2JVR
 
 | | Segmental Isotope Labeling of Npl3p | | Descriptor: | Nucleolar protein 3 | | Authors: | Skrisovska, L, Allain, F.H.-T. | | Deposit date: | 2007-09-25 | | Release date: | 2007-12-18 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Improved segmental isotope labeling methods for the NMR study of multidomain or large proteins: application to the RRMs of Npl3p and hnRNP L
J.Mol.Biol., 375, 2008
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1AQ7
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3MDR
 | | Tranylcypromine complex of Cytochrome P450 46A1 | | Descriptor: | (1R,2S)-2-phenylcyclopropanamine, Cholesterol 24-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Mast, N, Charvet, C, Pikuleva, I, Stout, C.D. | | Deposit date: | 2010-03-30 | | Release date: | 2010-07-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis of drug binding to CYP46A1, an enzyme that controls cholesterol turnover in the brain.
J.Biol.Chem., 285, 2010
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7F1D
 | | Crystal Structure of BACE1 in complex with N-{3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-4-yl]-4-fluorophenyl}-2H,3H-[1,4]dioxino[2,3-c]pyridine-7-carboxamide | | Descriptor: | Beta-secretase 1, IODIDE ION, N-[3-[(4R,5R,6R)-2-azanyl-5-fluoranyl-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide | | Authors: | Ueno, T, Matsuoka, E, Asada, N, Yamamoto, S, Kanegawa, N, Ito, M, Ito, H, Moechars, D, Rombouts, F.J.R, Gijsen, H.J.M, Kusakabe, K.I. | | Deposit date: | 2021-06-09 | | Release date: | 2022-02-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Discovery of Extremely Selective Fused Pyridine-Derived beta-Site Amyloid Precursor Protein-Cleaving Enzyme (BACE1) Inhibitors with High In Vivo Efficacy through 10s Loop Interactions.
J.Med.Chem., 64, 2021
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3MBL
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7F6J
 | | Crystal structure of the PDZD8 coiled-coil domain - Rab7 complex | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PDZ domain-containing protein 8, ... | | Authors: | Khan, H, Chen, L, Tan, L, Im, Y.J. | | Deposit date: | 2021-06-25 | | Release date: | 2022-02-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis of human PDZD8-Rab7 interaction for the ER-late endosome tethering.
Sci Rep, 11, 2021
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2K40
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1AUC
 | | HUMAN THIOREDOXIN (OXIDIZED WITH DIAMIDE) | | Descriptor: | THIOREDOXIN | | Authors: | Anderson, J.F, Sanders, D.A.R, Gasdaska, J, Weichsel, A, Powis, G, Montfort, W.R. | | Deposit date: | 1997-08-22 | | Release date: | 1998-02-25 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Human thioredoxin homodimers: regulation by pH, role of aspartate 60, and crystal structure of the aspartate 60 --> asparagine mutant.
Biochemistry, 36, 1997
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7F1G
 | | BACE2 xaperone complex with N-{3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-4-yl]-4-fluorophenyl}-2H,3H-[1,4]dioxino[2,3-c]pyridine-7-carboxamide | | Descriptor: | Beta-secretase 2, N-[3-[(4R,5R,6R)-2-azanyl-5-fluoranyl-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide, XAPERONE | | Authors: | Ueno, T, Matsuoka, E, Asada, N, Yamamoto, S, Kanegawa, N, Ito, M, Ito, H, Moechars, D, Rombouts, F.J.R, Gijsen, H.J.M, Kusakabe, K.I. | | Deposit date: | 2021-06-09 | | Release date: | 2022-02-23 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Discovery of Extremely Selective Fused Pyridine-Derived beta-Site Amyloid Precursor Protein-Cleaving Enzyme (BACE1) Inhibitors with High In Vivo Efficacy through 10s Loop Interactions.
J.Med.Chem., 64, 2021
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3MD3
 | | Crystal Structure of the First Two RRM Domains of Yeast Poly(U) Binding Protein (Pub1) | | Descriptor: | GLYCEROL, Nuclear and cytoplasmic polyadenylated RNA-binding protein PUB1, SULFATE ION | | Authors: | Li, H, Shi, H, Zhu, Z, Wang, H, Niu, L, Teng, M. | | Deposit date: | 2010-03-29 | | Release date: | 2010-05-05 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal Structure of the First Two RRM Domains of Yeast Poly(U) Binding Protein (Pub1)
To be published
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1B0E
 | | CRYSTAL STRUCTURE OF PORCINE PANCREATIC ELASTASE WITH MDL 101,146 | | Descriptor: | 1-{3-METHYL-2-[4-(MORPHOLINE-4-CARBONYL)-BENZOYLAMINO]-BUTYRYL}-PYRROLIDINE-2-CARBOXYLIC ACID (3,3,4,4,4-PENTAFLUORO-1-ISOPROPYL-2-OXO-BUTYL)-AMIDE, CALCIUM ION, PROTEIN (ELASTASE) | | Authors: | Schreuder, H.A, Metz, W.A, Peet, N.P, Pelton, J.T, Tardif, C. | | Deposit date: | 1998-11-09 | | Release date: | 1998-11-18 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Inhibition of human neutrophil elastase. 4. Design, synthesis, X-ray crystallographic analysis, and structure-activity relationships for a series of P2-modified, orally active peptidyl pentafluoroethyl ketones.
J.Med.Chem., 41, 1998
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1B0U
 | | ATP-BINDING SUBUNIT OF THE HISTIDINE PERMEASE FROM SALMONELLA TYPHIMURIUM | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, HISTIDINE PERMEASE | | Authors: | Hung, L.-W, Wang, I.X, Nikaido, K, Liu, P.-Q, Ames, G.F.-L, Kim, S.-H. | | Deposit date: | 1998-11-12 | | Release date: | 1999-11-17 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of the ATP-binding subunit of an ABC transporter.
Nature, 396, 1998
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3MH3
 | | Mutagenesis of p38 MAP kinase establishes key roles of Phe169 in function and structural dynamics and reveals a novel DFG-out state | | Descriptor: | Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | | Authors: | Namboodiri, H.V, Karpusas, M, Bukhtiyarova, M, Springman, E.B. | | Deposit date: | 2010-04-07 | | Release date: | 2010-04-21 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Mutagenesis of p38alpha MAP kinase establishes key roles of Phe169 in function and structural dynamics and reveals a novel DFG-OUT state.
Biochemistry, 46, 2007
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1B2T
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1B6U
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3MKB
 | | Crystal structure determination of Shortfin Mako (Isurus oxyrinchus) hemoglobin at 1.9 Angstrom resolution | | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Ramesh, P, Sundaresan, S.S, Sathya Moorthy, P, Balasubramanian, M, Ponnuswamy, M.N. | | Deposit date: | 2010-04-14 | | Release date: | 2011-01-26 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural studies of haemoglobin from pisces species shortfin mako shark (Isurus oxyrinchus) at 1.9 angstrom resolution
J.SYNCHROTRON RADIAT., 20, 2013
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3MH2
 | | Mutagenesis of p38 MAP kinase establishes key roles of Phe169 in function and structural dynamics and reveals a novel DFG-out state | | Descriptor: | Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | | Authors: | Namboodiri, H.V, Karpusas, M, Bukhtiyarova, M, Springman, E.B. | | Deposit date: | 2010-04-07 | | Release date: | 2010-04-21 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Mutagenesis of p38alpha MAP kinase establishes key roles of Phe169 in function and structural dynamics and reveals a novel DFG-OUT state.
Biochemistry, 46, 2007
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2JLD
 | | Extremely Tight Binding of Ruthenium Complex to Glycogen Synthase Kinase 3 | | Descriptor: | GLYCOGEN SYNTHASE KINASE-3 BETA, PEPTIDE (ALA-GLY-GLY-ALA-ALA-ALA-ALA-ALA), RUTHENIUM PYRIDOCARBAZOLE | | Authors: | Atilla-Gokcumen, G.E, Pagano, N, Streu, C, Maksimoska, J, Filippakopoulos, P, Knapp, S, Meggers, E. | | Deposit date: | 2008-09-08 | | Release date: | 2008-12-09 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Extremely Tight Binding of a Ruthenium Complex to Glycogen Synthase Kinase 3.
Chembiochem, 9, 2008
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1B5X
 | | Contribution of hydrogen bonds to the conformational stability of human lysozyme: calorimetry and x-ray analysis of six ser->ala mutants | | Descriptor: | PROTEIN (LYSOZYME), SODIUM ION | | Authors: | Takano, K, Yamagata, Y, Kubota, M, Funahashi, J, Fujii, S, Yutani, K. | | Deposit date: | 1999-01-11 | | Release date: | 1999-01-20 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Contribution of hydrogen bonds to the conformational stability of human lysozyme: calorimetry and X-ray analysis of six Ser --> Ala mutants.
Biochemistry, 38, 1999
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7E25
 | | Crystal structure of human FABP7 complexed with palmitic acid | | Descriptor: | Fatty acid-binding protein, brain, GLYCEROL, ... | | Authors: | Nam, K.H. | | Deposit date: | 2021-02-04 | | Release date: | 2021-07-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of human brain-type fatty acid-binding protein FABP7 complexed with palmitic acid.
Acta Crystallogr D Struct Biol, 77, 2021
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2JRS
 | | Solution NMR Structure of CAPER RRM2 Domain. Northeast Structural Genomics Target HR4730A | | Descriptor: | RNA-binding protein 39 | | Authors: | Rossi, P, Zhao, L, Nwosu, C, Cunningham, K, Owens, L, Xiao, R, Liu, J, Baran, M.C, Swapna, G, Acton, T.B, Rost, B, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2007-06-28 | | Release date: | 2007-09-04 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution NMR Structure of CAPER RRM2 Domain.
To be Published
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2JUV
 | | AbaA3-DKP-insulin | | Descriptor: | Insulin A chain, Insulin B chain | | Authors: | Huang, K, Chan, S, Hua, Q, Chu, Y, Wang, R, Klaproth, B, Jia, W, Whittaker, J, De Meyts, P, Nakagawa, S.H, Steiner, D.F, Katsoyannis, P.G, Weiss, M.A. | | Deposit date: | 2007-09-05 | | Release date: | 2007-10-16 | | Last modified: | 2021-10-20 | | Method: | SOLUTION NMR | | Cite: | The A-chain of Insulin Contacts the Insert Domain of the Insulin Receptor: PHOTO-CROSS-LINKING AND MUTAGENESIS OF A DIABETES-RELATED CREVICE.
J.Biol.Chem., 282, 2007
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3MM4
 | | Crystal structure of the receiver domain of the histidine kinase CKI1 from Arabidopsis thaliana | | Descriptor: | Histidine kinase homolog | | Authors: | Marek, J, Klumpler, T, Pekarova, B, Triskova, O, Horak, J, Zidek, L, Dopitova, R, Hejatko, J, Janda, L. | | Deposit date: | 2010-04-19 | | Release date: | 2011-04-13 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure and binding specificity of the receiver domain of sensor histidine kinase CKI1 from Arabidopsis thaliana.
Plant J., 67, 2011
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3MNB
 | | Investigation of global and local effects of radiation damage on porcine pancreatic elastase. First stage of radiation damage | | Descriptor: | Chymotrypsin-like elastase family member 1, SODIUM ION, SULFATE ION | | Authors: | Petrova, T, Ginell, S, Kim, Y, Joachimiak, G, Joachimiak, A. | | Deposit date: | 2010-04-21 | | Release date: | 2010-05-05 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.198 Å) | | Cite: | X-ray-induced deterioration of disulfide bridges at atomic resolution.
Acta Crystallogr.,Sect.D, 66, 2010
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1BB4
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