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2YQH
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BU of 2yqh by Molmil
Crystal structure of uridine-diphospho-N-acetylglucosamine pyrophosphorylase from Candida albicans, in the substrate-binding form
Descriptor: 2-acetamido-2-deoxy-1-O-phosphono-alpha-D-glucopyranose, GLYCEROL, MAGNESIUM ION, ...
Authors:Miki, K, Maruyama, D, Nishitani, Y, Nonaka, T, Kita, A.
Deposit date:2007-03-30
Release date:2007-05-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of Uridine-diphospho-N-acetylglucosamine Pyrophosphorylase from Candida albicans and Catalytic Reaction Mechanism
J.Biol.Chem., 282, 2007
2YQS
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BU of 2yqs by Molmil
Crystal structure of uridine-diphospho-N-acetylglucosamine pyrophosphorylase from Candida albicans, in the product-binding form
Descriptor: GLYCEROL, MAGNESIUM ION, SULFATE ION, ...
Authors:Miki, K, Maruyama, D, Nishitani, Y, Nonaka, T, Kita, A.
Deposit date:2007-03-30
Release date:2007-05-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of Uridine-diphospho-N-acetylglucosamine Pyrophosphorylase from Candida albicans and Catalytic Reaction Mechanism
J.Biol.Chem., 282, 2007
2YQC
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BU of 2yqc by Molmil
Crystal Structure of uridine-diphospho-N-acetylglucosamine pyrophosphorylase from Candida albicans, in the apo-like form
Descriptor: GLYCEROL, MAGNESIUM ION, UDP-N-acetylglucosamine pyrophosphorylase
Authors:Miki, K, Maruyama, D, Nishitani, Y, Nonaka, T, Kita, A.
Deposit date:2007-03-30
Release date:2007-05-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of Uridine-diphospho-N-acetylglucosamine Pyrophosphorylase from Candida albicans and Catalytic Reaction Mechanism
J.Biol.Chem., 282, 2007
2YQJ
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BU of 2yqj by Molmil
Crystal Structure of uridine-diphospho-N-acetylglucosamine pyrophosphorylase from Candida albicans, in the reaction-completed form
Descriptor: GLYCEROL, MAGNESIUM ION, SULFATE ION, ...
Authors:Miki, K, Maruyama, D, Nishitani, Y, Nonaka, T, Kita, A.
Deposit date:2007-03-30
Release date:2007-05-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Crystal Structure of Uridine-diphospho-N-acetylglucosamine Pyrophosphorylase from Candida albicans and Catalytic Reaction Mechanism
J.Biol.Chem., 282, 2007
7YV1
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BU of 7yv1 by Molmil
Human K-Ras G12D (GDP-bound) in complex with cyclic peptide inhibitor LUNA18 and KA30L Fab
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, KA30L Fab H-chain, ...
Authors:Irie, M, Fukami, T.A, Matsuo, A, Saka, K, Nishimura, M, Saito, H, Torizawa, T, Tanada, M, Ohta, A.
Deposit date:2022-08-18
Release date:2023-07-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.454 Å)
Cite:Validation of a New Methodology to Create Oral Drugs beyond the Rule of 5 for Intracellular Tough Targets.
J.Am.Chem.Soc., 145, 2023
7YUZ
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BU of 7yuz by Molmil
Human K-Ras G12D (GDP-bound) in complex with cyclic peptide inhibitor AP8784
Descriptor: AP8784, GUANOSINE-5'-DIPHOSPHATE, IODIDE ION, ...
Authors:Irie, M, Fukami, T.A, Tanada, M, Ohta, A, Torizawa, T.
Deposit date:2022-08-18
Release date:2023-07-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.878 Å)
Cite:Validation of a New Methodology to Create Oral Drugs beyond the Rule of 5 for Intracellular Tough Targets.
J.Am.Chem.Soc., 145, 2023
8W85
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BU of 8w85 by Molmil
HLA-DQ2.5-gamma2 gliadin peptide in complex with DQN0385AE01
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DQN0385AE01 Fab heavy chain, DQN0385AE01 Fab light chain, ...
Authors:Irie, M, Tsushima, T, Teranishi-Ikawa, Y, Takahashi, N, Ishii, S, Okura, Y, Fukami, T.A, Torizawa, T.
Deposit date:2023-08-31
Release date:2023-11-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.769 Å)
Cite:Characterizations of a neutralizing antibody broadly reactive to multiple gluten peptide:HLA-DQ2.5 complexes in the context of celiac disease
Nat Commun, 14, 2023
8W84
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BU of 8w84 by Molmil
HLA-DQ2.5-alpha2 gliadin peptide in complex with DQN0344AE02
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DQN0344AE02 Fab heavy chain, DQN0344AE02 Fab light chain, ...
Authors:Irie, M, Tsushima, T, Teranishi-Ikawa, Y, Takahashi, N, Ishii, S, Okura, Y, Fukami, T.A, Torizawa, T.
Deposit date:2023-08-31
Release date:2023-11-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.105 Å)
Cite:Characterizations of a neutralizing antibody broadly reactive to multiple gluten peptide:HLA-DQ2.5 complexes in the context of celiac disease
Nat Commun, 14, 2023
8W83
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BU of 8w83 by Molmil
HLA-DQ2.5-alpha1 gliadin peptide in complex with DQN0344AE02
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DQN0344AE02 Fab heavy chain, DQN0344AE02 Fab light chain, ...
Authors:Irie, M, Tsushima, T, Teranishi-Ikawa, Y, Takahashi, N, Ishii, S, Okura, Y, Fukami, T.A, Torizawa, T.
Deposit date:2023-08-31
Release date:2023-11-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.818 Å)
Cite:Characterizations of a neutralizing antibody broadly reactive to multiple gluten peptide:HLA-DQ2.5 complexes in the context of celiac disease
Nat Commun, 14, 2023
8W86
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BU of 8w86 by Molmil
HLA-DQ2.5-B/C hordein peptide in complex with DQN0385AE02
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DQN0385AE02 Fab heavy chain, DQN0385AE02 Fab light chain, ...
Authors:Irie, M, Tsushima, T, Teranishi-Ikawa, Y, Takahashi, N, Ishii, S, Okura, Y, Fukami, T.A, Torizawa, T.
Deposit date:2023-08-31
Release date:2023-11-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.236 Å)
Cite:Characterizations of a neutralizing antibody broadly reactive to multiple gluten peptide:HLA-DQ2.5 complexes in the context of celiac disease
Nat Commun, 14, 2023
7DC8
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BU of 7dc8 by Molmil
Crystal structure of Switch Ab Fab and hIL6R in complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Interleukin-6 receptor subunit alpha, SULFATE ION, ...
Authors:Kadono, S, Fukami, T.A, Kawauchi, H, Torizawa, T, Mimoto, F.
Deposit date:2020-10-23
Release date:2021-01-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.757 Å)
Cite:Exploitation of Elevated Extracellular ATP to Specifically Direct Antibody to Tumor Microenvironment.
Cell Rep, 33, 2020
7DC7
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BU of 7dc7 by Molmil
Crystal structure of D12 Fab-ATP complex
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, D12 Fab heavy chain, D12 Fab light chain
Authors:Kawauchi, H, Fukami, T.A, Tatsumi, K, Torizawa, T, Mimoto, F.
Deposit date:2020-10-23
Release date:2021-01-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Exploitation of Elevated Extracellular ATP to Specifically Direct Antibody to Tumor Microenvironment.
Cell Rep, 33, 2020
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
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
8GUZ
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BU of 8guz by Molmil
Crystal structure of anti-FIXa IgG fab with FAST-Ig mutations
Descriptor: 1,2-ETHANEDIOL, Anti-factor IXa IgG fab heavy chain, Anti-factor IXa IgG fab light chain
Authors:Koga, H, Yamano, T, Fukami, T.A, Sampei, Z, Shiraiwa, H, Torizawa, T.
Deposit date:2022-09-14
Release date:2023-06-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Efficient production of bispecific antibody by FAST-Ig TM and its application to NXT007 for the treatment of hemophilia A.
Mabs, 15, 2023
8GV1
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BU of 8gv1 by Molmil
Crystal structure of anti-FX IgG fab with FAST-Ig mutations
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Anti-factor X IgG fab heavy chain, ...
Authors:Koga, H, Yamano, T, Fukami, T.A, Sampei, Z, Shiraiwa, H, Torizawa, T.
Deposit date:2022-09-14
Release date:2023-06-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.186 Å)
Cite:Efficient production of bispecific antibody by FAST-Ig TM and its application to NXT007 for the treatment of hemophilia A.
Mabs, 15, 2023
8GV0
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BU of 8gv0 by Molmil
Crystal structure of anti-FIXa IgG fab without FAST-Ig mutations
Descriptor: Anti-factor IXa IgG fab heavy chain, Anti-factor IXa IgG fab light chain
Authors:Koga, H, Yamano, T, Fukami, T.A, Sampei, Z, Shiraiwa, H, Torizawa, T.
Deposit date:2022-09-14
Release date:2023-06-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.192 Å)
Cite:Efficient production of bispecific antibody by FAST-Ig TM and its application to NXT007 for the treatment of hemophilia A.
Mabs, 15, 2023
8GV2
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BU of 8gv2 by Molmil
Crystal structure of anti-FX IgG fab without FAST-Ig mutations
Descriptor: 1,2-ETHANEDIOL, Anti-factor X IgG fab heavy chain, Anti-factor X IgG fab light chain
Authors:Koga, H, Yamano, T, Fukami, T.A, Sampei, Z, Shiraiwa, H, Torizawa, T.
Deposit date:2022-09-14
Release date:2023-06-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.274 Å)
Cite:Efficient production of bispecific antibody by FAST-Ig TM and its application to NXT007 for the treatment of hemophilia A.
Mabs, 15, 2023
5GJD
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BU of 5gjd by Molmil
Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 2
Descriptor: 1-(4-((1H-pyrrolo[2,3-b]pyridin-4-yl)oxy)phenyl)-3-(5-(4-methylpiperazin-1-yl)naphthalen-2-yl)urea, TAK1 kinase - TAB1 chimera fusion protein
Authors:Irie, M, Nakamura, M, Fukami, T.A, Matsuura, T, Morishima, K.
Deposit date:2016-06-29
Release date:2016-11-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Development of a Method for Converting a TAK1 Type I Inhibitor into a Type II or c-Helix-Out Inhibitor by Structure-Based Drug Design (SBDD)
Chem.Pharm.Bull., 64, 2016
5GJF
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BU of 5gjf by Molmil
Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 3
Descriptor: N-(2-isopropoxy-4-(4-methylpiperazine-1-carbonyl)phenyl)-2-(3-(3-phenylureido)phenyl)thiazole-4-carboxamide, TAK1 kinase - TAB1 chimera fusion protein
Authors:Irie, M, Nakamura, M, Fukami, T.A, Matsuura, T, Morishima, K.
Deposit date:2016-06-29
Release date:2016-11-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Development of a Method for Converting a TAK1 Type I Inhibitor into a Type II or c-Helix-Out Inhibitor by Structure-Based Drug Design (SBDD)
Chem.Pharm.Bull., 64, 2016
5GJG
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BU of 5gjg by Molmil
Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 4
Descriptor: N-(2-isopropoxy-4-(4-methylpiperazine-1-carbonyl)phenyl)-2-(3-(phenylcarbamoyl)phenyl)thiazole-4-carboxamide, TAK1 kinase - TAB1 chimera fusion protein
Authors:Irie, M, Nakamura, M, Fukami, T.A, Matsuura, T, Morishima, K.
Deposit date:2016-06-29
Release date:2016-11-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Development of a Method for Converting a TAK1 Type I Inhibitor into a Type II or c-Helix-Out Inhibitor by Structure-Based Drug Design (SBDD)
Chem.Pharm.Bull., 64, 2016
5JGB
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BU of 5jgb by Molmil
Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 10
Descriptor: N-(2-methoxy-4-{[3-(4-methylpiperazin-1-yl)propyl]carbamoyl}phenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-7-carboxamide, TAK1 kinase - TAB1 chimera fusion protein
Authors:Irie, M, Nakamura, M, Fukami, T.A, Matsuura, T, Morishima, K.
Deposit date:2016-04-20
Release date:2016-07-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of a potent and highly selective transforming growth factor beta receptor-associated kinase 1 (TAK1) inhibitor by structure based drug design (SBDD)
Bioorg.Med.Chem., 24, 2016
5JGD
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BU of 5jgd by Molmil
Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 12
Descriptor: N-(2-isopropoxy-3-(4-methylpiperazine-1-carbonyl)phenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-7-carboxamide, TAK1 kinase - TAB1 chimera fusion protein
Authors:Irie, M, Nakamura, M, Fukami, T.A, Matsuura, T, Morishima, K.
Deposit date:2016-04-20
Release date:2016-07-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.101 Å)
Cite:Discovery of a potent and highly selective transforming growth factor beta receptor-associated kinase 1 (TAK1) inhibitor by structure based drug design (SBDD)
Bioorg.Med.Chem., 24, 2016
5JGA
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BU of 5jga by Molmil
Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 11c
Descriptor: N-[5-(4-methylpiperazine-1-carbonyl)[1,1'-biphenyl]-2-yl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-7-carboxamide, TAK1 kinase - TAB1 chimera fusion protein
Authors:Irie, M, Nakamura, M, Fukami, T.A, Matsuura, T, Morishima, K.
Deposit date:2016-04-19
Release date:2016-07-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of a potent and highly selective transforming growth factor beta receptor-associated kinase 1 (TAK1) inhibitor by structure based drug design (SBDD)
Bioorg.Med.Chem., 24, 2016
3APD
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BU of 3apd by Molmil
Crystal structure of human PI3K-gamma in complex with CH5108134
Descriptor: 5-(2-Morpholin-4-yl-7-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-pyrimidin-2-ylamine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
Authors:Nakamura, M, Fukami, T.A, Miyazaki, T, Yoshida, M.
Deposit date:2010-10-14
Release date:2011-04-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Discovery and biological activity of a novel class I PI3K inhibitor, CH5132799
Bioorg.Med.Chem.Lett., 21, 2011

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