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3WOJ
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BU of 3woj by Molmil
Crystal structure of the DAP BII
Descriptor: GLYCEROL, ZINC ION, dipeptidyl aminopeptidase BII
Authors:Sakamoto, Y, Suzuki, Y, Iizuka, I, Tateoka, C, Roppongi, S, Fujimoto, M, Nonaka, T, Ogasawara, W, Tanaka, N.
Deposit date:2013-12-29
Release date:2014-09-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:S46 peptidases are the first exopeptidases to be members of clan PA
SCI REP, 4, 2014
1NX8
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BU of 1nx8 by Molmil
Structure of carbapenem synthase (CarC) complexed with N-acetyl proline
Descriptor: 1-ACETYL-L-PROLINE, 2-OXOGLUTARIC ACID, Carbapenem synthase, ...
Authors:Clifton, I.J, Doan, L.X, Sleeman, M.C, Topf, M, Suzuki, H, Wilmouth, R.C, Schofield, C.J.
Deposit date:2003-02-10
Release date:2003-06-17
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of carbapenem synthase (CarC).
J.Biol.Chem., 278, 2003
3FVK
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BU of 3fvk by Molmil
Crystal structure of the human glutamate receptor, GluR5, ligand-binding core in complex with 8-deoxy-neodysiherbaine A in space group P1
Descriptor: (2R,3aR,6S,7aR)-2-[(2S)-2-amino-3-hydroxy-3-oxo-propyl]-6-hydroxy-3,3a,5,6,7,7a-hexahydrofuro[4,5-b]pyran-2-carboxylic acid, GLYCEROL, Glutamate receptor, ...
Authors:Unno, M, Sasaki, M, Ikeda-Saito, M.
Deposit date:2009-01-15
Release date:2010-01-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Binding and Selectivity of the Marine Toxin Neodysiherbaine A and Its Synthetic Analogues to GluK1 and GluK2 Kainate Receptors.
J.Mol.Biol., 413, 2011
3FUZ
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BU of 3fuz by Molmil
Crystal structure of the human glutamate receptor, GluR5, ligand-binding core in complex with L-glutamate in space group P1
Descriptor: GLUTAMIC ACID, Glutamate receptor, ionotropic kainate 1, ...
Authors:Unno, M, Sasaki, M, Ikeda-Saito, M.
Deposit date:2009-01-15
Release date:2010-01-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Binding and Selectivity of the Marine Toxin Neodysiherbaine A and Its Synthetic Analogues to GluK1 and GluK2 Kainate Receptors.
J.Mol.Biol., 413, 2011
3FVN
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BU of 3fvn by Molmil
Crystal structure of the human glutamate receptor, GluR5, ligand-binding core in complex with 9-deoxy-neodysiherbaine A in space group P1
Descriptor: (2R,3aR,7R,7aR)-2-[(2S)-2-amino-3-hydroxy-3-oxo-propyl]-7-hydroxy-3,3a,5,6,7,7a-hexahydrofuro[4,5-b]pyran-2-carboxylic acid, GLYCEROL, Glutamate receptor, ...
Authors:Unno, M, Sasaki, M, Ikeda-Saito, M.
Deposit date:2009-01-16
Release date:2010-01-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Binding and Selectivity of the Marine Toxin Neodysiherbaine A and Its Synthetic Analogues to GluK1 and GluK2 Kainate Receptors.
J.Mol.Biol., 413, 2011
3WOP
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BU of 3wop by Molmil
Crystal structure of the DAP BII hexapeptide complex II
Descriptor: Angiotensin IV, GLYCEROL, ZINC ION, ...
Authors:Sakamoto, Y, Suzuki, Y, Iizuka, I, Tateoka, C, Roppongi, S, Fujimoto, M, Nonaka, T, Ogasawara, W, Tanaka, N.
Deposit date:2013-12-29
Release date:2014-09-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:S46 peptidases are the first exopeptidases to be members of clan PA
SCI REP, 4, 2014
3WOQ
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BU of 3woq by Molmil
Crystal structure of the DAP BII hexapeptide complex III
Descriptor: Angiotensin IV, GLYCEROL, ZINC ION, ...
Authors:Sakamoto, Y, Suzuki, Y, Iizuka, I, Tateoka, C, Roppongi, S, Fujimoto, M, Nonaka, T, Ogasawara, W, Tanaka, N.
Deposit date:2013-12-29
Release date:2014-09-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:S46 peptidases are the first exopeptidases to be members of clan PA
SCI REP, 4, 2014
3FV2
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BU of 3fv2 by Molmil
Crystal structure of the human glutamate receptor, GluR5, ligand-binding core in complex with neodysiherbaine A in space group P1
Descriptor: (2R,3aR,6R,7R,7aR)-2-[(2S)-2-amino-2-carboxyethyl]-6,7-dihydroxyhexahydro-2H-furo[3,2-b]pyran-2-carboxylic acid, GLYCEROL, Glutamate receptor, ...
Authors:Unno, M, Sasaki, M, Ikeda-Saito, M.
Deposit date:2009-01-15
Release date:2010-01-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Binding and Selectivity of the Marine Toxin Neodysiherbaine A and Its Synthetic Analogues to GluK1 and GluK2 Kainate Receptors.
J.Mol.Biol., 413, 2011
3FV1
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BU of 3fv1 by Molmil
Crystal Structure of the human glutamate receptor, GluR5, ligand-binding core in complex with dysiherbaine in space group P1
Descriptor: (2R,3aR,6S,7R,7aR)-2-[(2S)-2-amino-2-carboxyethyl]-6-hydroxy-7-(methylamino)hexahydro-2H-furo[3,2-b]pyran-2-carboxylic acid, GLYCEROL, Glutamate receptor, ...
Authors:Unno, M, Sasaki, M, Ikeda-Saito, M.
Deposit date:2009-01-15
Release date:2010-01-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Binding and Selectivity of the Marine Toxin Neodysiherbaine A and Its Synthetic Analogues to GluK1 and GluK2 Kainate Receptors.
J.Mol.Biol., 413, 2011
7WQV
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BU of 7wqv by Molmil
Crystal structure of a neutralizing monoclonal antibody (Ab08) in complex with SARS-CoV-2 receptor-binding domain (RBD)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Ab08, ...
Authors:Zha, J, Meng, L, Zhang, X, Li, D.
Deposit date:2022-01-26
Release date:2023-01-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A Spike-destructing human antibody effectively neutralizes Omicron-included SARS-CoV-2 variants with therapeutic efficacy.
Plos Pathog., 19, 2023
6LUB
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BU of 6lub by Molmil
Crystal Structure of EGFR(L858R/T790M/C797S) in complex with CH7233163
Descriptor: Epidermal growth factor receptor, N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-7-(4-methylpiperazin-1-yl)-5-propan-2-yl-9-[2,2,2-tris(fluoranyl)ethoxy]pyrido[4,3-b]indol-3-amine
Authors:Kawauchi, H, Fukami, T.A, Sato, S, Endo, M, Torizawa, T, Kashima, K, Chiba, T, Sakamoto, H.
Deposit date:2020-01-27
Release date:2020-10-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.315 Å)
Cite:CH7233163 Overcomes Osimertinib-Resistant EGFR-Del19/T790M/C797S Mutation.
Mol.Cancer Ther., 19, 2020
1V40
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BU of 1v40 by Molmil
First Inhibitor Complex Structure of Human Hematopoietic Prostaglandin D Synthase
Descriptor: 3-(1,3-BENZOTHIAZOL-2-YL)-2-(1,4-DIOXO-1,2,3,4-TETRAHYDROPHTHALAZIN-6-YL)-5-[(E)-2-PHENYLVINYL]-3H-TETRAAZOL-2-IUM, GLUTATHIONE, GLYCEROL, ...
Authors:Inoue, T, Okano, Y, Kado, Y, Aritake, K, Irikura, D, Uodome, N, Kinugasa, S, Okazaki, N, Matsumura, H, Kai, Y, Urade, Y.
Deposit date:2003-11-07
Release date:2004-11-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:First determination of the inhibitor complex structure of human hematopoietic prostaglandin D synthase.
J.Biochem.(Tokyo), 135, 2004
6LUD
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BU of 6lud by Molmil
Crystal Structure of EGFR(L858R/T790M/C797S) in complex with Osimertinib
Descriptor: Epidermal growth factor receptor, N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide
Authors:Kawauchi, H, Fukami, T.A, Sato, S, Endo, M, Torizawa, T, Kashima, K, Chiba, T, Sakamoto, H.
Deposit date:2020-01-27
Release date:2020-10-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:CH7233163 Overcomes Osimertinib-Resistant EGFR-Del19/T790M/C797S Mutation.
Mol.Cancer Ther., 19, 2020
7EKD
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BU of 7ekd by Molmil
Crystal structure of gibberellin 3-oxidase 2 (GA3ox2) in rice
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-OXOGLUTARIC ACID, Gibberellin 3-beta-dioxygenase 2, ...
Authors:Takehara, S, Kawai, K, Mikami, B, Ueguchi-Tanaka, M.
Deposit date:2021-04-05
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.899 Å)
Cite:Evolutionary alterations in gene expression and enzymatic activities of gibberellin 3-oxidase 1 in Oryza.
Commun Biol, 5, 2022
3FVG
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BU of 3fvg by Molmil
Crystal structure of the human glutamate receptor, GluR5, ligand-binding core in complex with MSVIII-19 in space group P1
Descriptor: (2R,3aR,7aR)-2-[(2S)-2-amino-3-hydroxy-3-oxo-propyl]-3,3a,5,6,7,7a-hexahydrofuro[4,5-b]pyran-2-carboxylic acid, GLYCEROL, Glutamate receptor, ...
Authors:Unno, M, Sasaki, M, Ikeda-Saito, M.
Deposit date:2009-01-15
Release date:2010-01-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Binding and Selectivity of the Marine Toxin Neodysiherbaine A and Its Synthetic Analogues to GluK1 and GluK2 Kainate Receptors.
J.Mol.Biol., 413, 2011
7MCK
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BU of 7mck by Molmil
Structure of CHK1 10-pt. mutant complex with LRRK2 inhibitor 18
Descriptor: N-{5-[(3S)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)pyridin-3-yl}-6-(1-methyl-1H-pyrazol-4-yl)pyridine-2-carboxamide, Serine/threonine-protein kinase Chk1
Authors:Palte, R.
Deposit date:2021-04-02
Release date:2021-06-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Optimization of brain-penetrant picolinamide derived leucine-rich repeat kinase 2 (LRRK2) inhibitors.
Rsc Med Chem, 12, 2021
3WOR
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BU of 3wor by Molmil
Crystal structure of the DAP BII octapeptide complex
Descriptor: Angiotensin II, GLYCEROL, ZINC ION, ...
Authors:Sakamoto, Y, Suzuki, Y, Iizuka, I, Tateoka, C, Roppongi, S, Fujimoto, M, Nonaka, T, Ogasawara, W, Tanaka, N.
Deposit date:2013-12-29
Release date:2014-09-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:S46 peptidases are the first exopeptidases to be members of clan PA
SCI REP, 4, 2014
1DTT
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BU of 1dtt by Molmil
CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH PETT-2 (PETT130A94)
Descriptor: HIV-1 RT A-CHAIN, HIV-1 RT B-CHAIN, N-[[3-FLUORO-4-ETHOXY-PYRID-2-YL]ETHYL]-N'-[5-CHLORO-PYRIDYL]-THIOUREA
Authors:Ren, J, Diprose, J, Warren, J, Esnouf, R.M, Bird, L.E, Ikemizu, S, Slater, M, Milton, J, Balzarini, J, Stuart, D.I, Stammers, D.K.
Deposit date:2000-01-13
Release date:2000-04-02
Last modified:2014-11-12
Method:X-RAY DIFFRACTION (3 Å)
Cite:Phenylethylthiazolylthiourea (PETT) non-nucleoside inhibitors of HIV-1 and HIV-2 reverse transcriptases. Structural and biochemical analyses.
J.Biol.Chem., 275, 2000
1DTQ
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BU of 1dtq by Molmil
CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH PETT-1 (PETT131A94)
Descriptor: HIV-1 RT A-CHAIN, HIV-1 RT B-CHAIN, N-[[3-FLUORO-4-ETHOXY-PYRID-2-YL]ETHYL]-N'-[5-NITRILOMETHYL-PYRIDYL]-THIOUREA
Authors:Ren, J, Diprose, J, Warren, J, Esnouf, R.M, Bird, L.E, Ikemizu, S, Slater, M, Milton, J, Balzarini, J, Stuart, D.I, Stammers, D.K.
Deposit date:2000-01-13
Release date:2000-03-20
Last modified:2014-11-12
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Phenylethylthiazolylthiourea (PETT) non-nucleoside inhibitors of HIV-1 and HIV-2 reverse transcriptases. Structural and biochemical analyses.
J.Biol.Chem., 275, 2000
3WOM
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BU of 3wom by Molmil
Crystal structure of the DAP BII dipeptide complex II
Descriptor: GLYCEROL, TYROSINE, VALINE, ...
Authors:Sakamoto, Y, Suzuki, Y, Iizuka, I, Tateoka, C, Roppongi, S, Fujimoto, M, Nonaka, T, Ogasawara, W, Tanaka, N.
Deposit date:2013-12-29
Release date:2014-09-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:S46 peptidases are the first exopeptidases to be members of clan PA
SCI REP, 4, 2014
3WOI
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BU of 3woi by Molmil
Crystal structure of the DAP BII (S657A)
Descriptor: GLYCEROL, ZINC ION, dipeptidyl aminopeptidase BII
Authors:Sakamoto, Y, Suzuki, Y, Iizuka, I, Tateoka, C, Roppongi, S, Fujimoto, M, Nonaka, T, Ogasawara, W, Tanaka, N.
Deposit date:2013-12-29
Release date:2014-09-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:S46 peptidases are the first exopeptidases to be members of clan PA
SCI REP, 4, 2014
3A8W
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BU of 3a8w by Molmil
Crystal Structure of PKCiota kinase domain
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Protein kinase C iota type, SULFATE ION
Authors:Takimura, T, Kamata, K.
Deposit date:2009-10-11
Release date:2010-05-05
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of the PKC-iota kinase domain in its ATP-bound and apo forms reveal defined structures of residues 533-551 in the C-terminal tail and their roles in ATP binding
Acta Crystallogr.,Sect.D, 66, 2010
5XSO
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BU of 5xso by Molmil
Crystal structure of full-length FixJ from B. japonicum crystallized in space group C2221
Descriptor: FORMIC ACID, GLYCEROL, Response regulator FixJ
Authors:Nishizono, Y, Hisano, T, Sawai, H, Shiro, Y, Nakamura, H, Wright, G.S.A, Saeki, A, Hikima, T, Yamamoto, M, Antonyuk, S.V, Hasnain, S.S.
Deposit date:2017-06-14
Release date:2018-05-23
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.778 Å)
Cite:Architecture of the complete oxygen-sensing FixL-FixJ two-component signal transduction system.
Sci Signal, 11, 2018
3A8X
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BU of 3a8x by Molmil
Crystal Structure of PKCiota kinase domain
Descriptor: Protein kinase C iota type, SULFATE ION
Authors:Takimura, T, Kamata, K.
Deposit date:2009-10-11
Release date:2010-05-05
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of the PKC-iota kinase domain in its ATP-bound and apo forms reveal defined structures of residues 533-551 in the C-terminal tail and their roles in ATP binding
Acta Crystallogr.,Sect.D, 66, 2010
2RVD
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BU of 2rvd by Molmil
NMR STRUCTURE of A MUTANT OF CHIGNOLIN, CLN025
Descriptor: CLN025
Authors:Kato, Y, Ishimura, M, Honda, S.
Deposit date:2015-07-14
Release date:2015-08-12
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Crystal structure of a ten-amino acid protein
J.Am.Chem.Soc., 130, 2008

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