2LBV
| Siderocalin Q83 reveals a dual ligand binding mode | Descriptor: | ARACHIDONIC ACID, Extracellular fatty acid-binding protein, GALLIUM (III) ION, ... | Authors: | Coudevylle, N, Hoetzinger, M, Geist, L, Kontaxis, G, Bister, K, Konrat, R. | Deposit date: | 2011-04-07 | Release date: | 2012-02-22 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Lipocalin Q83 reveals a dual ligand binding mode with potential implications for the functions of siderocalins Biochemistry, 50, 2011
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1IEX
| Crystal structure of barley beta-D-glucan glucohydrolase isoenzyme Exo1 in complex with 4I,4III,4V-S-trithiocellohexaose | Descriptor: | 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, ... | Authors: | Hrmova, M, DeGori, R, Fincher, G.B, Smith, B.J, Driguez, H, Varghese, J.N. | Deposit date: | 2001-04-11 | Release date: | 2001-11-14 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Catalytic mechanisms and reaction intermediates along the hydrolytic pathway of a plant beta-D-glucan glucohydrolase. Structure, 9, 2001
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6XQ6
| Receptor for Advanced Glycation End Products VC1 domain in complex with Fragment 11 | Descriptor: | 3-phenoxyphenol, ACETATE ION, Advanced glycosylation end product-specific receptor, ... | Authors: | Salay, L.E, Kozlyuk, N, Gilston, B.A, Gogliotti, R.D, Christov, P.P, Kim, K, Ovee, M, Waterson, A.G, Chazin, W.J. | Deposit date: | 2020-07-09 | Release date: | 2021-07-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A fragment-based approach to discovery of Receptor for Advanced Glycation End products inhibitors. Proteins, 89, 2021
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5J05
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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 | Descriptor: | 3-(3-{[3-(4-carboxyphenoxy)phenyl]methoxy}phenyl)-1H-indole-2-carboxylic acid, ACETATE ION, Advanced glycosylation end product-specific receptor, ... | Authors: | Salay, L.E, Kozlyuk, N, Gilston, B.A, Gogliotti, R.D, Christov, P.P, Kim, K, Ovee, M, Waterson, A.G, Chazin, W.J. | Deposit date: | 2020-07-09 | Release date: | 2021-07-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | A fragment-based approach to discovery of Receptor for Advanced Glycation End products inhibitors. Proteins, 89, 2021
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2Z6T
| Crystal structure of the ferric peroxo myoglobin | Descriptor: | Myoglobin, PEROXIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Unno, M, Kusama, S, Chen, H, Shaik, S, Ikeda-Saito, M. | Deposit date: | 2007-08-08 | Release date: | 2007-11-06 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structural Characterization of the Fleeting Ferric Peroxo Species in Myoglobin: Experiment and Theory J.Am.Chem.Soc., 129, 2007
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1IMO
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6XQ8
| Receptor for Advanced Glycation End Products VC1 domain in complex with Fragments 1 & 11 | Descriptor: | 3-phenoxyphenol, 7-methyl-3-phenyl-1H-indole-2-carboxylic acid, ACETATE ION, ... | Authors: | Salay, L.E, Kozlyuk, N, Gilston, B.A, Gogliotti, R.D, Christov, P.P, Kim, K, Ovee, M, Waterson, A.G, Chazin, W.J. | Deposit date: | 2020-07-09 | Release date: | 2021-07-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | A fragment-based approach to discovery of Receptor for Advanced Glycation End products inhibitors. Proteins, 89, 2021
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2ZLU
| Horse methemoglobin high salt, pH 7.0 (88% relative humidity) | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Kaushal, P.S, Sankaranarayanan, R, Vijayan, M. | Deposit date: | 2008-04-10 | Release date: | 2008-06-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Water-mediated variability in the structure of relaxed-state haemoglobin Acta Crystallogr.,Sect.F, 64, 2008
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6XQ5
| Receptor for Advanced Glycation End Products VC1 domain in complex with Fragment 1 | Descriptor: | 7-methyl-3-phenyl-1H-indole-2-carboxylic acid, ACETATE ION, Advanced glycosylation end product-specific receptor, ... | Authors: | Salay, L.E, Kozlyuk, N, Gilston, B.A, Gogliotti, R.D, Christov, P.P, Kim, K, Ovee, M, Waterson, A.G, Chazin, W.J. | Deposit date: | 2020-07-09 | Release date: | 2021-07-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A fragment-based approach to discovery of Receptor for Advanced Glycation End products inhibitors. Proteins, 89, 2021
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2ZLX
| Horse methemoglobin high salt, pH 7.0 (66% relative humidity) | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Kaushal, P.S, Sankaranarayanan, R, Vijayan, M. | Deposit date: | 2008-04-10 | Release date: | 2008-06-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Water-mediated variability in the structure of relaxed-state haemoglobin Acta Crystallogr.,Sect.F, 64, 2008
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8JTN
| Tudor domain of TDRD3 in complex with a small molecule | Descriptor: | 2-propyl-2-azoniatricyclo[7.3.0.0^{3,7}]dodeca-1(9),2,7-trien-8-amine, Tudor domain-containing protein 3 | Authors: | Chen, M, Wang, Z, Li, W, Shang, X, Liu, Y. | Deposit date: | 2023-06-22 | Release date: | 2023-08-09 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of Tudor domain of TDRD3 in complex with a small molecule antagonist. Biochim Biophys Acta Gene Regul Mech, 1866, 2023
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5JN2
| Crystal structure of TgCDPK1 bound to NVPACU106 | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Calmodulin-domain protein kinase 1, ... | Authors: | 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) | Deposit date: | 2016-04-29 | Release date: | 2016-05-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of TgCDPK1 bound to NVPACU106 To Be Published
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6XQ7
| Receptor for Advanced Glycation End Products VC1 domain in complex with Fragment 5 | Descriptor: | 5-bromo-3-methyl-1H-indole-2-carboxylic acid, ACETATE ION, Advanced glycosylation end product-specific receptor, ... | Authors: | Salay, L.E, Kozlyuk, N, Gilston, B.A, Gogliotti, R.D, Christov, P.P, Kim, K, Ovee, M, Waterson, A.G, Chazin, W.J. | Deposit date: | 2020-07-09 | Release date: | 2021-07-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A fragment-based approach to discovery of Receptor for Advanced Glycation End products inhibitors. Proteins, 89, 2021
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5FAP
| CTX-M-15 in complex with FPI-1602 | Descriptor: | Beta-lactamase, [[(3~{R},6~{S})-6-[(azetidin-3-ylcarbonylamino)carbamoyl]-1-methanoyl-piperidin-3-yl]amino] hydrogen sulfate | Authors: | 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. | Deposit date: | 2015-12-11 | Release date: | 2016-01-20 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural and Kinetic Characterization of Diazabicyclooctanes as Dual Inhibitors of Both Serine-beta-Lactamases and Penicillin-Binding Proteins. Acs Chem.Biol., 11, 2016
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5J1B
| structure of the core domaine of Knr4, an intrinsically disordered protein from Saccharomyces cerevisiae - WT. | Descriptor: | Cell wall assembly regulator SMI1 | Authors: | Maveyraud, L, Batista, M, Martin-yken, H, Francois, J.M, Zerbib, D, Mourey, L. | Deposit date: | 2016-03-29 | Release date: | 2017-04-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural and biophysical characterization of Knr4, an intrinsically disordered hub protein form Saccharomyces cerevisiae To Be Published
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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 | Descriptor: | Apical region (29mer) of the HIV-1 TAR element, Cyclic peptide mimetic of Tat | Authors: | Borkar, A.N, Bardaro, M.F, Varani, G, Vendruscolo, M. | Deposit date: | 2016-03-29 | Release date: | 2016-06-08 | Last modified: | 2019-10-23 | Method: | SOLUTION NMR | Cite: | Structure of a low-population binding intermediate in protein-RNA recognition. Proc.Natl.Acad.Sci.USA, 113, 2016
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8JW4
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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 | Descriptor: | 3-[(3S)-oxolan-3-yl]-1-(pyrrolidin-1-yl)propan-1-one, EthR | Authors: | Blaszczyk, M, Surade, S, Nikiforov, P.O, Abell, C, Blundell, T.L. | Deposit date: | 2016-03-29 | Release date: | 2017-04-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Fragment-Sized EthR Inhibitors Exhibit Exceptionally Strong Ethionamide Boosting Effect in Whole-Cell Mycobacterium tuberculosis Assays. ACS Chem. Biol., 12, 2017
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7R4K
| Crystal structure of human mitochondrial NAD kinase | Descriptor: | MAGNESIUM ION, NAD kinase 2, mitochondrial, ... | Authors: | Labesse, G, Mary, C, Gelin, M, Lionne, C. | Deposit date: | 2022-02-08 | Release date: | 2022-07-06 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.33 Å) | Cite: | Crystal structure of human NADK2 reveals a dimeric organization and active site occlusion by lysine acetylation. Mol.Cell, 82, 2022
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5ITU
| Crystal Structure of Human NEIL1(242K) bound to duplex DNA containing THF | Descriptor: | 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 | Authors: | Zhu, C, Lu, L, Zhang, J, Yue, Z, Song, J, Zong, S, Liu, M, Stovicek, O, Gao, Y, Yi, C. | Deposit date: | 2016-03-17 | Release date: | 2016-07-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Tautomerization-dependent recognition and excision of oxidation damage in base-excision DNA repair Proc.Natl.Acad.Sci.USA, 113, 2016
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5FV6
| KpFlo11 presents a novel member of the Flo11 family with a unique recognition pattern for homophilic interactions | Descriptor: | ACETATE ION, Flocculation protein FLO11, GLYCEROL, ... | Authors: | Kraushaar, T, Brueckner, S, Mikolaiski, M, Schreiner, F, Veelders, M, Moesch, H.U, Essen, L.O. | Deposit date: | 2016-02-03 | Release date: | 2017-02-22 | Last modified: | 2021-06-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Kin discrimination in social yeast is mediated by cell surface receptors of the Flo11 adhesin family. Elife, 9, 2020
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5ITT
| Crystal Structure of Human NEIL1 bound to duplex DNA containing THF | Descriptor: | DNA (26-MER), Endonuclease 8-like 1, GLYCEROL | Authors: | Zhu, C, Lu, L, Zhang, J, Yue, Z, Song, J, Zong, S, Liu, M, Stovicek, O, Gao, Y, Yi, C. | Deposit date: | 2016-03-17 | Release date: | 2016-07-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Tautomerization-dependent recognition and excision of oxidation damage in base-excision DNA repair Proc.Natl.Acad.Sci.USA, 113, 2016
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6XQ9
| Receptor for Advanced Glycation End Products VC1 domain in complex with Fragments 1 & 13 | Descriptor: | 4-(3-hydroxyphenoxy)benzoic acid, 7-methyl-3-phenyl-1H-indole-2-carboxylic acid, ACETATE ION, ... | Authors: | Salay, L.E, Kozlyuk, N, Gilston, B.A, Gogliotti, R.D, Christov, P.P, Kim, K, Ovee, M, Waterson, A.G, Chazin, W.J. | Deposit date: | 2020-07-09 | Release date: | 2021-07-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A fragment-based approach to discovery of Receptor for Advanced Glycation End products inhibitors. Proteins, 89, 2021
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1J8N
| Solution structure of beta3-analogue peptide corresponding to the gp41 600-612 loop of HIV. | Descriptor: | HIV1 GP41 HSER analogue peptide Ace-Ile-Trp-Gly-Cys-beta3Ser-Gly-Lys-Leu-Ile-Cys-Thr-Thr-Ala | Authors: | 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. | Deposit date: | 2001-05-22 | Release date: | 2003-07-01 | Last modified: | 2023-11-15 | Method: | SOLUTION NMR | Cite: | 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
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