8AXY
 
 | | Staphylococcus aureus endonuclease IV orthorhombic crystal form | | Descriptor: | FE (III) ION, Probable endonuclease 4, SULFATE ION, ... | | Authors: | Rouvinski, A, Kirillov, S, Saper, M.A, Wiener, R, Isupov, M.N. | | Deposit date: | 2022-09-01 | | Release date: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Octahedrally coordinated iron in the catalytic site of endonuclease IV from Staphylococcus aureus
To Be Published
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5YU7
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5ZK8
 | | Crystal structure of M2 muscarinic acetylcholine receptor bound with NMS | | Descriptor: | Muscarinic acetylcholine receptor M2,Redesigned apo-cytochrome b562,Muscarinic acetylcholine receptor M2, N-methyl scopolamine | | Authors: | Suno, R, Maeda, S, Yasuda, S, Yamashita, K, Hirata, K, Horita, S, Tawaramoto, M.S, Tsujimoto, H, Murata, T, Kinoshita, M, Yamamoto, M, Kobilka, B.K, Iwata, S, Kobayashi, T. | | Deposit date: | 2018-03-23 | | Release date: | 2018-11-21 | | Last modified: | 2022-03-23 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural insights into the subtype-selective antagonist binding to the M2muscarinic receptor
Nat. Chem. Biol., 14, 2018
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1U8G
 | | Crystal structure of a HIV-1 Protease in complex with peptidomimetic inhibitor KI2-PHE-GLU-GLU-NH2 | | Descriptor: | PROTEASE RETROPEPSIN, peptidomimetic inhibitor KI2-PHE-GLU-GLU-NH2 | | Authors: | Brynda, J, Rezacova, P, Fabry, M, Horejsi, M, Hradilek, M, Soucek, R, Stouracova, R, Konvalinka, J, Sedlacek, J. | | Deposit date: | 2004-08-06 | | Release date: | 2004-11-02 | | Last modified: | 2018-02-14 | | Method: | X-RAY DIFFRACTION (2.201 Å) | | Cite: | Inhibitor binding at the protein interface in crystals of a HIV-1 protease complex.
Acta Crystallogr.,Sect.D, 60, 2004
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1I97
 | | CRYSTAL STRUCTURE OF THE 30S RIBOSOMAL SUBUNIT FROM THERMUS THERMOPHILUS IN COMPLEX WITH TETRACYCLINE | | Descriptor: | 16S RRNA, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, ... | | Authors: | Pioletti, M, Schluenzen, F, Harms, J, Zarivach, R, Gluehmann, M, Avila, H, Bartels, H, Jacobi, C, Hartsch, T, Yonath, A, Franceschi, F. | | Deposit date: | 2001-03-18 | | Release date: | 2001-04-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (4.5 Å) | | Cite: | Crystal structures of complexes of the small ribosomal subunit with tetracycline, edeine and IF3.
EMBO J., 20, 2001
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5YZA
 | | Crystal Structure of Human CRMP-2 with S522D mutation | | Descriptor: | Dihydropyrimidinase-related protein 2 | | Authors: | Sumi, T, Imasaki, T, Aoki, M, Sakai, N, Nitta, E, Shirouzu, M, Nitta, R. | | Deposit date: | 2017-12-13 | | Release date: | 2018-03-21 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Insights into the Altering Function of CRMP2 by Phosphorylation.
Cell Struct. Funct., 43, 2018
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5YYB
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5YZ5
 | | Crystal Structure of Human CRMP-2 with T509D-T514D-S518D-S522D mutations | | Descriptor: | Dihydropyrimidinase-related protein 2, SULFATE ION | | Authors: | Imasaki, T, Sumi, T, Aoki, M, Sakai, N, Nitta, E, Shirouzu, M, Nitta, R. | | Deposit date: | 2017-12-13 | | Release date: | 2018-03-21 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Insights into the Altering Function of CRMP2 by Phosphorylation.
Cell Struct. Funct., 43, 2018
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8ATB
 | | Discovery of IRAK4 Inhibitor 16 | | Descriptor: | GLYCEROL, Interleukin-1 receptor-associated kinase 4, ~{N}-[6-ethoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide | | Authors: | Schafer, M, Bothe, U, Schmidt, N, Gunther, J, Nubbemeyer, R, Siebeneicher, H, Ring, S, Boemer, U, Peters, M, Denner, K, Himmel, H, Sutter, A, Terebesi, I, Lange, M, Wenger, A.M, Guimond, N, Thaler, T, Platzek, J, Eberspaecher, U, Steuber, H, Steinmeyer, A, Zollner, T.M. | | Deposit date: | 2022-08-22 | | Release date: | 2023-11-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Discovery of IRAK4 Inhibitors BAY1834845 (Zabedosertib) and BAY1830839 .
J.Med.Chem., 67, 2024
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5Z7N
 | | SmChiA sliding-intermediate with chitopentaose | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, Chitinase A, ... | | Authors: | Nakamura, A, Iino, R. | | Deposit date: | 2018-01-30 | | Release date: | 2018-09-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Processive chitinase is Brownian monorail operated by fast catalysis after peeling rail from crystalline chitin.
Nat Commun, 9, 2018
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5T4M
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1KT3
 | | Crystal structure of bovine holo-RBP at pH 2.0 | | Descriptor: | Plasma retinol-binding protein, RETINOL | | Authors: | Calderone, V, Berni, R, Zanotti, G. | | Deposit date: | 2002-01-15 | | Release date: | 2003-06-03 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | High-resolution Structures of
Retinol-binding Protein in
Complex with Retinol: pH-induced Protein Structural
Changes in the Crystal State
J.Mol.Biol., 329, 2003
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1PVY
 | | 3,4-dihydroxy-2-butanone 4-phosphate synthase from M. jannaschii in complex with ribulose 5-phosphate | | Descriptor: | 3,4-dihydroxy-2-butanone 4-phosphate synthase, CALCIUM ION, RIBULOSE-5-PHOSPHATE, ... | | Authors: | Steinbacher, S, Schiffmann, S, Richter, G, Huber, R, Bacher, A, Fischer, M. | | Deposit date: | 2003-06-29 | | Release date: | 2003-11-04 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure of 3,4-Dihydroxy-2-butanone 4-Phosphate Synthase from Methanococcus jannaschii in
Complex with Divalent Metal Ions and the Substrate Ribulose 5-Phosphate: IMPLICATIONS FOR THE
CATALYTIC MECHANISM
J.Biol.Chem., 278, 2003
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5T4O
 | | Autoinhibited E. coli ATP synthase state 1 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | | Authors: | Sobti, M, Smits, C, Wong, A.S.W, Ishmukhametov, R, Stock, D, Sandin, S, Stewart, A.G. | | Deposit date: | 2016-08-29 | | Release date: | 2016-12-28 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (6.9 Å) | | Cite: | Cryo-EM structures of the autoinhibitedE. coliATP synthase in three rotational states.
Elife, 5, 2016
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8AMF
 | | Cryo-EM structure of the RecA postsynaptic filament from S. pneumoniae | | Descriptor: | DNA, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Protein RecA | | Authors: | Perry, T.N, Fronzes, R, Polard, P, Hertzog, M. | | Deposit date: | 2022-08-03 | | Release date: | 2024-02-21 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Assembly mechanism and cryoEM structure of RecA recombination nucleofilaments from Streptococcus pneumoniae.
Nucleic Acids Res., 51, 2023
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5T6A
 | | Crystal Structure of TgCDPK1 from toxoplasma gondii complexed with 5GA | | Descriptor: | 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine, Calmodulin-domain protein kinase 1 | | Authors: | Jiang, D.Q, Tempel, W, Loppnau, P, Walker, J.R, Graslund, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Lovato, D.V, Osman, K.T, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-09-01 | | Release date: | 2016-11-02 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal Structure of TgCDPK1 from toxoplasma gondii complexed with SGC-1-9
to be published
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1KT7
 | | Crystal structure of bovine holo-RBP at pH 7.0 | | Descriptor: | Plasma retinol-binding protein, RETINOL | | Authors: | Calderone, V, Berni, R, Zanotti, G. | | Deposit date: | 2002-01-15 | | Release date: | 2003-06-03 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.274 Å) | | Cite: | High-resolution Structures of Retinol-binding Protein in
Complex with Retinol: pH-induced Protein Structural
Changes in the Crystal State
J.Mol.Biol., 329, 2003
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5T6I
 | | CRYSTAL STRUCTURE OF TGCDPK1 FROM TOXOPLASMA GONDII COMPLEXED WITH 5GB | | Descriptor: | 4-(3-methylphenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine, Calmodulin-domain protein kinase 1 | | Authors: | Jiang, D.Q, Tempel, W, Walker, J.R, El Bakkouri, M, Loppnau, P, Graslund, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Lovato, D.V, Osman, K.T, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-09-01 | | Release date: | 2016-11-02 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal Structure of CDPK1 from toxoplasma gondii complexed with SGC-1-19
to be published
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5Z7M
 | | SmChiA sliding-intermediate with chitohexaose | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, Chitinase A, ... | | Authors: | Nakamura, A, Iino, R. | | Deposit date: | 2018-01-30 | | Release date: | 2018-09-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Processive chitinase is Brownian monorail operated by fast catalysis after peeling rail from crystalline chitin.
Nat Commun, 9, 2018
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5T84
 | | HIV-1 protease, unbound subtype B L63P construct | | Descriptor: | Protease | | Authors: | Liu, Z, Norell, J, Mahon, B, Poole, K, McKenna, R, Fanucci, G. | | Deposit date: | 2016-09-06 | | Release date: | 2017-09-20 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Single mutation, L63P, capable of shutting down the flaps of HIV-1 protease
To Be Published
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1Q62
 | | PKA double mutant model of PKB | | Descriptor: | cAMP-dependent protein kinase inhibitor, alpha form, cAMP-dependent protein kinase, ... | | Authors: | Gassel, M, Breitenlechner, C.B, Rueger, P, Jucknischke, U, Schneider, T, Huber, R, Bossemeyer, D, Engh, R.A. | | Deposit date: | 2003-08-12 | | Release date: | 2003-09-30 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Mutants of protein kinase A that mimic the ATP-binding site of protein kinase B (AKT)
J.Mol.Biol., 329, 2003
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5TAU
 | | Structure of rabbit RyR1 (Caffeine/ATP/EGTA dataset, class 3) | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, Peptidyl-prolyl cis-trans isomerase FKBP1B, ... | | Authors: | Clarke, O.B, des Georges, A, Zalk, R, Marks, A.R, Hendrickson, W.A, Frank, J. | | Deposit date: | 2016-09-10 | | Release date: | 2016-10-12 | | Last modified: | 2018-07-18 | | Method: | ELECTRON MICROSCOPY (6.2 Å) | | Cite: | Structural Basis for Gating and Activation of RyR1.
Cell, 167, 2016
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8AZI
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5TAT
 | | Structure of rabbit RyR1 (Caffeine/ATP/EGTA dataset, class 2) | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, Peptidyl-prolyl cis-trans isomerase FKBP1B, ... | | Authors: | Clarke, O.B, des Georges, A, Zalk, R, Marks, A.R, Hendrickson, W.A, Frank, J. | | Deposit date: | 2016-09-10 | | Release date: | 2016-10-12 | | Last modified: | 2018-07-18 | | Method: | ELECTRON MICROSCOPY (4.8 Å) | | Cite: | Structural Basis for Gating and Activation of RyR1.
Cell, 167, 2016
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8AZO
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