2LBV
 
 | | Siderocalin Q83 reveals a dual ligand binding mode | | 分子名称: | ARACHIDONIC ACID, Extracellular fatty acid-binding protein, GALLIUM (III) ION, ... | | 著者 | Coudevylle, N, Hoetzinger, M, Geist, L, Kontaxis, G, Bister, K, Konrat, R. | | 登録日 | 2011-04-07 | | 公開日 | 2012-02-22 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Lipocalin Q83 reveals a dual ligand binding mode with potential implications for the functions of siderocalins
Biochemistry, 50, 2011
|
|
1IEX
 | | Crystal structure of barley beta-D-glucan glucohydrolase isoenzyme Exo1 in complex with 4I,4III,4V-S-trithiocellohexaose | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-D-GLUCAN GLUCOHYDROLASE ISOENZYME EXO1, ... | | 著者 | Hrmova, M, DeGori, R, Fincher, G.B, Smith, B.J, Driguez, H, Varghese, J.N. | | 登録日 | 2001-04-11 | | 公開日 | 2001-11-14 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Catalytic mechanisms and reaction intermediates along the hydrolytic pathway of a plant beta-D-glucan glucohydrolase.
Structure, 9, 2001
|
|
6XQ6
 | | Receptor for Advanced Glycation End Products VC1 domain in complex with Fragment 11 | | 分子名称: | 3-phenoxyphenol, ACETATE ION, Advanced glycosylation end product-specific receptor, ... | | 著者 | Salay, L.E, Kozlyuk, N, Gilston, B.A, Gogliotti, R.D, Christov, P.P, Kim, K, Ovee, M, Waterson, A.G, Chazin, W.J. | | 登録日 | 2020-07-09 | | 公開日 | 2021-07-14 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | A fragment-based approach to discovery of Receptor for Advanced Glycation End products inhibitors.
Proteins, 89, 2021
|
|
5J05
 | |
6XQ3
 | | Receptor for Advanced Glycation End Products VC1 domain in complex with 3-(3-(((3-(4-Carboxyphenoxy)benzyl)oxy)methyl)phenyl)-1H-indole-2-carboxylic acid | | 分子名称: | 3-(3-{[3-(4-carboxyphenoxy)phenyl]methoxy}phenyl)-1H-indole-2-carboxylic acid, ACETATE ION, Advanced glycosylation end product-specific receptor, ... | | 著者 | Salay, L.E, Kozlyuk, N, Gilston, B.A, Gogliotti, R.D, Christov, P.P, Kim, K, Ovee, M, Waterson, A.G, Chazin, W.J. | | 登録日 | 2020-07-09 | | 公開日 | 2021-07-14 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | | 主引用文献 | A fragment-based approach to discovery of Receptor for Advanced Glycation End products inhibitors.
Proteins, 89, 2021
|
|
2Z6T
 | | Crystal structure of the ferric peroxo myoglobin | | 分子名称: | Myoglobin, PEROXIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Unno, M, Kusama, S, Chen, H, Shaik, S, Ikeda-Saito, M. | | 登録日 | 2007-08-08 | | 公開日 | 2007-11-06 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Structural Characterization of the Fleeting Ferric Peroxo Species in Myoglobin: Experiment and Theory
J.Am.Chem.Soc., 129, 2007
|
|
1IMO
 | |
6XQ8
 | | Receptor for Advanced Glycation End Products VC1 domain in complex with Fragments 1 & 11 | | 分子名称: | 3-phenoxyphenol, 7-methyl-3-phenyl-1H-indole-2-carboxylic acid, ACETATE ION, ... | | 著者 | Salay, L.E, Kozlyuk, N, Gilston, B.A, Gogliotti, R.D, Christov, P.P, Kim, K, Ovee, M, Waterson, A.G, Chazin, W.J. | | 登録日 | 2020-07-09 | | 公開日 | 2021-07-14 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | A fragment-based approach to discovery of Receptor for Advanced Glycation End products inhibitors.
Proteins, 89, 2021
|
|
2ZLU
 | | Horse methemoglobin high salt, pH 7.0 (88% relative humidity) | | 分子名称: | Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Kaushal, P.S, Sankaranarayanan, R, Vijayan, M. | | 登録日 | 2008-04-10 | | 公開日 | 2008-06-24 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Water-mediated variability in the structure of relaxed-state haemoglobin
Acta Crystallogr.,Sect.F, 64, 2008
|
|
6XQ5
 | | Receptor for Advanced Glycation End Products VC1 domain in complex with Fragment 1 | | 分子名称: | 7-methyl-3-phenyl-1H-indole-2-carboxylic acid, ACETATE ION, Advanced glycosylation end product-specific receptor, ... | | 著者 | Salay, L.E, Kozlyuk, N, Gilston, B.A, Gogliotti, R.D, Christov, P.P, Kim, K, Ovee, M, Waterson, A.G, Chazin, W.J. | | 登録日 | 2020-07-09 | | 公開日 | 2021-07-14 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | A fragment-based approach to discovery of Receptor for Advanced Glycation End products inhibitors.
Proteins, 89, 2021
|
|
2ZLX
 | | Horse methemoglobin high salt, pH 7.0 (66% relative humidity) | | 分子名称: | Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Kaushal, P.S, Sankaranarayanan, R, Vijayan, M. | | 登録日 | 2008-04-10 | | 公開日 | 2008-06-24 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Water-mediated variability in the structure of relaxed-state haemoglobin
Acta Crystallogr.,Sect.F, 64, 2008
|
|
5JN2
 | | Crystal structure of TgCDPK1 bound to NVPACU106 | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, Calmodulin-domain protein kinase 1, ... | | 著者 | El Bakkouri, M, Walker, J.R, Loppnau, P, Graslund, S, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Hui, R, Lovato, D.V, Structural Genomics Consortium (SGC) | | 登録日 | 2016-04-29 | | 公開日 | 2016-05-25 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Crystal structure of TgCDPK1 bound to NVPACU106
To Be Published
|
|
8JTN
 | | Tudor domain of TDRD3 in complex with a small molecule | | 分子名称: | 2-propyl-2-azoniatricyclo[7.3.0.0^{3,7}]dodeca-1(9),2,7-trien-8-amine, Tudor domain-containing protein 3 | | 著者 | Chen, M, Wang, Z, Li, W, Shang, X, Liu, Y. | | 登録日 | 2023-06-22 | | 公開日 | 2023-08-09 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal structure of Tudor domain of TDRD3 in complex with a small molecule antagonist.
Biochim Biophys Acta Gene Regul Mech, 1866, 2023
|
|
6XQ7
 | | Receptor for Advanced Glycation End Products VC1 domain in complex with Fragment 5 | | 分子名称: | 5-bromo-3-methyl-1H-indole-2-carboxylic acid, ACETATE ION, Advanced glycosylation end product-specific receptor, ... | | 著者 | Salay, L.E, Kozlyuk, N, Gilston, B.A, Gogliotti, R.D, Christov, P.P, Kim, K, Ovee, M, Waterson, A.G, Chazin, W.J. | | 登録日 | 2020-07-09 | | 公開日 | 2021-07-14 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | A fragment-based approach to discovery of Receptor for Advanced Glycation End products inhibitors.
Proteins, 89, 2021
|
|
5FAP
 | | CTX-M-15 in complex with FPI-1602 | | 分子名称: | Beta-lactamase, [[(3~{R},6~{S})-6-[(azetidin-3-ylcarbonylamino)carbamoyl]-1-methanoyl-piperidin-3-yl]amino] hydrogen sulfate | | 著者 | King, A.M, King, D.T, French, S, Brouillette, E, Asli, A, Alexander, A.N, Vuckovic, M, Maiti, S.N, Parr, T.R, Brown, E.D, Malouin, F, Strynadka, N.C.J, Wright, G.D. | | 登録日 | 2015-12-11 | | 公開日 | 2016-01-20 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structural and Kinetic Characterization of Diazabicyclooctanes as Dual Inhibitors of Both Serine-beta-Lactamases and Penicillin-Binding Proteins.
Acs Chem.Biol., 11, 2016
|
|
5J1B
 | | structure of the core domaine of Knr4, an intrinsically disordered protein from Saccharomyces cerevisiae - WT. | | 分子名称: | Cell wall assembly regulator SMI1 | | 著者 | Maveyraud, L, Batista, M, Martin-yken, H, Francois, J.M, Zerbib, D, Mourey, L. | | 登録日 | 2016-03-29 | | 公開日 | 2017-04-05 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural and biophysical characterization of Knr4, an intrinsically disordered hub protein form Saccharomyces cerevisiae
To Be Published
|
|
5J1O
 | | Excited state (Bound-like) sampled during RDC restrained Replica-averaged Metadynamics (RAM) simulations of the HIV-1 TAR complexed with cyclic peptide mimetic of Tat | | 分子名称: | Apical region (29mer) of the HIV-1 TAR element, Cyclic peptide mimetic of Tat | | 著者 | Borkar, A.N, Bardaro, M.F, Varani, G, Vendruscolo, M. | | 登録日 | 2016-03-29 | | 公開日 | 2016-06-08 | | 最終更新日 | 2019-10-23 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structure of a low-population binding intermediate in protein-RNA recognition.
Proc.Natl.Acad.Sci.USA, 113, 2016
|
|
8JW4
 | |
5J1Y
 | | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with 1-(pyrrolidin-1-yl)-3-(tetrahydrofuran-3-yl)propan-1-one at 1.81A resolution | | 分子名称: | 3-[(3S)-oxolan-3-yl]-1-(pyrrolidin-1-yl)propan-1-one, EthR | | 著者 | Blaszczyk, M, Surade, S, Nikiforov, P.O, Abell, C, Blundell, T.L. | | 登録日 | 2016-03-29 | | 公開日 | 2017-04-05 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | Fragment-Sized EthR Inhibitors Exhibit Exceptionally Strong Ethionamide Boosting Effect in Whole-Cell Mycobacterium tuberculosis Assays.
ACS Chem. Biol., 12, 2017
|
|
7R4K
 | | Crystal structure of human mitochondrial NAD kinase | | 分子名称: | MAGNESIUM ION, NAD kinase 2, mitochondrial, ... | | 著者 | Labesse, G, Mary, C, Gelin, M, Lionne, C. | | 登録日 | 2022-02-08 | | 公開日 | 2022-07-06 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (3.33 Å) | | 主引用文献 | Crystal structure of human NADK2 reveals a dimeric organization and active site occlusion by lysine acetylation.
Mol.Cell, 82, 2022
|
|
5ITU
 | | Crystal Structure of Human NEIL1(242K) bound to duplex DNA containing THF | | 分子名称: | DNA (5'-D(*CP*GP*TP*CP*CP*AP*CP*GP*TP*CP*TP*AP*C)-3'), DNA (5'-D(*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*G)-3'), Endonuclease 8-like 1 | | 著者 | Zhu, C, Lu, L, Zhang, J, Yue, Z, Song, J, Zong, S, Liu, M, Stovicek, O, Gao, Y, Yi, C. | | 登録日 | 2016-03-17 | | 公開日 | 2016-07-06 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | | 主引用文献 | Tautomerization-dependent recognition and excision of oxidation damage in base-excision DNA repair
Proc.Natl.Acad.Sci.USA, 113, 2016
|
|
5FV6
 | | KpFlo11 presents a novel member of the Flo11 family with a unique recognition pattern for homophilic interactions | | 分子名称: | ACETATE ION, Flocculation protein FLO11, GLYCEROL, ... | | 著者 | Kraushaar, T, Brueckner, S, Mikolaiski, M, Schreiner, F, Veelders, M, Moesch, H.U, Essen, L.O. | | 登録日 | 2016-02-03 | | 公開日 | 2017-02-22 | | 最終更新日 | 2021-06-30 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Kin discrimination in social yeast is mediated by cell surface receptors of the Flo11 adhesin family.
Elife, 9, 2020
|
|
5ITT
 | | Crystal Structure of Human NEIL1 bound to duplex DNA containing THF | | 分子名称: | DNA (26-MER), Endonuclease 8-like 1, GLYCEROL | | 著者 | Zhu, C, Lu, L, Zhang, J, Yue, Z, Song, J, Zong, S, Liu, M, Stovicek, O, Gao, Y, Yi, C. | | 登録日 | 2016-03-17 | | 公開日 | 2016-07-06 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | | 主引用文献 | Tautomerization-dependent recognition and excision of oxidation damage in base-excision DNA repair
Proc.Natl.Acad.Sci.USA, 113, 2016
|
|
7R4J
 | | Crystal structure of human mitochondrial NAD kinase | | 分子名称: | CALCIUM ION, NAD kinase 2, mitochondrial | | 著者 | Labesse, G, Mary, C, Gelin, M, Lionne, C. | | 登録日 | 2022-02-08 | | 公開日 | 2022-07-06 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | | 主引用文献 | Crystal structure of human NADK2 reveals a dimeric organization and active site occlusion by lysine acetylation.
Mol.Cell, 82, 2022
|
|
1J8N
 | | Solution structure of beta3-analogue peptide corresponding to the gp41 600-612 loop of HIV. | | 分子名称: | HIV1 GP41 HSER analogue peptide Ace-Ile-Trp-Gly-Cys-beta3Ser-Gly-Lys-Leu-Ile-Cys-Thr-Thr-Ala | | 著者 | Phan Chan Du, A, Limal, D, Semetey, V, Dali, H, Jolivet, M, Desgranges, C, Cung, M.T, Briand, J.P, Petit, M.C, Muller, S. | | 登録日 | 2001-05-22 | | 公開日 | 2003-07-01 | | 最終更新日 | 2023-11-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structural and immunological characterisation of heteroclitic peptide analogues corresponding to the 600-612 region of the HIV envelope gp41 glycoprotein.
J.Mol.Biol., 323, 2002
|
|
