8U0Q
 
 | | Co-crystal structure of optimized analog TDI-13537 provided new insights into the potency determinants of the sulfonamide inhibitor series | | Descriptor: | Dihydrolipoyl dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Dementiev, A.A, Michino, M, Vendome, J, Ginn, J, Bryk, R, Olland, A. | | Deposit date: | 2023-08-29 | | Release date: | 2024-01-03 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Shape-Based Virtual Screening of a Billion-Compound Library Identifies Mycobacterial Lipoamide Dehydrogenase Inhibitors.
Acs Bio Med Chem Au, 3, 2023
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5UN0
 | | Crystal Structure of Mycobacterium Tuberculosis Proteasome-assembly chaperone homologue Rv2125 | | Descriptor: | proteasome assembly chaperone 2 (PAC2) homologue Rv2125 | | Authors: | Bai, L, Jastrab, J.B, Hu, K, Yu, H, Darwin, K.H, Li, H. | | Deposit date: | 2017-01-30 | | Release date: | 2017-03-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural Analysis of Mycobacterium tuberculosis Homologues of the Eukaryotic Proteasome Assembly Chaperone 2 (PAC2).
J. Bacteriol., 199, 2017
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1KVP
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6J8G
 | | Structure of human voltage-gated sodium channel Nav1.7 in complex with auxiliary beta subunits, huwentoxin-IV and saxitoxin (Y1755 up) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Sodium channel protein type 9 subunit alpha, ... | | Authors: | Shen, H, Liu, D, Lei, J, Yan, N. | | Deposit date: | 2019-01-19 | | Release date: | 2019-02-27 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structures of human Nav1.7 channel in complex with auxiliary subunits and animal toxins.
Science, 363, 2019
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6GH1
 | | HLA-E*01:03 in complex with Mtb44 | | Descriptor: | Beta-2-microglobulin, Enoyl-[acyl-carrier-protein] reductase [NADH], MHC class I antigen, ... | | Authors: | Walters, L.C, Gillespie, G.M, McMichael, A.J, Rozbesky, D, Jones, E.Y, Harlos, K. | | Deposit date: | 2018-05-04 | | Release date: | 2018-08-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Pathogen-derived HLA-E bound epitopes reveal broad primary anchor pocket tolerability and conformationally malleable peptide binding.
Nat Commun, 9, 2018
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6GHN
 | | HLA-E*01:03 in complex with the Mtb44 peptide variant: Mtb44*P9-Phe. | | Descriptor: | ARG-LEU-PRO-ALA-LYS-ALA-PRO-LEU-PHE, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | | Authors: | Walters, L.C, Gillespie, G.M, McMichael, A.J, Rozbesky, D, Jones, E.Y, Harlos, K. | | Deposit date: | 2018-05-08 | | Release date: | 2018-08-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.542 Å) | | Cite: | Pathogen-derived HLA-E bound epitopes reveal broad primary anchor pocket tolerability and conformationally malleable peptide binding.
Nat Commun, 9, 2018
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1ZLY
 | | The structure of human glycinamide ribonucleotide transformylase in complex with alpha,beta-N-(hydroxyacetyl)-D-ribofuranosylamine and 10-formyl-5,8,dideazafolate | | Descriptor: | 4-[(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-6-YL)METHYL]AMINO}BENZOYL)AMINO]BUTANOIC ACID, 5-O-phosphono-beta-D-ribofuranosylamine, Phosphoribosylglycinamide formyltransferase | | Authors: | Dahms, T.E.S, Sainz, G, Giroux, E.L, Caperelli, C.A, Smith, J.L. | | Deposit date: | 2005-05-09 | | Release date: | 2005-08-23 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | The apo and ternary complex structures of a chemotherapeutic target: human glycinamide ribonucleotide transformylase.
Biochemistry, 44, 2005
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6J8H
 | | Structure of human voltage-gated sodium channel Nav1.7 in complex with auxiliary beta subunits, huwentoxin-IV and saxitoxin (Y1755 down) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Sodium channel protein type 9 subunit alpha, ... | | Authors: | Shen, H, Liu, D, Lei, J, Yan, N. | | Deposit date: | 2019-01-19 | | Release date: | 2019-02-27 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structures of human Nav1.7 channel in complex with auxiliary subunits and animal toxins.
Science, 363, 2019
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3DPU
 | | RocCOR domain tandem of Rab family protein (Roco) | | Descriptor: | Rab family protein | | Authors: | Gotthardt, K, Weyand, M, Kortholt, A, Van Haastert, P.J.M, Wittinghofer, A. | | Deposit date: | 2008-07-09 | | Release date: | 2008-08-12 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure of the Roc-COR domain tandem of C. tepidum, a prokaryotic homologue of the human LRRK2 Parkinson kinase
Embo J., 27, 2008
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2QZK
 | | Crystal structure of human Beta Secretase complexed with I21 | | Descriptor: | 2-[(5R)-5-amino-5-methyl-4,16-dioxo-14-phenyl-3-oxa-15-azatricyclo[15.3.1.1~7,11~]docosa-1(21),7(22),8,10,12,14,17,19-octaen-19-yl]benzonitrile, Beta-secretase 1 | | Authors: | Munshi, S. | | Deposit date: | 2007-08-16 | | Release date: | 2008-04-29 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Strategies toward improving the brain penetration of macrocyclic tertiary carbinamine BACE-1 inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
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6J8J
 | | Structure of human voltage-gated sodium channel Nav1.7 in complex with auxiliary beta subunits, ProTx-II and tetrodotoxin (Y1755 down) | | Descriptor: | (1R,5R,6R,7R,9S,11S,12S,13S,14S)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1~7,11~.0~1,6~]tetradec-3-ene-5,9,12,13,14-pentol (non-preferred name), 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Shen, H, Liu, D, Lei, J, Yan, N. | | Deposit date: | 2019-01-19 | | Release date: | 2019-02-27 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structures of human Nav1.7 channel in complex with auxiliary subunits and animal toxins.
Science, 363, 2019
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1PN4
 | | Crystal structure of 2-enoyl-CoA hydratase 2 domain of Candida tropicalis multifunctional enzyme type 2 complexed with (3R)-hydroxydecanoyl-CoA. | | Descriptor: | 1,2-ETHANEDIOL, 3R-HYDROXYDECANOYL-COENZYME A, Peroxisomal hydratase-dehydrogenase-epimerase | | Authors: | Koski, M.K, Haapalainen, A.M, Hiltunen, J.K, Glumoff, T. | | Deposit date: | 2003-06-12 | | Release date: | 2004-04-13 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | A Two-domain Structure of One Subunit Explains Unique Features of Eukaryotic Hydratase 2.
J.Biol.Chem., 279, 2004
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3DPT
 | | COR domain of Rab family protein (Roco) | | Descriptor: | Rab family protein | | Authors: | Gotthardt, K, Weyand, M, Kortholt, A, Van Haastert, P.J.M, Wittinghofer, A. | | Deposit date: | 2008-07-09 | | Release date: | 2008-08-12 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure of the Roc-COR domain tandem of C. tepidum, a prokaryotic homologue of the human LRRK2 Parkinson kinase
Embo J., 27, 2008
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7ZBF
 | | Crystal structure of native Iripin-4 serpin from tick Ixodes ricinus | | Descriptor: | Iripin-4 serpin, NICKEL (II) ION | | Authors: | Kascakova, B, Kuta Smatanova, I, Chmelar, J, Prudnikova, T. | | Deposit date: | 2022-03-23 | | Release date: | 2023-04-05 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Conformational transition of the Ixodes ricinus salivary serpin Iripin-4.
Acta Crystallogr D Struct Biol, 79, 2023
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6CG9
 | | Crystal structure of Triosephosphate Isomerase from Zea mays (mexican corn) | | Descriptor: | ACETATE ION, GLYCEROL, Triosephosphate isomerase, ... | | Authors: | Romero-Romero, S, Fernandez-Velasco, D.A, Rodriguez-Romero, A. | | Deposit date: | 2018-02-19 | | Release date: | 2018-10-10 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure and conformational stability of the triosephosphate isomerase from Zea mays. Comparison with the chemical unfolding pathways of other eukaryotic TIMs.
Arch. Biochem. Biophys., 658, 2018
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3N58
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1ZLX
 | | The apo structure of human glycinamide ribonucleotide transformylase | | Descriptor: | GLYCEROL, Phosphoribosylglycinamide formyltransferase | | Authors: | Dahms, T.E, Sainz, G, Giroux, E.L, Caperelli, C.A, Smith, J.L. | | Deposit date: | 2005-05-09 | | Release date: | 2005-08-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The apo and ternary complex structures of a chemotherapeutic target: human glycinamide ribonucleotide transformylase.
Biochemistry, 44, 2005
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1XYE
 | | T-to-THigh Transitions in Human Hemoglobin: alpha Y42A deoxy low salt | | Descriptor: | Hemoglobin alpha chain, Hemoglobin beta chain, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Kavanaugh, J.S, Rogers, P.H, Arnone, A, Hui, H.L, Wierzba, A, DeYoung, A, Kwiatkowski, L.D, Noble, R.W, Juszczak, L.J, Peterson, E.S, Friedman, J.M. | | Deposit date: | 2004-11-09 | | Release date: | 2004-11-30 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Intersubunit interactions associated with tyr42alpha stabilize the quaternary-T tetramer but are not major quaternary constraints in deoxyhemoglobin
Biochemistry, 44, 2005
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4CSK
 | | human Aquaporin | | Descriptor: | AQUAPORIN-1 | | Authors: | Ruiz-Carrillo, D, To-Yiu-Ying, J, Darwis, D, Soon, C.H, Cornvik, T, Torres, J, Lescar, J. | | Deposit date: | 2014-03-08 | | Release date: | 2014-12-24 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.28 Å) | | Cite: | Crystallization and Preliminary Crystallographic Analysis of Human Aquaporin 1 at a Resolution of 3.28 A.
Acta Crystallogr.,Sect.F, 70, 2014
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1XZ2
 | | wild-type hemoglobin deoxy no-salt | | Descriptor: | Hemoglobin alpha chain, Hemoglobin beta chain, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Kavanaugh, J.S, Rogers, P.H, Arnone, A, Hui, H.L, Wierzba, A, DeYoung, A, Kwiatkowski, L.D, Noble, R.W, Juszczak, L.J, Peterson, E.S, Friedman, J.M. | | Deposit date: | 2004-11-11 | | Release date: | 2004-11-30 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Intersubunit interactions associated with tyr42alpha stabilize the quaternary-T tetramer but are not major quaternary constraints in deoxyhemoglobin
Biochemistry, 44, 2005
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4LG0
 | | Structure of a ternary FOXO1-ETS1 DNA complex | | Descriptor: | CALCIUM ION, DNA (5'-D(*DAP*DAP*DAP*DCP*DAP*DAP*DTP*DAP*DAP*DCP*DAP*DGP*DGP*DAP*DAP*DAP*DCP*DCP*DGP*DTP*DG)-3'), DNA (5'-D(*DTP*DTP*DCP*DAP*DCP*DGP*DGP*DTP*DTP*DTP*DCP*DCP*DTP*DGP*DTP*DTP*DAP*DTP*DTP*DGP*DT)-3'), ... | | Authors: | Birrane, G, Choy, W.C, Datta, D, Geiger, C.A, Grant, M.A. | | Deposit date: | 2013-06-27 | | Release date: | 2014-07-02 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Structure of a ternary FOXO1-ETS1 DNA complex
To be Published
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8CFB
 | | Crystal structure of S-adenosyl-L-homocysteine hydrolase from P. aeruginosa in complex with F2X-Entry library fragment D02 | | Descriptor: | ADENINE, Adenosylhomocysteinase, DIMETHYL SULFOXIDE, ... | | Authors: | Malecki, P.H, Gawel, M, Stepniewska, M, Brzezinski, K. | | Deposit date: | 2023-02-03 | | Release date: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Crystal structure of S-adenosyl-L-homocysteine hydrolase from P. aeruginosa in complex with F2X-Entry library fragment D02
To be published
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8THS
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5IJH
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1ZG5
 | | NarL complexed to narG-89 promoter palindromic tail-to-tail DNA site | | Descriptor: | 5'-D(*CP*GP*TP*AP*CP*CP*CP*CP*TP*AP*TP*AP*GP*GP*GP*GP*TP*AP*CP*G)-3', Nitrate/nitrite response regulator protein narL, SULFATE ION | | Authors: | Maris, A.E, Kaczor-Grzeskowiak, M, Ma, Z, Kopka, M.L, Gunsalus, R.P, Dickerson, R.E. | | Deposit date: | 2005-04-20 | | Release date: | 2005-11-22 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Primary and Secondary Modes of DNA Recognition by the NarL Two-Component Response Regulator.
Biochemistry, 44, 2005
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