1AVD
 
 | | THREE-DIMENSIONAL STRUCTURE OF THE TETRAGONAL CRYSTAL FORM OF EGG-WHITE AVIDIN IN ITS FUNCTIONAL COMPLEX WITH BIOTIN AT 2.7 ANGSTROMS RESOLUTION | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, AVIDIN, BIOTIN | | Authors: | Pugliese, L, Coda, A, Malcovati, M, Bolognesi, M. | | Deposit date: | 1993-03-05 | | Release date: | 1994-01-31 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Three-dimensional structure of the tetragonal crystal form of egg-white avidin in its functional complex with biotin at 2.7 A resolution.
J.Mol.Biol., 231, 1993
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7NSD
 | | Triphosphate tunnel metalloenzyme from Sulfolobus acidocaldarius in complex with ATP and calcium | | Descriptor: | ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, ... | | Authors: | Vogt, M.S, Essen, L.-O, Banerjee, A. | | Deposit date: | 2021-03-05 | | Release date: | 2021-06-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | The archaeal triphosphate tunnel metalloenzyme SaTTM defines structural determinants for the diverse activities in the CYTH protein family.
J.Biol.Chem., 297, 2021
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7NSA
 | | Triphosphate tunnel metalloenzyme from Sulfolobus acidocaldarius in complex with pyrophosphate and calcium | | Descriptor: | ACETATE ION, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Vogt, M.S, Essen, L.-O, Banerjee, A. | | Deposit date: | 2021-03-05 | | Release date: | 2021-06-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | The archaeal triphosphate tunnel metalloenzyme SaTTM defines structural determinants for the diverse activities in the CYTH protein family.
J.Biol.Chem., 297, 2021
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7OA2
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7NS8
 | | Triphosphate tunnel metalloenzyme from Sulfolobus acidocaldarius | | Descriptor: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, SULFATE ION, Triphosphate tunnel metalloenzyme Saci_0718 | | Authors: | Vogt, M.S, Essen, L.-O, Banerjee, A. | | Deposit date: | 2021-03-05 | | Release date: | 2021-06-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The archaeal triphosphate tunnel metalloenzyme SaTTM defines structural determinants for the diverse activities in the CYTH protein family.
J.Biol.Chem., 297, 2021
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7NSF
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1B7Q
 | | VERIFICATION OF SPMP USING MUTANT HUMAN LYSOZYMES | | Descriptor: | PROTEIN (LYSOZYME), SODIUM ION | | Authors: | Takano, K, Ota, M, Ogasahara, K, Yamagata, Y, Nishikawa, K, Yutani, K. | | Deposit date: | 1999-01-25 | | Release date: | 1999-02-02 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Experimental verification of the 'stability profile of mutant protein' (SPMP) data using mutant human lysozymes.
Protein Eng., 12, 1999
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1B7M
 | | VERIFICATION OF SPMP USING MUTANT HUMAN LYSOZYMES | | Descriptor: | PROTEIN (LYSOZYME), SODIUM ION | | Authors: | Takano, K, Ota, M, Ogasahara, K, Yamagata, Y, Nishikawa, K, Yutani, K. | | Deposit date: | 1999-01-24 | | Release date: | 1999-01-27 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Experimental verification of the 'stability profile of mutant protein' (SPMP) data using mutant human lysozymes.
Protein Eng., 12, 1999
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5J5O
 | | Translation initiation factor 4E in complex with m7GppppG mRNA 5' cap analog | | Descriptor: | 5'-O-[(R)-hydroxy{[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]-7-methylguanosine, Eukaryotic translation initiation factor 4E, GLYCEROL | | Authors: | Warminski, M, Nowak, E, Rydzik, A.M, Kowalska, J, Jemielity, J, Nowotny, M. | | Deposit date: | 2016-04-03 | | Release date: | 2017-05-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.867 Å) | | Cite: | mRNA cap analogues substituted in the tetraphosphate chain with CX2: identification of O-to-CCl2 as the first bridging modification that confers resistance to decapping without impairing translation.
Nucleic Acids Res., 45, 2017
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1BXD
 | | NMR STRUCTURE OF THE HISTIDINE KINASE DOMAIN OF THE E. COLI OSMOSENSOR ENVZ | | Descriptor: | PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, PROTEIN (OSMOLARITY SENSOR PROTEIN (ENVZ)) | | Authors: | Tanaka, T, Saha, S.K, Tomomori, C, Ishima, R, Liu, D, Tong, K.I, Park, H, Dutta, R, Qin, L, Swindells, M.B, Yamazaki, T, Ono, A.M, Kainosho, M, Inouye, M, Ikura, M. | | Deposit date: | 1998-10-02 | | Release date: | 1999-10-02 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | NMR structure of the histidine kinase domain of the E. coli osmosensor EnvZ.
Nature, 396, 1998
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5C40
 | | Crystal structure of human ribokinase in complex with AMPPCP in P21 spacegroup | | Descriptor: | PHOSPHATE ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Ribokinase, ... | | Authors: | Park, J, Chakrabarti, J, Singh, B, Gupta, R.S, Junop, M.S. | | Deposit date: | 2015-06-17 | | Release date: | 2016-06-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of human ribokinase in complex with AMPPCP in P21 spacegroup
To Be Published
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7AMF
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7AMB
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7UD8
 | | Crystal structure of carbon monoxy Hemoglobin in complex with 5HMF at 1.8 Angstrom | | Descriptor: | (5-methylfuran-2-yl)methanol, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | Authors: | Donkor, A.K, Musayev, F.N, Safo, M.S. | | Deposit date: | 2022-03-18 | | Release date: | 2022-03-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Design, Synthesis, and Antisickling Investigation of a Nitric Oxide-Releasing Prodrug of 5HMF for the Treatment of Sickle Cell Disease.
Biomolecules, 12, 2022
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6UJ8
 | | Crystal structure of HLA-B*07:02 with wild-type IDH2 peptide | | Descriptor: | Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, HLA class I histocompatibility antigen, ... | | Authors: | Miller, M.S, Thirawatananond, P, Gabelli, S.B. | | Deposit date: | 2019-10-02 | | Release date: | 2021-05-05 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural engineering of chimeric antigen receptors targeting HLA-restricted neoantigens.
Nat Commun, 12, 2021
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6UJ9
 | | Crystal structure of HLA-B*07:02 with R140Q mutant IDH2 peptide in complex with Fab | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Miller, M.S, Thirawatananond, P, Aytenfisu, T.Y, Wright, K, Gabelli, S.B. | | Deposit date: | 2019-10-02 | | Release date: | 2021-05-05 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural engineering of chimeric antigen receptors targeting HLA-restricted neoantigens.
Nat Commun, 12, 2021
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6UJ7
 | | Crystal structure of HLA-B*07:02 with R140Q mutant IDH2 peptide | | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-7 alpha chain, ... | | Authors: | Miller, M.S, Thirawatananond, P, Gabelli, S.B. | | Deposit date: | 2019-10-02 | | Release date: | 2021-05-05 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural engineering of chimeric antigen receptors targeting HLA-restricted neoantigens.
Nat Commun, 12, 2021
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1BQE
 | | FERREDOXIN:NADP+ REDUCTASE MUTANT WITH THR 155 REPLACED BY GLY (T155G) | | Descriptor: | FERREDOXIN--NADP REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION | | Authors: | Hermoso, J.A, Mayoral, T, Medina, M, Martinez-Ripoll, M, Martinez-Julvez, M, Sanz-Aparicio, J, Gomez-Moreno, C. | | Deposit date: | 1998-08-14 | | Release date: | 2002-02-27 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Probing the determinants of coenzyme specificity in ferredoxin-NADP+ reductase by site-directed mutagenesis.
J.Biol.Chem., 276, 2001
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8JJS
 | | Human K-Ras G12D (GDP-bound) in complex with cyclic peptide inhibitor AP10343 | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, MAA-ILE-SAR-SAR-7T2-SAR-IAE-LEU-MEA-MLE-7TK, ... | | Authors: | Irie, M, Fukami, T.A, Tanada, M, Ohta, A, Torizawa, T. | | Deposit date: | 2023-05-31 | | Release date: | 2023-07-26 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.534 Å) | | Cite: | Development of Orally Bioavailable Peptides Targeting an Intracellular Protein: From a Hit to a Clinical KRAS Inhibitor.
J.Am.Chem.Soc., 145, 2023
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5JU6
 | | Structural and Functional Studies of Glycoside Hydrolase Family 3 beta-Glucosidase Cel3A from the Moderately Thermophilic Fungus Rasamsonia emersonii | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-glucosidase, ... | | Authors: | Gudmundsson, M, Sandgren, M, Karkehabadi, S. | | Deposit date: | 2016-05-10 | | Release date: | 2016-07-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural and functional studies of the glycoside hydrolase family 3 beta-glucosidase Cel3A from the moderately thermophilic fungus Rasamsonia emersonii.
Acta Crystallogr D Struct Biol, 72, 2016
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1BL1
 | | PTH RECEPTOR N-TERMINUS FRAGMENT, NMR, 1 STRUCTURE | | Descriptor: | PARATHYROID HORMONE RECEPTOR | | Authors: | Pellegrini, M, Bisello, A, Rosenblatt, M, Chorev, M, Mierke, D.F. | | Deposit date: | 1998-07-22 | | Release date: | 1999-03-30 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Binding domain of human parathyroid hormone receptor: from conformation to function.
Biochemistry, 37, 1998
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1B7O
 | | VERIFICATION OF SPMP USING MUTANT HUMAN LYSOZYMES | | Descriptor: | PROTEIN (LYSOZYME), SODIUM ION | | Authors: | Takano, K, Ota, M, Ogasahara, K, Yamagata, Y, Nishikawa, K, Yutani, K. | | Deposit date: | 1999-01-25 | | Release date: | 1999-02-02 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Experimental verification of the 'stability profile of mutant protein' (SPMP) data using mutant human lysozymes.
Protein Eng., 12, 1999
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8GZC
 | | Crystal structure of EP300 HAT domain in complex with compound 10 | | Descriptor: | (2~{R},4~{R})-4-fluoranyl-1-[1-(4-methoxyphenyl)cyclohexyl]carbonyl-~{N}-(1~{H}-pyrazolo[4,3-b]pyridin-5-yl)pyrrolidine-2-carboxamide, Histone acetyltransferase p300, ZINC ION | | Authors: | Takahashi, M, Hanzawa, H. | | Deposit date: | 2022-09-26 | | Release date: | 2023-01-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of DS-9300: A Highly Potent, Selective, and Once-Daily Oral EP300/CBP Histone Acetyltransferase Inhibitor.
J.Med.Chem., 66, 2023
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5KH3
 | | Crystal structure of fragment (3-(5-Chloro-1,3-benzothiazol-2-yl)propanoic acid) bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain | | Descriptor: | 3-(5-chloranyl-1,3-benzothiazol-2-yl)propanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ... | | Authors: | Harding, R.J, Dong, A, Ravichandran, M, Ferreira de Freitas, R, Schapira, M, Bountra, C, Edwards, A.M, Santhakumar, V, Arrowsmith, C.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-06-14 | | Release date: | 2016-07-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Small Molecule Antagonists of the Interaction between the Histone Deacetylase 6 Zinc-Finger Domain and Ubiquitin.
J. Med. Chem., 60, 2017
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5K32
 | | PDE4D crystal structure in complex with small molecule inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 4-[(3-methoxyphenyl)amino]-2-phenyl-7,8-dihydro-1,6-naphthyridin-5(6H)-one, MAGNESIUM ION, ... | | Authors: | Segarra, V, Hernandez, B, Roberts, R, Gracia, J, Soler, M, Bonin, I, Aymami, J. | | Deposit date: | 2016-05-19 | | Release date: | 2017-03-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | 4-Amino-7,8-dihydro-1,6-naphthyridin-5(6 H)-ones as Inhaled Phosphodiesterase Type 4 (PDE4) Inhibitors: Structural Biology and Structure-Activity Relationships.
J. Med. Chem., 61, 2018
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