2CWS
 
 | | Crystal structure at 1.0 A of alginate lyase A1-II', a member of polysaccharide lyase family-7 | | Descriptor: | GLYCEROL, SULFATE ION, alginate lyase A1-II' | | Authors: | Yamasaki, M, Ogura, K, Hashimoto, W, Mikami, B, Murata, K. | | Deposit date: | 2005-06-25 | | Release date: | 2005-11-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | A Structural Basis for Depolymerization of Alginate by Polysaccharide Lyase Family-7
J.Mol.Biol., 352, 2005
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7WJ3
 | | Crystal structure of HLA-C*1402 complexed with 4-mer lipopeptide | | Descriptor: | 1,2-ETHANEDIOL, 4-mer lipopeptide, Beta-2-microglobulin, ... | | Authors: | Kuroha, J, Morita, D, Asa, M, Sugita, M. | | Deposit date: | 2022-01-05 | | Release date: | 2022-06-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.56343615 Å) | | Cite: | Crystal structures of N-myristoylated lipopeptide-bound HLA class I complexes indicate reorganization of B-pocket architecture upon ligand binding.
J.Biol.Chem., 298, 2022
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7WJ2
 | | Crystal structure of HLA-C*1402 complexed with 8-mer HIV gag peptide | | Descriptor: | 1,2-ETHANEDIOL, 8-mer peptide, ACETATE ION, ... | | Authors: | Kuroha, J, Morita, D, Asa, M, Sugita, M. | | Deposit date: | 2022-01-05 | | Release date: | 2022-06-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | Crystal structures of N-myristoylated lipopeptide-bound HLA class I complexes indicate reorganization of B-pocket architecture upon ligand binding.
J.Biol.Chem., 298, 2022
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4UQG
 | | A new bio-isosteric base pair based on reversible bonding | | Descriptor: | 5'-D(*AP*GP*GP*GP*A SAYP*GP*GP*TP*CP)-3', 5'-D(*GP*AP*CP*C T0TP*TP*CP*CP*CP*TP)-3', DNA POLYMERASE, ... | | Authors: | Tomas-Gamasa, M, Serdjukov, S, Su, M, Mueller, M, Carell, T. | | Deposit date: | 2014-06-23 | | Release date: | 2014-12-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | "Post-it" type connected DNA created with a reversible covalent cross-link.
Angew. Chem. Int. Ed. Engl., 54, 2015
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5NEV
 | | CDK2/Cyclin A in complex with compound 73 | | Descriptor: | 4-[[6-(3-phenylphenyl)-7~{H}-purin-2-yl]amino]benzenesulfonamide, Cyclin-A2, Cyclin-dependent kinase 2 | | Authors: | Coxon, C.R, Anscombe, E, Harnor, S.J, Martin, M.P, Carbain, B, Hardcastle, I.R, Harlow, L.K, Korolchuk, S, Matheson, C.J, Noble, M.E.M, Newell, D.R, Turner, D, Sivaprakasam, M, Wang, L.Z, Wong, C, Golding, B.T, Griffin, R.J, Cano, G. | | Deposit date: | 2017-03-12 | | Release date: | 2017-03-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.97 Å) | | Cite: | Cyclin-Dependent Kinase (CDK) Inhibitors: Structure-Activity Relationships and Insights into the CDK-2 Selectivity of 6-Substituted 2-Arylaminopurines.
J. Med. Chem., 60, 2017
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1W6B
 | | Solution NMR Structure of a Long Neurotoxin from the Venom of the Asian Cobra, 20 Structures | | Descriptor: | LONG NEUROTOXIN 1 | | Authors: | Talebzadeh-Farooji, M, Amininasab, M, Elmi, M.M, Naderi-Manesh, H, Sarbolouki, M.N. | | Deposit date: | 2004-08-17 | | Release date: | 2004-12-22 | | Last modified: | 2018-05-09 | | Method: | SOLUTION NMR | | Cite: | Solution structure of long neurotoxin NTX-1 from the venom of Naja naja oxiana by 2D-NMR spectroscopy.
Eur. J. Biochem., 271, 2004
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6R3W
 | | M.tuberculosis nitrobindin with a water molecule coordinated to the heme iron atom | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, UPF0678 fatty acid-binding protein-like protein ERS007657_00996 | | Authors: | De Simone, G, di Masi, A, Polticelli, F, Pesce, A, Nardini, M, Bolognesi, M, Ciaccio, C, Coletta, M, Turilli, E.S, Fasano, M, Tognaccini, L, Smulevich, G, Abbruzzetti, S, Viappiani, C, Bruno, S, Ascenzi, P. | | Deposit date: | 2019-03-21 | | Release date: | 2020-04-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Mycobacterial and Human Nitrobindins: Structure and Function.
Antioxid.Redox Signal., 33, 2020
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6R3Y
 | | M.tuberculosis nitrobindin with a cyanide molecule coordinated to the heme iron atom | | Descriptor: | CYANIDE ION, PROTOPORPHYRIN IX CONTAINING FE, UPF0678 fatty acid-binding protein-like protein ERS007657_00996 | | Authors: | De Simone, G, di Masi, A, Polticelli, F, Pesce, A, Nardini, M, Bolognesi, M, Ciaccio, C, Coletta, M, Turilli, E.S, Fasano, M, Tognaccini, L, Smulevich, G, Abbruzzetti, S, Viappiani, C, Bruno, S, Ascenzi, P. | | Deposit date: | 2019-03-21 | | Release date: | 2020-04-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Mycobacterial and Human Nitrobindins: Structure and Function.
Antioxid.Redox Signal., 33, 2020
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4P09
 | | Crystal structure of HOIP PUB domain | | Descriptor: | E3 ubiquitin-protein ligase RNF31 | | Authors: | Akutsu, M, Schaeffer, V, Olma, M.H, Gomes, L.C, Kawasaki, M, Dikic, I. | | Deposit date: | 2014-02-20 | | Release date: | 2014-05-07 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Binding of OTULIN to the PUB domain of HOIP controls NF-kappa B signaling.
Mol.Cell, 54, 2014
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4P0A
 | | Crystal structure of HOIP PUB domain in complex with p97 PIM | | Descriptor: | E3 ubiquitin-protein ligase RNF31, Transitional endoplasmic reticulum ATPase | | Authors: | Akutsu, M, Schaeffer, V, Olma, M.H, Gomes, L.C, Kawasaki, M, Dikic, I. | | Deposit date: | 2014-02-20 | | Release date: | 2014-05-07 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.3001 Å) | | Cite: | Binding of OTULIN to the PUB domain of HOIP controls NF-kappa B signaling.
Mol.Cell, 54, 2014
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6DR8
 | | Metallo-beta-lactamase from Cronobacter sakazakii (Enterobacter sakazakii) HARLDQ motif mutant S60/R118H/Q121H/K254H | | Descriptor: | (2-hydroxyethoxy)acetaldehyde, Beta-lactamase, PHOSPHATE ION, ... | | Authors: | Monteiro Pedroso, M, Waite, D, Natasa, M, McGeary, R, Guddat, L, Hugenholtz, P, Schenk, G. | | Deposit date: | 2018-06-11 | | Release date: | 2019-06-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.476 Å) | | Cite: | Broad spectrum antibiotic-degrading metallo-beta-lactamases are phylogenetically diverse
Protein Cell, 2020
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1VFI
 | | Solution Structure of Vanabin2 (RUH-017), a Vanadium-binding Protein from Ascidia sydneiensis samea | | Descriptor: | vanadium-binding protein 2 | | Authors: | Hamada, T, Hirota, H, Asanuma, M, Hayashi, F, Kobayashi, N, Ueki, T, Michibata, H, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2004-04-13 | | Release date: | 2005-03-22 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of Vanabin2, a Vanadium(IV)-Binding Protein from the Vanadium-Rich Ascidian Ascidia sydneiensis samea
J.Am.Chem.Soc., 127, 2005
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7CFO
 | | Crystal structure of human RXRalpha ligand binding domain complexed with CBTF-EE. | | Descriptor: | 1-[3-(2-ethoxyethoxy)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]-2-(trifluoromethyl)benzimidazole-5-carboxylic acid, GLYCEROL, Retinoic acid receptor RXR-alpha | | Authors: | Watanabe, M, Fujihara, M, Motoyama, T, Kawasaki, M, Yamada, S, Takamura, Y, Ito, S, Makishima, M, Nakano, S, Kakuta, H. | | Deposit date: | 2020-06-27 | | Release date: | 2021-01-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Discovery of a "Gatekeeper" Antagonist that Blocks Entry Pathway to Retinoid X Receptors (RXRs) without Allosteric Ligand Inhibition in Permissive RXR Heterodimers.
J.Med.Chem., 64, 2021
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8JZ8
 | | Subatomic structure of orthorhombic thaumatin at 0.89 Angstroms | | Descriptor: | DI(HYDROXYETHYL)ETHER, Thaumatin I | | Authors: | Masuda, T, Suzuki, M, Yamasaki, M, Mikami, B. | | Deposit date: | 2023-07-04 | | Release date: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (0.89 Å) | | Cite: | Subatomic structure of orthorhombic thaumatin at 0.89 angstrom reveals that highly flexible conformations are crucial for thaumatin sweetness.
Biochem.Biophys.Res.Commun., 703, 2024
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4OWF
 | | Crystal structure of the NEMO CoZi in complex with HOIP NZF1 domain | | Descriptor: | E3 ubiquitin-protein ligase RNF31, NF-kappa-B essential modulator, ZINC ION | | Authors: | Rahighi, S, Fujita, H, Kawasaki, M, Kato, R, Iwai, K, Wakatsuki, S. | | Deposit date: | 2014-01-31 | | Release date: | 2014-02-12 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Mechanism Underlying I kappa B Kinase Activation Mediated by the Linear Ubiquitin Chain Assembly Complex.
Mol.Cell.Biol., 34, 2014
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4Z4K
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7CN0
 | | Cryo-EM structure of K+-bound hERG channel | | Descriptor: | POTASSIUM ION, potassium channel 1 | | Authors: | Asai, T, Adachi, N, Moriya, T, Kawasaki, M, Suzuki, K, Senda, T, Murata, T. | | Deposit date: | 2020-07-29 | | Release date: | 2021-01-20 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Cryo-EM Structure of K + -Bound hERG Channel Complexed with the Blocker Astemizole.
Structure, 29, 2021
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7CN1
 | | Cryo-EM structure of K+-bound hERG channel in the presence of astemizole | | Descriptor: | POTASSIUM ION, potassium channel | | Authors: | Asai, T, Adachi, N, Moriya, T, Kawasaki, M, Suzuki, K, Senda, T, Murata, T. | | Deposit date: | 2020-07-29 | | Release date: | 2021-01-20 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Cryo-EM Structure of K + -Bound hERG Channel Complexed with the Blocker Astemizole.
Structure, 29, 2021
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1MHU
 | | THE THREE-DIMENSIONAL STRUCTURE OF HUMAN [113CD7] METALLOTHIONEIN-2 IN SOLUTION DETERMINED BY NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY | | Descriptor: | CADMIUM ION, CD7 METALLOTHIONEIN-2 | | Authors: | Braun, W, Messerle, B.A, Schaeffer, A, Vasak, M, Kaegi, J.H.R, Wuthrich, K. | | Deposit date: | 1990-05-14 | | Release date: | 1991-04-15 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Three-dimensional structure of human [113Cd7]metallothionein-2 in solution determined by nuclear magnetic resonance spectroscopy.
J.Mol.Biol., 214, 1990
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6KNF
 | | CryoEM map and model of Nitrite Reductase at pH 6.2 | | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase | | Authors: | Adachi, N, Yamaguchi, T, Moriya, T, Kawasaki, M, Koiwai, K, Shinoda, A, Yamada, Y, Yumoto, F, Kohzuma, T, Senda, T. | | Deposit date: | 2019-08-05 | | Release date: | 2020-08-12 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.99 Å) | | Cite: | 2.85 and 2.99 angstrom resolution structures of 110 kDa nitrite reductase determined by 200 kV cryogenic electron microscopy.
J.Struct.Biol., 213, 2021
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6KNG
 | | CryoEM map and model of Nitrite Reductase at pH 8.1 | | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase | | Authors: | Adachi, N, Yamaguchi, T, Moriya, T, Kawasaki, M, Koiwai, K, Shinoda, A, Yamada, Y, Yumoto, F, Kohzuma, T, Senda, T. | | Deposit date: | 2019-08-05 | | Release date: | 2020-08-12 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.85 Å) | | Cite: | 2.85 and 2.99 angstrom resolution structures of 110 kDa nitrite reductase determined by 200 kV cryogenic electron microscopy.
J.Struct.Biol., 213, 2021
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5A00
 | | Structure of human PARP1 catalytic domain bound to an isoindolinone inhibitor | | Descriptor: | 2-[1-(4,4-Difluorocyclohexyl)-piperidin-4-yl]-6-fluoro-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide, POLY [ADP-RIBOSE] POLYMERASE 1, SULFATE ION | | Authors: | Casale, E, Fasolini, M, Papeo, G, Posteri, H, Borghi, D, Busel, A.A, Caprera, F, Ciomei, M, Cirla, A, Corti, E, DAnello, M, Fasolini, M, Felder, E.R, Forte, B, Galvani, A, Isacchi, A, Khvat, A, Krasavin, M.Y, Lupi, R, Orsini, P, Perego, R, Pesenti, E, Pezzetta, D, Rainoldi, S, RiccardiSirtori, F, Scolaro, A, Sola, F, Zuccotto, F, Donati, D, Montagnoli, A. | | Deposit date: | 2015-04-15 | | Release date: | 2015-08-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Discovery of 2-[1-(4,4-Difluorocyclohexyl)Piperidin-4-Yl]-6-Fluoro-3-Oxo-2,3-Dihydro-1H-Isoindole-4-Carboxamide (Nms-P118): A Potent, Orally Available and Highly Selective Parp- 1 Inhibitor for Cancer Therapy.
J.Med.Chem., 58, 2015
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4ZZZ
 | | Structure of human PARP1 catalytic domain bound to an isoindolinone inhibitor | | Descriptor: | 2-(3-methoxypropyl)-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide, GLYCEROL, POLY [ADP-RIBOSE] POLYMERASE 1, ... | | Authors: | Casale, E, Fasolini, M, Papeo, G, Posteri, H, Borghi, D, Busel, A.A, Caprera, F, Ciomei, M, Cirla, A, Corti, E, DAnello, M, Fasolini, M, Felder, E.R, Forte, B, Galvani, A, Isacchi, A, Khvat, A, Krasavin, M.Y, Lupi, R, Orsini, P, Perego, R, Pesenti, E, Pezzetta, D, Rainoldi, S, RiccardiSirtori, F, Scolaro, A, Sola, F, Zuccotto, F, Donati, D, Montagnoli, A. | | Deposit date: | 2015-04-15 | | Release date: | 2015-08-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of 2-[1-(4,4-Difluorocyclohexyl)Piperidin-4-Yl]-6-Fluoro-3-Oxo-2,3-Dihydro-1H-Isoindole-4-Carboxamide (Nms-P118): A Potent, Orally Available and Highly Selective Parp- 1 Inhibitor for Cancer Therapy.
J.Med.Chem., 58, 2015
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4ZZY
 | | Structure of human PARP2 catalytic domain bound to an isoindolinone inhibitor | | Descriptor: | 2-[1-(4,4-Difluorocyclohexyl)-piperidin-4-yl]-6-fluoro-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide, POLY [ADP-RIBOSE] POLYMERASE 2 | | Authors: | Casale, E, Fasolini, M, Papeo, G, Posteri, H, Borghi, D, Busel, A.A, Caprera, F, Ciomei, M, Cirla, A, Corti, E, DAnello, M, Fasolini, M, Felder, E.R, Forte, B, Galvani, A, Isacchi, A, Khvat, A, Krasavin, M.Y, Lupi, R, Orsini, P, Perego, R, Pesenti, E, Pezzetta, D, Rainoldi, S, RiccardiSirtori, F, Scolaro, A, Sola, F, Zuccotto, F, Donati, D, Montagnoli, A. | | Deposit date: | 2015-04-15 | | Release date: | 2015-08-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of 2-[1-(4,4-Difluorocyclohexyl)Piperidin-4-Yl]-6-Fluoro-3-Oxo-2,3-Dihydro-1H-Isoindole-4-Carboxamide (Nms-P118): A Potent, Orally Available and Highly Selective Parp- 1 Inhibitor for Cancer Therapy.
J.Med.Chem., 58, 2015
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6FRJ
 | | Crystal structure of scFv-SM3 in complex with APD-SeThrGalNAc-RP | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, APD-SeThr-RP, ... | | Authors: | Companon, I, Castro-Lopez, J, Escudero-Casao, M, Avenoza, A, Busto, J.H, Castillon, S, Jimenez-Barbero, J, Bernardes, G.J, Boutureira, O, Jimenez-Oses, G, Asensio, J.L, Peregrina, J.M, Hurtado-Guerrero, R, Corzana, F. | | Deposit date: | 2018-02-16 | | Release date: | 2019-02-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure-Based Design of Potent Tumor-Associated Antigens: Modulation of Peptide Presentation by Single-Atom O/S or O/Se Substitutions at the Glycosidic Linkage.
J. Am. Chem. Soc., 141, 2019
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