5-piperidin-1-ylphenyl)-3,5-dimethylbenzamide, ACETATE ION, UROKINASE-TYPE PLASMINOGEN ACTIVATOR CHAIN B | Authors: | Frederickson, M, Callaghan, O, Chessari, G, Congreve, M, Cowan, S.R, Matthews, J.E, McMenamin, R, Smith, D, Vinkovic, M, Wallis, N.G. | Deposit date: | 2007-12-05 | Release date: | 2008-01-22 | Last modified: | 2017-07-05 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator. J.Med.Chem., 51, 2008
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2V7Z
| Crystal structure of the 70-kDa heat shock cognate protein from Rattus norvegicus in post-ATP hydrolysis state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, HEAT SHOCK COGNATE 71 KDA PROTEIN, PHOSPHATE ION | Authors: | Chang, Y.-W, Sun, Y.-J, Wang, C, Hsiao, C.-D. | Deposit date: | 2007-08-02 | Release date: | 2008-04-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Crystal Structures of the 70-kDa Heat Shock Proteins in Domain Disjoining Conformation. J.Biol.Chem., 283, 2008
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7XGK
| Human renin in complex with compound1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin, UNKNOWN LIGAND | Authors: | Kashima, A. | Deposit date: | 2022-04-05 | Release date: | 2022-08-31 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of Novel 2-Carbamoyl Morpholine Derivatives as Highly Potent and Orally Active Direct Renin Inhibitors. Acs Med.Chem.Lett., 13, 2022
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2VA5
| X-ray crystal structure of beta secretase complexed with compound 8c | Descriptor: | 2-amino-6-[2-(1H-indol-6-yl)ethyl]pyrimidin-4(3H)-one, BETA-SECRETASE 1 ., IODIDE ION | Authors: | Edwards, P.D, Albert, J.S, Sylvester, M, Aharony, D, Andisik, D, Callaghan, O, Campbell, J.B, Carr, R.A, Chessari, G, Congreve, M, Frederickson, M, Folmer, R.H.A, Geschwindner, S, Koether, G, Kolmodin, K, Krumrine, J, Mauger, R.C, Murray, C.W, Olsson, L, Patel, S, Spear, N, Tian, G. | Deposit date: | 2007-08-30 | Release date: | 2007-11-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Application of Fragment-Based Lead Generation to the Discovery of Novel, Cyclic Amidine Beta-Secretase Inhibitors with Nanomolar Potency, Cellular Activity, and High Ligand Efficiency. J.Med.Chem., 50, 2007
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7XGP
| Human renin in complex with compound3 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin, UNKNOWN LIGAND | Authors: | Kashima, A. | Deposit date: | 2022-04-05 | Release date: | 2022-09-07 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Discovery of SPH3127: A Novel, Highly Potent, and Orally Active Direct Renin Inhibitor. J.Med.Chem., 65, 2022
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2VIV
| Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator | Descriptor: | 4-(2-aminoethoxy)-N-(3-chloro-5-piperidin-1-ylphenyl)-3,5-dimethylbenzamide, ACETATE ION, UROKINASE-TYPE PLASMINOGEN ACTIVATOR CHAIN B | Authors: | Frederickson, M, Callaghan, O, Chessari, G, Congreve, M, Cowan, S.R, Matthews, J.E, McMenamin, R, Smith, D, Vinkovic, M, Wallis, N.G. | Deposit date: | 2007-12-05 | Release date: | 2008-01-22 | Last modified: | 2017-07-05 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator. J.Med.Chem., 51, 2008
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2V37
| Solution structure of the N-terminal extracellular domain of human T- cadherin | Descriptor: | CADHERIN-13 | Authors: | Dames, S.A, Bang, E.J, Ahrens, T, Haeussinger, D, Grzesiek, S. | Deposit date: | 2007-06-13 | Release date: | 2008-06-10 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Insights into the low adhesive capacity of human T-cadherin from the NMR structure of Its N-terminal extracellular domain. J. Biol. Chem., 283, 2008
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2VGC
| GAMMA-CHYMOTRYPSIN D-PARA-CHLORO-1-ACETAMIDO BORONIC ACID INHIBITOR COMPLEX | Descriptor: | D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID, GAMMA CHYMOTRYPSIN, SULFATE ION | Authors: | Stoll, V.S, Eger, B.T, Hynes, R.C, Martichonok, V, Jones, J.B, Pai, E.F. | Deposit date: | 1997-05-01 | Release date: | 1997-11-12 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Differences in binding modes of enantiomers of 1-acetamido boronic acid based protease inhibitors: crystal structures of gamma-chymotrypsin and subtilisin Carlsberg complexes. Biochemistry, 37, 1998
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2VHB
| AZIDE ADDUCT OF THE BACTERIAL HEMOGLOBIN FROM VITREOSCILLA STERCORARIA | Descriptor: | AZIDE ION, HEMOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Tarricone, C, Galizzi, A, Coda, A, Ascenzi, P, Bolognesi, M. | Deposit date: | 1997-02-19 | Release date: | 1998-02-25 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Unusual structure of the oxygen-binding site in the dimeric bacterial hemoglobin from Vitreoscilla sp. Structure, 5, 1997
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7XJG
| Cryo-EM structure of E.coli retron-Ec86 in complex with its effector at 2.5 angstrom | Descriptor: | DNA (105-MER), MAGNESIUM ION, RNA (14-MER), ... | Authors: | Wang, Y.J, Guan, Z.Y, Zou, T.T. | Deposit date: | 2022-04-17 | Release date: | 2022-09-14 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (2.51 Å) | Cite: | Cryo-EM structures of Escherichia coli Ec86 retron complexes reveal architecture and defence mechanism. Nat Microbiol, 7, 2022
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2VM1
| Crystal structure of barley thioredoxin h isoform 1 crystallized using ammonium sulfate as precipitant | Descriptor: | SULFATE ION, THIOREDOXIN H ISOFORM 1. | Authors: | Maeda, K, Hagglund, P, Finnie, C, Svensson, B, Henriksen, A. | Deposit date: | 2008-01-21 | Release date: | 2008-04-29 | Last modified: | 2017-07-12 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structures of Barley Thioredoxin H Isoforms Hvtrxh1 and Hvtrxh2 Reveal Features Involved in Protein Recognition and Possibly in Discriminating the Isoform Specificity. Protein Sci., 17, 2008
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2VJ6
| Human BACE-1 in complex with N-((1S,2R)-3-(((1S)-2-(cyclohexylamino)- 1-methyl-2-oxoethyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-3-(ethylamino)-5-(2-oxo-1-pyrrolidinyl)benzamide | Descriptor: | BETA-SECRETASE 1, N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide | Authors: | Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Faller, A, Hawkins, J, Hussain, I, MacPherson, D, Maile, G, Matico, R, Milner, P, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Riddell, D, Rowland, P, Soleil, V, Smith, K, Stanway, S, Stemp, G, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Ward, J, Wayne, G. | Deposit date: | 2007-12-06 | Release date: | 2008-01-29 | Last modified: | 2019-05-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Bace-1 Inhibitors Part 2: Identification of Hydroxy Ethylamines (Heas) with Reduced Peptidic Character. Bioorg.Med.Chem.Lett., 18, 2008
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