1IL9
| STRUCTURE OF RICIN A CHAIN BOUND WITH INHIBITOR 8-METHYL-9-OXOGUANINE | Descriptor: | 5-AMINO-2-METHYL-6H-OXAZOLO[5,4-D]PYRIMIDIN-7-ONE, RICIN A CHAIN | Authors: | Miller, D.J, Ravikumar, K, Shen, H, Suh, J.-K, Kerwin, S.M, Robertus, J.D. | Deposit date: | 2001-05-07 | Release date: | 2002-01-16 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structure-based design and characterization of novel platforms for ricin and shiga toxin inhibition. J.Med.Chem., 45, 2002
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1IL3
| STRUCTURE OF RICIN A CHAIN BOUND WITH INHIBITOR 7-DEAZAGUANINE | Descriptor: | 7-DEAZAGUANINE, RICIN A CHAIN | Authors: | Miller, D.J, Ravikumar, K, Shen, H, Suh, J.-K, Kerwin, S.M, Robertus, J.D. | Deposit date: | 2001-05-07 | Release date: | 2002-01-16 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-based design and characterization of novel platforms for ricin and shiga toxin inhibition. J.Med.Chem., 45, 2002
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1IL4
| STRUCTURE OF RICIN A CHAIN BOUND WITH INHIBITOR 9-DEAZAGUANINE | Descriptor: | 9-DEAZAGUANINE, RICIN A CHAIN | Authors: | Miller, D.J, Ravikumar, K, Shen, H, Suh, J.-K, Kerwin, S.M, Robertus, J.D. | Deposit date: | 2001-05-07 | Release date: | 2002-01-16 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure-based design and characterization of novel platforms for ricin and shiga toxin inhibition. J.Med.Chem., 45, 2002
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1IL5
| STRUCTURE OF RICIN A CHAIN BOUND WITH INHIBITOR 2,5-DIAMINO-4,6-DIHYDROXYPYRIMIDINE (DDP) | Descriptor: | 2,4-DIAMINO-4,6-DIHYDROXYPYRIMIDINE, RICIN A CHAIN | Authors: | Miller, D.J, Ravikumar, K, Shen, H, Suh, J.-K, Kerwin, S.M, Robertus, J.D. | Deposit date: | 2001-05-07 | Release date: | 2002-01-16 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-based design and characterization of novel platforms for ricin and shiga toxin inhibition. J.Med.Chem., 45, 2002
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6LXF
| Aromatic interactions drive the coupled folding and binding of the intrinsically disordered Sesbania mosaic virus VPg protein. | Descriptor: | Polyprotein | Authors: | Dixit, K, Karanth, N.M, Nair, S, Kumari, K, Chakrabarti, K.S, Savithri, H.S, Sarma, S.P. | Deposit date: | 2020-02-11 | Release date: | 2021-01-20 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Aromatic Interactions Drive the Coupled Folding and Binding of the Intrinsically Disordered Sesbania mosaic Virus VPg Protein. Biochemistry, 59, 2020
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6M78
| Aromatic interactions drive the coupled folding and binding of the intrinsically disordered Sesbania mosaic virus VPg protein | Descriptor: | Polyprotein | Authors: | Dixit, K, Karanth, N.M, Nair, S, Kumari, K, Chakraborti, K.S, Savithri, H.S, Sarma, S.P. | Deposit date: | 2020-03-17 | Release date: | 2021-01-27 | Method: | SOLUTION NMR | Cite: | Aromatic Interactions Drive the Coupled Folding and Binding of the Intrinsically Disordered Sesbania mosaic Virus VPg Protein. Biochemistry, 59, 2020
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6FOP
| Glycoside hydrolase family 81 from Clostridium thermocellum (CtLam81A), Mutant E515A | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CALCIUM ION, ... | Authors: | Correia, M.A.S.C, Carvalho, A.L. | Deposit date: | 2018-02-08 | Release date: | 2019-03-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Novel insights into the degradation of beta-1,3-glucans by the cellulosome of Clostridium thermocellum revealed by structure and function studies of a family 81 glycoside hydrolase. Int.J.Biol.Macromol., 117, 2018
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6UWY
| DYRK1A bound to a harmine derivative | Descriptor: | 4-(7-methoxy-1-methyl-9H-beta-carbolin-9-yl)butanamide, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, TETRAETHYLENE GLYCOL | Authors: | Khamrui, S, Lazarus, M.B. | Deposit date: | 2019-11-05 | Release date: | 2020-02-12 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Synthesis and Biological Validation of a Harmine-Based, Central Nervous System (CNS)-Avoidant, Selective, Human beta-Cell Regenerative Dual-Specificity Tyrosine Phosphorylation-Regulated Kinase A (DYRK1A) Inhibitor. J.Med.Chem., 63, 2020
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4YQM
| Glutathione S-transferase Omega 1 bound to covalent inhibitor C1-27 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloro-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide, Glutathione S-transferase omega-1 | Authors: | Stuckey, J.A. | Deposit date: | 2015-03-13 | Release date: | 2016-10-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Mechanistic evaluation and transcriptional signature of a glutathione S-transferase omega 1 inhibitor. Nat Commun, 7, 2016
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4YQV
| Glutathione S-transferase Omega 1 bound to covalent inhibitor C4-10 | Descriptor: | 2-(ethylsulfanyl)-N-methyl-N-[(1-phenyl-1H-pyrazol-4-yl)methyl]acetamide, Glutathione S-transferase omega-1 | Authors: | Stuckey, J.A. | Deposit date: | 2015-03-13 | Release date: | 2016-10-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Mechanistic evaluation and transcriptional signature of a glutathione S-transferase omega 1 inhibitor. Nat Commun, 7, 2016
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4YQU
| Glutathione S-transferase Omega 1 bound to covalent inhibitor C1-31 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Glutathione S-transferase omega-1, N-{5-(azepan-1-ylsulfonyl)-2-[(ethylsulfanyl)methoxy]phenyl}acetamide | Authors: | Stuckey, J.A. | Deposit date: | 2015-03-13 | Release date: | 2016-10-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Mechanistic evaluation and transcriptional signature of a glutathione S-transferase omega 1 inhibitor. Nat Commun, 7, 2016
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4IJ2
| Human methemoglobin in complex with the second and third NEAT domains of IsdH from Staphylococcus aureus | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, Iron-regulated surface determinant protein H, ... | Authors: | Dickson, C.F, Jacques, D.A, Guss, J.M, Gell, D.A. | Deposit date: | 2012-12-21 | Release date: | 2013-12-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (4.24 Å) | Cite: | Structure of the Hemoglobin-IsdH Complex Reveals the Molecular Basis of Iron Capture by Staphylococcus aureus J.Biol.Chem., 289, 2014
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8ABX
| Crystal structure of IDO1 in complex with Apoxidole-1 | Descriptor: | Indoleamine 2,3-dioxygenase 1, O1-tert-butyl O2-ethyl O5-methyl (E,5R)-5-(1-methylindol-2-yl)-5-[(4-methylphenyl)sulfonylamino]pent-2-ene-1,2,5-tricarboxylate, O2-tert-butyl O3-ethyl O6-methyl (2S,6R)-6-(1-methylindol-2-yl)-2,5-dihydro-1H-pyridine-2,3,6-tricarboxylate, ... | Authors: | Dotsch, L, Ziegler, S, Waldmann, H, Gasper, R. | Deposit date: | 2022-07-05 | Release date: | 2022-08-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Identification of a Novel Pseudo-Natural Product Type IV IDO1 Inhibitor Chemotype. Angew.Chem.Int.Ed.Engl., 61, 2022
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6WPW
| GCGR-Gs signaling complex bound to a designed glucagon derivative | Descriptor: | Glucagon derivative ZP3780, Glucagon receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Hilger, D, Krishna Kumar, K, Hu, H, Mathiesen, J.M, Skiniotis, G, Kobilka, B.K. | Deposit date: | 2020-04-28 | Release date: | 2020-08-12 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural insights into differences in G protein activation by family A and family B GPCRs. Science, 369, 2020
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9BJK
| Inactive mu opioid receptor bound to Nb6, naloxone and NAM | Descriptor: | Mu-type opioid receptor, Naloxone, Nalpha-[({(1M)-1-[5-(benzyloxy)pyridin-3-yl]naphthalen-2-yl}sulfanyl)acetyl]-3-methoxy-N,4-dimethyl-L-phenylalaninamide, ... | Authors: | O'Brien, E.S, Wang, H, Kaavya Krishna, K, Zhang, C, Kobilka, B.K. | Deposit date: | 2024-04-25 | Release date: | 2024-07-17 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.26 Å) | Cite: | A mu-opioid receptor modulator that works cooperatively with naloxone. Nature, 631, 2024
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1VE3
| Crystal structure of PH0226 protein from Pyrococcus horikoshii OT3 | Descriptor: | S-ADENOSYLMETHIONINE, hypothetical protein PH0226 | Authors: | Lokanath, N.K, Yamamoto, H, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2004-03-26 | Release date: | 2005-05-24 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of SAM-dependent methyltransferase from Pyrococcus horikoshii. Acta Crystallogr.,Sect.F, 73, 2017
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4RVT
| MAP4K4 in complex with a pyridin-2(1H)-one derivative | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-hexanoyl-4-hydroxy-5-(4-hydroxyphenyl)pyridin-2(1H)-one, Mitogen-activated protein kinase kinase kinase kinase 4 | Authors: | Richters, A, Becker, C, Kleine, S, Rauh, D. | Deposit date: | 2014-11-27 | Release date: | 2015-05-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Neuritogenic Militarinone-Inspired 4-Hydroxypyridones Target the Stress Pathway Kinase MAP4K4. Angew.Chem.Int.Ed.Engl., 54, 2015
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3S48
| Human Alpha-Haemoglobin Complexed with the First NEAT Domain of IsdH from Staphylococcus aureus | Descriptor: | Hemoglobin subunit alpha, Iron-regulated surface determinant protein H, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Kumar, K.K, Jacques, D.A, Caradoc-Davies, T.T, Guss, J.M, Gell, D.A. | Deposit date: | 2011-05-19 | Release date: | 2012-05-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | The structure of alpha-haemoglobin in complex with a haemoglobin-binding domain from Staphylococcus aureus reveals the elusive alpha-haemoglobin dimerization interface ACTA CRYSTALLOGR.,SECT.F, 70, 2014
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3SZK
| Crystal Structure of Human metHaemoglobin Complexed with the First NEAT Domain of IsdH from Staphylococcus aureus | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, Iron-regulated surface determinant protein H, ... | Authors: | Jacques, D.A, Kumar, K.K, Guss, J.M, Gell, D.A. | Deposit date: | 2011-07-19 | Release date: | 2011-09-14 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Structural basis for hemoglobin capture by Staphylococcus aureus cell-surface protein, IsdH J.Biol.Chem., 286, 2011
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6OSA
| human Neurotensin Receptor 1 (hNTSR1) - Gi1 Protein Complex in non-canonical conformation (NC state) | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | Authors: | Kato, H.E, Zhang, Y, Kobilka, B.K, Skiniotis, G. | Deposit date: | 2019-05-01 | Release date: | 2019-07-10 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Conformational transitions of a neurotensin receptor 1-Gi1complex. Nature, 572, 2019
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6OS9
| human Neurotensin Receptor 1 (hNTSR1) - Gi1 Protein Complex in canonical conformation (C state) | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | Authors: | Kato, H.E, Zhang, Y, Kobilka, B.K, Skiniotis, G. | Deposit date: | 2019-05-01 | Release date: | 2019-07-10 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Conformational transitions of a neurotensin receptor 1-Gi1complex. Nature, 572, 2019
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4QCE
| Crystal structure of recombinant alkali thermostable GH10 xylanase from Bacillus sp. NG-27 | Descriptor: | Alkaline thermostable endoxylanase, MAGNESIUM ION, SODIUM ION | Authors: | Mahanta, P, Bhardwaj, A, Reddy, V.S, Ramakumar, S. | Deposit date: | 2014-05-11 | Release date: | 2015-05-20 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Structural insights into N-terminal to C-terminal interactions and implications for thermostability of a (beta/alpha)8-triosephosphate isomerase barrel enzyme Febs J., 282, 2015
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4QDM
| Crystal structure of N-terminal mutant (V1L) of an alkali thermostable GH10 xylanase from Bacillus sp. NG-27 | Descriptor: | Alkaline thermostable endoxylanase, GLYCEROL, MAGNESIUM ION, ... | Authors: | Mahanta, P, Bhardwaj, A, Reddy, V.S, Ramakumar, S. | Deposit date: | 2014-05-14 | Release date: | 2015-05-20 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.964 Å) | Cite: | Structural insights into N-terminal to C-terminal interactions and implications for thermostability of a (beta/alpha)8-triosephosphate isomerase barrel enzyme Febs J., 282, 2015
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4QCF
| Crystal structure of N-terminal mutant (V1A) of an alkali thermostable GH10 xylanase from Bacillus sp. NG-27 | Descriptor: | Alkaline thermostable endoxylanase, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Mahanta, P, Bhardwaj, A, Reddy, V.S, Ramakumar, S. | Deposit date: | 2014-05-11 | Release date: | 2015-05-20 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Structural insights into N-terminal to C-terminal interactions and implications for thermostability of a (beta/alpha)8-triosephosphate isomerase barrel enzyme Febs J., 282, 2015
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3BJ9
| Crystal structure of the Surrogate Light Chain Variable Domain VpreBJ | Descriptor: | 1,2-ETHANEDIOL, Immunoglobulin iota chain, Immunoglobulin lambda-like polypeptide 1 | Authors: | Morstadt, L.M, Bohm, A.A, Stollar, B.D, Baleja, J.D. | Deposit date: | 2007-12-03 | Release date: | 2008-03-04 | Last modified: | 2019-09-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Engineering and characterization of a single chain surrogate light chain variable domain. Protein Sci., 17, 2008
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