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8GZC
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BU of 8gzc by Molmil
Crystal structure of EP300 HAT domain in complex with compound 10
Descriptor: (2~{R},4~{R})-4-fluoranyl-1-[1-(4-methoxyphenyl)cyclohexyl]carbonyl-~{N}-(1~{H}-pyrazolo[4,3-b]pyridin-5-yl)pyrrolidine-2-carboxamide, Histone acetyltransferase p300, ZINC ION
Authors:Takahashi, M, Hanzawa, H.
Deposit date:2022-09-26
Release date:2023-01-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of DS-9300: A Highly Potent, Selective, and Once-Daily Oral EP300/CBP Histone Acetyltransferase Inhibitor.
J.Med.Chem., 66, 2023
6IPW
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BU of 6ipw by Molmil
Crystal structure of CqsB2 from Streptomyces exfoliatus in complex with the product, 1-(2-hydroxypropyl)-2-methyl-carbazole-3,4-dione
Descriptor: 2-methyl-1-[(2R)-2-oxidanylpropyl]-9H-carbazole-3,4-dione, CqsB2
Authors:Tomita, T, Kobayashi, M, Nishiyama, M, Kuzuyama, T.
Deposit date:2018-11-05
Release date:2019-10-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:An Unprecedented Cyclization Mechanism in the Biosynthesis of Carbazole Alkaloids in Streptomyces.
Angew.Chem.Int.Ed.Engl., 58, 2019
6IPV
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BU of 6ipv by Molmil
Crystal structure of CqsB2 from Streptomyces exfoliatus 2419-SVT2 (apo form)
Descriptor: CqsB2
Authors:Tomita, T, Kobayashi, M, Nishiyama, M, Kuzuyama, T.
Deposit date:2018-11-05
Release date:2019-10-16
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:An Unprecedented Cyclization Mechanism in the Biosynthesis of Carbazole Alkaloids in Streptomyces.
Angew.Chem.Int.Ed.Engl., 58, 2019
4YT1
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BU of 4yt1 by Molmil
Human PPAR Gamma Ligand Binding Domain in complex with a Gammma Selective Synthetic Partial Agonist MEKT76
Descriptor: N-(benzylsulfonyl)-4-propoxy-3-({[4-(pyrimidin-2-yl)benzoyl]amino}methyl)benzamide, Peroxisome proliferator-activated receptor gamma
Authors:Oyama, T, Ohashi, M, Miyachi, H, Kusunoki, M.
Deposit date:2015-03-17
Release date:2016-03-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Peroxisome proliferator-activated receptor gamma (PPAR gamma ) has multiple binding points that accommodate ligands in various conformations: Structurally similar PPAR gamma partial agonists bind to PPAR gamma LBD in different conformations
Bioorg.Med.Chem.Lett., 25, 2015
1LMT
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BU of 1lmt by Molmil
STRUCTURE OF A CONFORMATIONALLY CONSTRAINED ARG-GLY-ASP SEQUENCE INSERTED INTO HUMAN LYSOZYME
Descriptor: 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, CHLORIDE ION, HUMAN LYSOZYME
Authors:Matsushima, M, Song, H.
Deposit date:1995-01-13
Release date:1995-03-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of a conformationally constrained Arg-Gly-Asp sequence inserted into human lysozyme.
J.Biol.Chem., 270, 1995
6LOP
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BU of 6lop by Molmil
Crystal Structure of Class IB terpene synthase bound with geranylgeraniol
Descriptor: (2~{E},6~{E},10~{E})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol, Tetraprenyl-beta-curcumene synthase
Authors:Fujihashi, M, Inagi, H, Miki, K.
Deposit date:2020-01-07
Release date:2020-11-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Characterization of Class IB Terpene Synthase: The First Crystal Structure Bound with a Substrate Surrogate.
Acs Chem.Biol., 15, 2020
6LUR
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BU of 6lur by Molmil
Human PUF60 UHM domain (thioredoxin fusion) in complex with a small molecule binder
Descriptor: 4-[2-[4-(aminomethyl)phenyl]phenyl]piperazin-2-one, Thioredoxin 1,Poly(U)-binding-splicing factor PUF60
Authors:Takahashi, M, Hanzawa, H.
Deposit date:2020-01-30
Release date:2020-04-29
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Revisiting biomolecular NMR spectroscopy for promoting small-molecule drug discovery.
J.Biomol.Nmr, 74, 2020
1C08
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BU of 1c08 by Molmil
CRYSTAL STRUCTURE OF HYHEL-10 FV-HEN LYSOZYME COMPLEX
Descriptor: ANTI-HEN EGG WHITE LYSOZYME ANTIBODY (HYHEL-10), LYSOZYME
Authors:Shiroishi, M, Kondo, H, Matsushima, M, Tsumoto, K, Kumagai, I.
Deposit date:1999-07-15
Release date:2000-07-19
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of anti-Hen egg white lysozyme antibody (HyHEL-10) Fv-antigen complex. Local structural changes in the protein antigen and water-mediated interactions of Fv-antigen and light chain-heavy chain interfaces.
J.Biol.Chem., 274, 1999
6J6Y
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BU of 6j6y by Molmil
FGFR4 D2 - Fab complex
Descriptor: Fab Heavy chain, Fab light chain, Fibroblast growth factor receptor 4
Authors:Takahashi, M, Hanzawa, H.
Deposit date:2019-01-16
Release date:2019-08-07
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Preclinical Development of U3-1784, a Novel FGFR4 Antibody Against Cancer, and Avoidance of Its On-target Toxicity.
Mol.Cancer Ther., 18, 2019
1LZ6
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BU of 1lz6 by Molmil
STRUCTURAL AND FUNCTIONAL ANALYSES OF THE ARG-GLY-ASP SEQUENCE INTRODUCED INTO HUMAN LYSOZYME
Descriptor: CHLORIDE ION, HUMAN LYSOZYME
Authors:Matsushima, M, Inaka, K, Yamada, T, Sekiguchi, K, Kikuchi, M.
Deposit date:1993-02-03
Release date:1993-10-31
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and functional analyses of the Arg-Gly-Asp sequence introduced into human lysozyme.
J.Biol.Chem., 268, 1993
8HVA
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BU of 8hva by Molmil
Crystal structure of EGFR_TMX in complex with covalently bound compound 14
Descriptor: Epidermal growth factor receptor, ~{N}-[6-(1-methylindol-3-yl)pyrimidin-4-yl]prop-2-enamide
Authors:Takahashi, M, Dokurno, P.
Deposit date:2022-12-26
Release date:2023-12-13
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase.
Rsc Med Chem, 14, 2023
1LZ5
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BU of 1lz5 by Molmil
STRUCTURAL AND FUNCTIONAL ANALYSES OF THE ARG-GLY-ASP SEQUENCE INTRODUCED INTO HUMAN LYSOZYME
Descriptor: CHLORIDE ION, HUMAN LYSOZYME
Authors:Matsushima, M, Inaka, K, Yamada, T, Sekiguchi, K, Kikuchi, M.
Deposit date:1993-02-03
Release date:1993-10-31
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and functional analyses of the Arg-Gly-Asp sequence introduced into human lysozyme.
J.Biol.Chem., 268, 1993
8XJ0
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BU of 8xj0 by Molmil
Crystal structure of AmFab mutant - P40C/E165C (Light chain), G10C/P210C(Heavy chain)
Descriptor: Adalimumab Fab Heavy chain, Adalimumab Fab Light chain
Authors:Senda, M, Yoshikawa, M, Nakamura, H, Ohkuri, T, Senda, T.
Deposit date:2023-12-20
Release date:2024-02-14
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Stabilization of adalimumab Fab through the introduction of disulfide bonds between the variable and constant domains.
Biochem.Biophys.Res.Commun., 700, 2024
3KBZ
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BU of 3kbz by Molmil
Crystal structure of human liver FBPase in complex with tricyclic inhibitor 6
Descriptor: Fructose-1,6-bisphosphatase 1, {[(2-amino-8H-indeno[1,2-d][1,3]thiazol-4-yl)oxy]methyl}phosphonic acid
Authors:Takahashi, M, Sone, J, Hanzawa, H.
Deposit date:2009-10-20
Release date:2010-02-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structure-based drug design of tricyclic 8H-indeno[1,2-d][1,3]thiazoles as potent FBPase inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3KC1
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BU of 3kc1 by Molmil
Crystal structure of human liver FBPase in complex with tricyclic inhibitor 19a
Descriptor: Fructose-1,6-bisphosphatase 1, {[(7-carbamoyl-8H-indeno[1,2-d][1,3]thiazol-4-yl)oxy]methyl}phosphonic acid
Authors:Takahashi, M, Sone, J, Hanzawa, H.
Deposit date:2009-10-20
Release date:2010-02-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure-based drug design of tricyclic 8H-indeno[1,2-d][1,3]thiazoles as potent FBPase inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3KC0
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BU of 3kc0 by Molmil
Crystal structure of human liver FBPase in complex with tricyclic inhibitor 10b
Descriptor: Fructose-1,6-bisphosphatase 1, [(8H-indeno[1,2-d][1,3]thiazol-4-yloxy)methyl]phosphonic acid
Authors:Takahashi, M, Sone, J, Hanzawa, H.
Deposit date:2009-10-20
Release date:2010-02-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-based drug design of tricyclic 8H-indeno[1,2-d][1,3]thiazoles as potent FBPase inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
7DKJ
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BU of 7dkj by Molmil
Hemagglutinin Influenza A virus (A/Okuda/1957(H2N2) bound with a neutralizing antibody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fv-clasp heavy chain, Fv-clasp light chain, ...
Authors:Shirouzu, M.
Deposit date:2020-11-24
Release date:2021-11-24
Last modified:2023-06-14
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Hemagglutinin Influenza A virus (A/Okuda/1957(H2N2) bound with a neutralizing antibody
To Be Published
2MGZ
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BU of 2mgz by Molmil
Solution structure of RBFOX family ASD-1 RRM and SUP-12 RRM in ternary complex with RNA
Descriptor: Protein ASD-1, isoform a, Protein SUP-12, ...
Authors:Takahashi, M, Kuwasako, K, Unzai, S, Tsuda, K, Yoshikawa, S, He, F, Kobayashi, N, Guntert, P, Shirouzu, M, Ito, T, Tanaka, A, Yokoyama, S, Hagiwara, M, Kuroyanagi, H, Muto, Y.
Deposit date:2013-11-12
Release date:2014-08-13
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:RBFOX and SUP-12 sandwich a G base to cooperatively regulate tissue-specific splicing
Nat.Struct.Mol.Biol., 21, 2014
5YC5
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BU of 5yc5 by Molmil
Crystal structure of human IgG-Fc in complex with aglycan and optimized Fc gamma receptor IIIa
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Immunoglobulin gamma-1 heavy chain, ...
Authors:Caaveiro, J.M.M, Tamura, H, Tsumoto, K, Kiyoshi, M.
Deposit date:2017-09-06
Release date:2018-03-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Assessing the Heterogeneity of the Fc-Glycan of a Therapeutic Antibody Using an engineered Fc gamma Receptor IIIa-Immobilized Column.
Sci Rep, 8, 2018
5Y25
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BU of 5y25 by Molmil
EGFR kinase domain mutant (T790M/L858R) with covalent ligand NS-062
Descriptor: (2R)-N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]-1-(2-fluoranylethanoyl)pyrrolidine-2-carboxamide, Epidermal growth factor receptor
Authors:Shiroishi, M, Abe, Y, Caaveiro, J.M.M, Sakamoto, S, Morimoto, S, Fuchida, H, Shindo, N, Ojida, A.
Deposit date:2017-07-24
Release date:2018-07-25
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.102 Å)
Cite:Selective and reversible modification of kinase cysteines with chlorofluoroacetamides.
Nat.Chem.Biol., 15, 2019
1LZS
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BU of 1lzs by Molmil
STRUCTURAL CHANGES OF THE ACTIVE SITE CLEFT AND DIFFERENT SACCHARIDE BINDING MODES IN HUMAN LYSOZYME CO-CRYSTALLIZED WITH HEXA-N-ACETYL-CHITOHEXAOSE AT PH 4.0
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-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, HUMAN LYSOZYME, ...
Authors:Matsushima, M, Song, H.
Deposit date:1994-09-14
Release date:1995-04-20
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural changes of active site cleft and different saccharide binding modes in human lysozyme co-crystallized with hexa-N-acetyl-chitohexaose at pH 4.0.
J.Mol.Biol., 244, 1994
1LZR
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BU of 1lzr by Molmil
STRUCTURAL CHANGES OF THE ACTIVE SITE CLEFT AND DIFFERENT SACCHARIDE BINDING MODES IN HUMAN LYSOZYME CO-CRYSTALLIZED WITH HEXA-N-ACETYL-CHITOHEXAOSE AT PH 4.0
Descriptor: 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, CHLORIDE ION, HUMAN LYSOZYME
Authors:Matsushima, M, Inaka, K.
Deposit date:1994-09-14
Release date:1995-04-20
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural changes of active site cleft and different saccharide binding modes in human lysozyme co-crystallized with hexa-N-acetyl-chitohexaose at pH 4.0.
J.Mol.Biol., 244, 1994
6JAR
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BU of 6jar by Molmil
Crystal structure of ABC transporter alpha-glycoside-binding mutant protein R49A in complex with maltose
Descriptor: 1,2-ETHANEDIOL, ABC transporter, periplasmic substrate-binding protein, ...
Authors:Kanaujia, S.P, Chandravanshi, M, Gogoi, P.
Deposit date:2019-01-24
Release date:2019-10-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Structural and thermodynamic correlation illuminates the selective transport mechanism of disaccharide alpha-glycosides through ABC transporter.
Febs J., 287, 2020
6J9W
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BU of 6j9w by Molmil
Crystal structure of ABC transporter alpha-glycoside-binding protein in complex with trehalose
Descriptor: 1,2-ETHANEDIOL, ABC transporter, periplasmic substrate-binding protein, ...
Authors:Kanaujia, S.P, Chandravanshi, M, Gogoi, P.
Deposit date:2019-01-24
Release date:2019-10-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and thermodynamic correlation illuminates the selective transport mechanism of disaccharide alpha-glycosides through ABC transporter.
Febs J., 287, 2020
6JAD
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BU of 6jad by Molmil
Crystal structure of ABC transporter alpha-glycoside-binding protein in complex with palatinose
Descriptor: ABC transporter, periplasmic substrate-binding protein, CITRIC ACID, ...
Authors:Kanaujia, S.P, Chandravanshi, M, Gogoi, P.
Deposit date:2019-01-24
Release date:2019-10-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and thermodynamic correlation illuminates the selective transport mechanism of disaccharide alpha-glycosides through ABC transporter.
Febs J., 287, 2020

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數據於2024-11-06公開中

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