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1BWV
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BU of 1bwv by Molmil
Activated Ribulose 1,5-Bisphosphate Carboxylase/Oxygenase (RUBISCO) Complexed with the Reaction Intermediate Analogue 2-Carboxyarabinitol 1,5-Bisphosphate
Descriptor: 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, PROTEIN (RIBULOSE BISPHOSPHATE CARBOXYLASE)
Authors:Sugawara, H, Yamamoto, H, Shibata, N, Inoue, T, Miyake, C, Yokota, A, Kai, Y.
Deposit date:1998-09-29
Release date:1999-09-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of carboxylase reaction-oriented ribulose 1, 5-bisphosphate carboxylase/oxygenase from a thermophilic red alga, Galdieria partita.
J.Biol.Chem., 274, 1999
1WMZ
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BU of 1wmz by Molmil
Crystal Structure of C-type Lectin CEL-I complexed with N-acetyl-D-galactosamine
Descriptor: 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-galactopyranose, CALCIUM ION, ...
Authors:Sugawara, H, Kusunoki, M, Kurisu, G, Fujimoto, T, Aoyagi, H, Hatakeyama, T.
Deposit date:2004-07-22
Release date:2004-09-07
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Characteristic Recognition of N-Acetylgalactosamine by an Invertebrate C-type Lectin, CEL-I, Revealed by X-ray Crystallographic Analysis
J.Biol.Chem., 279, 2004
1WMY
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BU of 1wmy by Molmil
Crystal Structure of C-type Lectin CEL-I from Cucumaria echinata
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, lectin CEL-I, ...
Authors:Sugawara, H, Kusunoki, M, Kurisu, G, Fujimoto, T, Aoyagi, H, Hatakeyama, T.
Deposit date:2004-07-22
Release date:2004-09-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Characteristic Recognition of N-Acetylgalactosamine by an Invertebrate C-type Lectin, CEL-I, Revealed by X-ray Crystallographic Analysis
J.Biol.Chem., 279, 2004
1BYO
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BU of 1byo by Molmil
WILD-TYPE PLASTOCYANIN FROM SILENE
Descriptor: COPPER (II) ION, PROTEIN (PLASTOCYANIN)
Authors:Sugawara, H, Inoue, T, Li, C, Gotowda, M, Hibino, T, Takabe, T, Kai, Y.
Deposit date:1998-10-19
Release date:1999-10-15
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of wild-type and mutant plastocyanins from a higher plant, Silene.
J.Biochem.(Tokyo), 125, 1999
1BYP
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BU of 1byp by Molmil
E43K,D44K DOUBLE MUTANT PLASTOCYANIN FROM SILENE
Descriptor: COPPER (II) ION, PROTEIN (PLASTOCYANIN)
Authors:Sugawara, H, Inoue, T, Li, C, Gotowda, M, Hibino, T, Takabe, T, Kai, Y.
Deposit date:1998-10-19
Release date:1999-10-19
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structures of wild-type and mutant plastocyanins from a higher plant, Silene.
J.Biochem.(Tokyo), 125, 1999
1WN0
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BU of 1wn0 by Molmil
Crystal Structure of Histidine-containing Phosphotransfer Protein, ZmHP2, from maize
Descriptor: histidine-containing phosphotransfer protein
Authors:Sugawara, H, Kawano, Y, Hatakeyama, T, Yamaya, T, Kamiya, N, Sakakibara, H, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2004-07-24
Release date:2005-01-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of the histidine-containing phosphotransfer protein ZmHP2 from maize
Protein Sci., 14, 2005
6AHS
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BU of 6ahs by Molmil
Mouse Kallikrein 7 in complex with imidazolinylindole derivative
Descriptor: 1-[(2-chlorophenyl)sulfonyl]-5-methyl-3-[(4R)-2-methyl-4,5-dihydro-1H-imidazol-4-yl]-1H-indole, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
Authors:Sugawara, H.
Deposit date:2018-08-20
Release date:2019-01-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Discovery and structure-activity relationship of imidazolinylindole derivatives as kallikrein 7 inhibitors.
Bioorg. Med. Chem. Lett., 29, 2019
5ZFI
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BU of 5zfi by Molmil
Mouse kallikrein 7 in complex with 6-benzyl-1,4-diazepan-7-one derivative
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[(3Z,6R)-6-[(2,6-dichlorophenyl)methyl]-3-(dimethylhydrazinylidene)-7-oxo-1,4-diazepan-1-yl]-N-[3-(1-methyl-1H-pyrazol-4-yl)phenyl]acetamide, Kallikrein-7
Authors:Sugawara, H.
Deposit date:2018-03-06
Release date:2018-06-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-based drug design to overcome species differences in kallikrein 7 inhibition of 1,3,6-trisubstituted 1,4-diazepan-7-ones.
Bioorg. Med. Chem., 26, 2018
5ZFH
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BU of 5zfh by Molmil
Mouse Kallikrein 7
Descriptor: Kallikrein-7
Authors:Sugawara, H.
Deposit date:2018-03-06
Release date:2018-06-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Structure-based drug design to overcome species differences in kallikrein 7 inhibition of 1,3,6-trisubstituted 1,4-diazepan-7-ones.
Bioorg. Med. Chem., 26, 2018
5Y9L
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BU of 5y9l by Molmil
Human kallikrein 7 in complex with 1,3,6-trisubstituted 1,4-diazepane-7-one
Descriptor: 3-[2-[(3Z,6R)-6-[(5-chloranyl-2-methoxy-phenyl)methyl]-3-(dimethylhydrazinylidene)-7-oxidanylidene-1,4-diazepan-1-yl]ethanoylamino]benzoic acid, CHLORIDE ION, Kallikrein-7
Authors:Sugawara, H.
Deposit date:2017-08-25
Release date:2017-11-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Discovery and structure-activity relationship study of 1,3,6-trisubstituted 1,4-diazepane-7-ones as novel human kallikrein 7 inhibitors
Bioorg. Med. Chem. Lett., 27, 2017
5YJK
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BU of 5yjk by Molmil
Human kallikrein 7 in complex with 1,4-diazepane-7-one 1-acetamide derivative
Descriptor: (R)-2-(6-(5-chloro-2-methoxybenzyl)-3-(2,2-dimethylhydrazono)-7-oxo-1,4-diazepan-1-yl)-N-(3-(methylsulfonyl)phenyl)acetamide, CHLORIDE ION, Kallikrein-7
Authors:Sugawara, H.
Deposit date:2017-10-11
Release date:2017-12-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery and structure-activity relationship study of 1,3,6-trisubstituted 1,4-diazepane-7-ones as novel human kallikrein 7 inhibitors
Bioorg. Med. Chem. Lett., 27, 2017
5YJP
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BU of 5yjp by Molmil
Human chymase in complex with 3-(ethoxyimino)-7-oxo-1,4-diazepane derivative
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-((R)-1-((R,Z)-6-(5-chloro-2-methoxybenzyl)-3-(ethoxyimino)-7-oxo-1,4-diazepane-1-carboxamido)propyl)benzoic acid, ZINC ION, ...
Authors:Sugawara, H.
Deposit date:2017-10-11
Release date:2017-12-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-based design, synthesis, and binding mode analysis of novel and potent chymase inhibitors
Bioorg. Med. Chem. Lett., 28, 2018
6J6U
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BU of 6j6u by Molmil
Rat PTPRZ D1-D2 domain
Descriptor: Receptor-type tyrosine-protein phosphatase zeta
Authors:Sugawara, H.
Deposit date:2019-01-15
Release date:2019-08-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.32 Å)
Cite:A head-to-toe dimerization has physiological relevance for ligand-induced inactivation of protein tyrosine receptor type Z.
J.Biol.Chem., 294, 2019
5YJM
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BU of 5yjm by Molmil
Human chymase in complex with 7-oxo-3-(phenoxyimino)-1,4-diazepane derivative
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-4-((R)-1-((R,Z)-6-(5-chloro-2-methoxybenzyl)-7-oxo-3-(phenoxyimino)-1,4-diazepane-1-carboxamido)propyl)benzoic acid, ZINC ION, ...
Authors:Sugawara, H.
Deposit date:2017-10-11
Release date:2017-12-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-based design, synthesis, and binding mode analysis of novel and potent chymase inhibitors
Bioorg. Med. Chem. Lett., 28, 2018
5H08
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BU of 5h08 by Molmil
Human PTPRZ D1 domain complexed with NAZ2329
Descriptor: 3-{[2-Ethoxy-5-(trifluoromethyl)benzyl]sulfanyl}-N-(phenylsulfonyl)thiophene-2-carboxamide, Receptor-type tyrosine-protein phosphatase zeta
Authors:Sugawara, H.
Deposit date:2016-10-04
Release date:2017-07-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Targeting PTPRZ inhibits stem cell-like properties and tumorigenicity in glioblastoma cells
Sci Rep, 7, 2017
5AWX
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BU of 5awx by Molmil
Crystal structure of Human PTPRZ D1 domain
Descriptor: BROMIDE ION, Receptor-type tyrosine-protein phosphatase zeta
Authors:Sugawara, H.
Deposit date:2015-07-10
Release date:2016-02-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Small-molecule inhibition of PTPRZ reduces tumor growth in a rat model of glioblastoma
Sci Rep, 6, 2016
3CUL
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BU of 3cul by Molmil
Aminoacyl-tRNA synthetase ribozyme
Descriptor: MAGNESIUM ION, POTASSIUM ION, RNA (92-MER), ...
Authors:Xiao, H, Murakami, H, Suga, H, Ferre-D'Amare, A.R.
Deposit date:2008-04-16
Release date:2008-06-24
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis of specific tRNA aminoacylation by a small in vitro selected ribozyme.
Nature, 454, 2008
3CUN
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BU of 3cun by Molmil
Aminoacyl-tRNA synthetase ribozyme
Descriptor: COBALT (II) ION, MAGNESIUM ION, POTASSIUM ION, ...
Authors:Xiao, H, Murakami, H, Suga, H, Ferre-D'Amare, A.R.
Deposit date:2008-04-16
Release date:2008-06-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis of specific tRNA aminoacylation by a small in vitro selected ribozyme.
Nature, 454, 2008
7QPB
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BU of 7qpb by Molmil
Catalytic C-lobe of the HECT-type ubiquitin ligase E6AP in complex with a hybrid foldamer-peptide macrocycle
Descriptor: Isoform I of Ubiquitin-protein ligase E3A, hybrid foldamer-peptide macrocycle
Authors:Dengler, S, Howard, R.T, Morozov, V, Tsiamantas, C, Douat, C, Suga, H, Huc, I.
Deposit date:2022-01-03
Release date:2023-09-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.342 Å)
Cite:Display Selection of a Hybrid Foldamer-Peptide Macrocycle.
Angew.Chem.Int.Ed.Engl., 62, 2023
8JE4
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BU of 8je4 by Molmil
Crystal structure of LimF prenyltransferase (H239G/W273T mutant) bound with the thiodiphosphate moiety of farnesyl S-thiolodiphosphate (FSPP)
Descriptor: MAGNESIUM ION, TRIHYDROGEN THIODIPHOSPHATE, prenyltransferase, ...
Authors:Hamada, K, Oguni, A, Zhang, Y, Satake, M, Goto, Y, Suga, H, Ogata, K, Sengoku, T.
Deposit date:2023-05-15
Release date:2023-11-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Switching Prenyl Donor Specificities of Cyanobactin Prenyltransferases.
J.Am.Chem.Soc., 145, 2023
8WM0
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BU of 8wm0 by Molmil
Crystal structure of TNIK-thiopeptide wTP3 complex
Descriptor: ADENOSINE, THIOPEPTIDE wTP3, TRAF2 and NCK-interacting protein kinase
Authors:Hamada, K, Kobayashi, S, Vinogradov, A.A, Zhang, Y, Goto, Y, Suga, H, Ogata, K, Sengoku, T.
Deposit date:2023-10-01
Release date:2024-03-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A Compact Reprogrammed Genetic Code for De Novo Discovery of Proteolytically Stable Thiopeptides.
J.Am.Chem.Soc., 2024
8YE0
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BU of 8ye0 by Molmil
Crystal structure of KgpF prenyltransferase
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, LynF/TruF/PatF family peptide O-prenyltransferase, MAGNESIUM ION, ...
Authors:Hamada, K, Inoue, S, Goto, Y, Suga, H, Ogata, K, Sengoku, T.
Deposit date:2024-02-21
Release date:2024-06-19
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:De Novo Discovery of Pseudo-Natural Prenylated Macrocyclic Peptide Ligands.
Angew.Chem.Int.Ed.Engl., 2024
7XZR
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BU of 7xzr by Molmil
Crystal structure of TNIK-AMPPNP-thiopeptide TP15 complex
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SULFATE ION, ...
Authors:Hamada, K, Vinogradov, A.A, Zhang, Y, Chang, J.S, Nishimura, H, Goto, Y, Onaka, H, Suga, H, Ogata, K, Sengoku, T.
Deposit date:2022-06-03
Release date:2022-10-26
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:De Novo Discovery of Thiopeptide Pseudo-natural Products Acting as Potent and Selective TNIK Kinase Inhibitors.
J.Am.Chem.Soc., 144, 2022
7XZQ
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BU of 7xzq by Molmil
Crystal structure of TNIK-thiopeptide TP1 complex
Descriptor: 1,4-BUTANEDIOL, TRAF2 and NCK-interacting protein kinase, thiopeptide TP1
Authors:Hamada, K, Vinogradov, A.A, Zhang, Y, Chang, J.S, Nishimura, H, Goto, Y, Onaka, H, Suga, H, Ogata, K, Sengoku, T.
Deposit date:2022-06-03
Release date:2022-10-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:De Novo Discovery of Thiopeptide Pseudo-natural Products Acting as Potent and Selective TNIK Kinase Inhibitors.
J.Am.Chem.Soc., 144, 2022
6WGN
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BU of 6wgn by Molmil
Crystal structure of K-Ras(G12D) GppNHp bound to cyclic peptide ligand KD2
Descriptor: Cyclic Peptide KD2, GTPase KRas, MAGNESIUM ION, ...
Authors:Zhang, Z, Gao, R, Hu, Q, Peacock, H, Peacock, D.M, Shokat, K.M, Suga, H.
Deposit date:2020-04-06
Release date:2020-10-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:GTP-State-Selective Cyclic Peptide Ligands of K-Ras(G12D) Block Its Interaction with Raf.
Acs Cent.Sci., 6, 2020

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