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3WD0
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BU of 3wd0 by Molmil
Serratia marcescens Chitinase B, tetragonal form
分子名称: Chitinase B, DITHIANE DIOL, GLYCEROL, ...
著者Hirose, T, Maita, N, Gouda, H, Koseki, J, Yamamoto, T, Sugawara, A, Nakano, H, Hirono, S, Shiomi, K, Watanabe, T, Taniguchi, H, Sharpless, K.B, Omura, S, Sunazuka, T.
登録日2013-06-06
公開日2013-09-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Observation of the controlled assembly of preclick components in the in situ click chemistry generation of a chitinase inhibitor
Proc.Natl.Acad.Sci.USA, 110, 2013
5ZZ4
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BU of 5zz4 by Molmil
Crystal structure of bruton's tyrosine kinase in complex with inhibitor 2e
分子名称: N-[3-(4-amino-6-{[4-(morpholine-4-carbonyl)phenyl]amino}-1,3,5-triazin-2-yl)-2-methylphenyl]-4-tert-butylbenzamide, Tyrosine-protein kinase BTK
著者Kawahata, W, Asami, T, Irie, T, Kiyoi, T, Taniguchi, H, Asamitsu, Y, Inoue, T, Miyake, T, Sawa, M.
登録日2018-05-30
公開日2018-09-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Design and Synthesis of Novel Amino-triazine Analogues as Selective Bruton's Tyrosine Kinase Inhibitors for Treatment of Rheumatoid Arthritis.
J. Med. Chem., 61, 2018
1X2G
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BU of 1x2g by Molmil
Crystal Structure of Lipate-Protein Ligase A from Escherichia coli
分子名称: Lipoate-protein ligase A
著者Fujiwara, K, Toma, S, Okamura-Ikeda, K, Motokawa, Y, Nakagawa, A, Taniguchi, H.
登録日2005-04-23
公開日2005-08-02
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of lipoate-protein ligase A from Escherichia coli: Determination of the lipoic acid-binding site
J.Biol.Chem., 280, 2005
1X2H
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BU of 1x2h by Molmil
Crystal Structure of Lipate-Protein Ligase A from Escherichia coli complexed with lipoic acid
分子名称: LIPOIC ACID, Lipoate-protein ligase A
著者Fujiwara, K, Toma, S, Okamura-Ikeda, K, Motokawa, Y, Nakagawa, A, Taniguchi, H.
登録日2005-04-23
公開日2005-08-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Crystal structure of lipoate-protein ligase A from Escherichia coli: Determination of the lipoic acid-binding site
J.Biol.Chem., 280, 2005
3VIS
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BU of 3vis by Molmil
Crystal structure of cutinase Est119 from Thermobifida alba AHK119
分子名称: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Esterase
著者Kitadokoro, K, Thumarat, U, Nakamura, R, Nishimura, K, Karatani, H, Suzuki, H, Kawai, F.
登録日2011-10-11
公開日2012-04-11
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Crystal structure of cutinase Est119 from Thermobida alba AHK119 that can degrade modpolyethylene terephthalate at 1.76 A resolution.
POLYM.DEGRAD.STAB., 97, 2012
3WII
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BU of 3wii by Molmil
Crystal structure of the Fab fragment of B2212A, a murine monoclonal antibody specific for the third fibronectin domain (Fn3) of human ROBO1.
分子名称: anti-human ROBO1 antibody B2212A Fab heavy chain, anti-human ROBO1 antibody B2212A Fab light chain
著者Nakayama, T, Mizohata, E, Yamashita, T, Nagatoishi, S, Nakakido, M, Iwanari, H, Mochizuki, Y, Kado, Y, Yokota, Y, Sato, R, Tsumoto, K, Fujitani, H, Kodama, T, Hamakubo, T, Inoue, T.
登録日2013-09-12
公開日2015-01-21
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural features of interfacial tyrosine residue in ROBO1 fibronectin domain-antibody complex: Crystallographic, thermodynamic, and molecular dynamic analyses
Protein Sci., 24, 2015
3WIH
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BU of 3wih by Molmil
Crystal structure of the third fibronectin domain (Fn3) of human ROBO1 in complex with the Fab fragment of murine monoclonal antibody B2212A.
分子名称: GLYCEROL, Roundabout homolog 1, anti-human ROBO1 antibody B2212A Fab heavy chain, ...
著者Nakayama, T, Mizohata, E, Yamashita, T, Nagatoishi, M, Iwanari, H, Mochizuki, Y, Kado, Y, Yokota, Y, Sato, R, Tsumoto, K, Fujitani, H, Kodama, T, Hamakubo, T, Inoue, T.
登録日2013-09-12
公開日2015-01-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.701 Å)
主引用文献Structural features of interfacial tyrosine residue in ROBO1 fibronectin domain-antibody complex: Crystallographic, thermodynamic, and molecular dynamic analyses
Protein Sci., 24, 2015
1ET0
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BU of 1et0 by Molmil
CRYSTAL STRUCTURE OF AMINODEOXYCHORISMATE LYASE FROM ESCHERICHIA COLI
分子名称: 4-AMINO-4-DEOXYCHORISMATE LYASE, PYRIDOXAL-5'-PHOSPHATE
著者Nakai, T, Mizutani, H, Miyahara, I, Hirotsu, K, Takeda, S, Jhee, K.H, Yoshimura, T, Esaki, N.
登録日2000-04-12
公開日2000-07-19
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Three-dimensional structure of 4-amino-4-deoxychorismate lyase from Escherichia coli.
J.Biochem.(Tokyo), 128, 2000
2DVM
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BU of 2dvm by Molmil
NAD complex structure of PH1275 protein from Pyrococcus horikoshii
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 439aa long hypothetical malate oxidoreductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Lokanath, N.K, Mizutani, H, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2006-07-31
公開日2007-10-02
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献NAD complex structure of PH1275 protein from Pyrococcus horikoshii
To be Published
7DPJ
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BU of 7dpj by Molmil
H-Ras Q61L in complex with GppNHp (state 1) after structural transition by humidity control
分子名称: CALCIUM ION, GTPase HRas, MAGNESIUM ION, ...
著者Taniguchi, H, Matsumoto, S, Miyamoto, R, Kawamura, T, Kumasaka, T, Kataoka, T.
登録日2020-12-19
公開日2021-07-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.976 Å)
主引用文献Oncogenic mutations Q61L and Q61H confer active form-like structural features to the inactive state (state 1) conformation of H-Ras protein.
Biochem.Biophys.Res.Commun., 565, 2021
7DPH
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BU of 7dph by Molmil
H-Ras Q61H in complex with GppNHp (state 1) after structural transition by humidity control
分子名称: GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Taniguchi, H, Matsumoto, S, Kawamura, T, Kumasaka, T, Kataoka, T.
登録日2020-12-19
公開日2021-07-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Oncogenic mutations Q61L and Q61H confer active form-like structural features to the inactive state (state 1) conformation of H-Ras protein.
Biochem.Biophys.Res.Commun., 565, 2021
5EW8
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BU of 5ew8 by Molmil
FIBROBLAST GROWTH FACTOR RECEPTOR 1 IN COMPLEX WITH JNJ-4275693
分子名称: Fibroblast growth factor receptor 1, SULFATE ION, ~{N}'-(3,5-dimethoxyphenyl)-~{N}'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-~{N}-propan-2-yl-ethane-1,2-diamine
著者Ogg, D, Breed, J.
登録日2015-11-20
公開日2016-03-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Landscape of activating cancer mutations in FGFR kinases and their differential responses to inhibitors in clinical use.
Oncotarget, 7, 2016
5FLF
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BU of 5flf by Molmil
DISEASE LINKED MUTATION IN FGFR
分子名称: ACETATE ION, CHLORIDE ION, FIBROBLAST GROWTH FACTOR RECEPTOR 1, ...
著者Thiyagarajan, N, Bunney, T.D, Katan, M.
登録日2015-10-26
公開日2016-03-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Landscape of Activating Cancer Mutations in Fgfr Kinases and Their Differential Responses to Inhibitors in Clinical Use.
Oncotarget, 7, 2016
5CYV
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BU of 5cyv by Molmil
Crystal structure of CouR from Rhodococcus jostii RHA1 bound to p-coumaroyl-CoA
分子名称: ACETATE ION, CHLORIDE ION, MAGNESIUM ION, ...
著者Stogios, P.J, Xu, X, Dong, A, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2015-07-30
公開日2015-08-12
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献The activity of CouR, a MarR family transcriptional regulator, is modulated through a novel molecular mechanism.
Nucleic Acids Res., 44, 2016
8K5H
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BU of 8k5h by Molmil
Structure of the SARS-CoV-2 BA.1 spike with UT28-RD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
著者Chen, L, Kita, S, Anraku, Y, Maenaka, K.
登録日2023-07-21
公開日2023-12-27
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.22 Å)
主引用文献Rational in silico design identifies two mutations that restore UT28K SARS-CoV-2 monoclonal antibody activity against Omicron BA.1.
Structure, 32, 2024
8K5G
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BU of 8k5g by Molmil
Structure of the SARS-CoV-2 BA.1 RBD with UT28-RD
分子名称: Spike protein S1, UT28K-RD Fab Heavy chain, UT28K-RD Fab Light chain
著者Chen, L, Kita, S, Anraku, Y, Maenaka, K.
登録日2023-07-21
公開日2023-12-27
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.41 Å)
主引用文献Rational in silico design identifies two mutations that restore UT28K SARS-CoV-2 monoclonal antibody activity against Omicron BA.1.
Structure, 32, 2024
2Z83
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BU of 2z83 by Molmil
Crystal Structure of Catalytic Domain of Japanese Encephalitis Virus NS3 Helicase/Nucleoside Triphosphatase at a Resolution 1.8
分子名称: Helicase/Nucleoside Triphosphatase
著者Yamashita, T.
登録日2007-08-30
公開日2008-03-04
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of Catalytic Domain of Japanese Encephalitis Virus NS3 Helicase/Nucleoside Triphosphatase at a Resolution 1.8
To be Published
7LXT
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BU of 7lxt by Molmil
Structure of Plasmodium falciparum 20S proteasome with bound bortezomib
分子名称: 20S proteasome alpha-1 subunit, 20S proteasome alpha-2 subunit, 20S proteasome alpha-3 subunit, ...
著者Morton, C.J, Metcalfe, R.D, Liu, B, Xie, S.C, Hanssen, E, Leis, A.P, Tilley, L, Griffin, M.D.W.
登録日2021-03-05
公開日2021-09-22
最終更新日2022-04-13
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Design of proteasome inhibitors with oral efficacy in vivo against Plasmodium falciparum and selectivity over the human proteasome.
Proc.Natl.Acad.Sci.USA, 118, 2021
7LXU
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BU of 7lxu by Molmil
Structure of Plasmodium falciparum 20S proteasome with bound MPI-5
分子名称: 20S proteasome alpha-1 subunit, 20S proteasome alpha-2 subunit, 20S proteasome alpha-3 subunit, ...
著者Metcalfe, R.D, Morton, C.J, Xie, S.C, Liu, B, Hanssen, E, Leis, A.P, Tilley, L, Griffin, M.D.W.
登録日2021-03-05
公開日2021-09-22
最終更新日2022-04-13
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Design of proteasome inhibitors with oral efficacy in vivo against Plasmodium falciparum and selectivity over the human proteasome.
Proc.Natl.Acad.Sci.USA, 118, 2021
7LXV
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BU of 7lxv by Molmil
Structure of human 20S proteasome with bound MPI-5
分子名称: N-[(1R)-2-([1,1'-biphenyl]-4-yl)-1-boronoethyl]-1-methyl-L-prolinamide, Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, ...
著者Metcalfe, R.D, Morton, C.J, Liu, B, Xie, S.C, Hanssen, E, Leis, A.P, Tilley, L, Griffin, M.D.W.
登録日2021-03-05
公開日2021-09-22
最終更新日2022-04-13
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Design of proteasome inhibitors with oral efficacy in vivo against Plasmodium falciparum and selectivity over the human proteasome.
Proc.Natl.Acad.Sci.USA, 118, 2021
6XOG
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BU of 6xog by Molmil
Structure of SUMO1-ML786519 adduct bound to SAE
分子名称: SULFATE ION, SUMO-activating enzyme subunit 1, SUMO-activating enzyme subunit 2, ...
著者Sintchak, M, Lane, W, Bump, N.
登録日2020-07-07
公開日2021-03-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Discovery of TAK-981, a First-in-Class Inhibitor of SUMO-Activating Enzyme for the Treatment of Cancer.
J.Med.Chem., 64, 2021
6XOH
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BU of 6xoh by Molmil
Structure of SUMO1-ML00789344 adduct bound to SAE
分子名称: SULFATE ION, SUMO-activating enzyme subunit 1, SUMO-activating enzyme subunit 2, ...
著者Sintchak, M, Lane, W, Bump, N.
登録日2020-07-07
公開日2021-03-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.226 Å)
主引用文献Discovery of TAK-981, a First-in-Class Inhibitor of SUMO-Activating Enzyme for the Treatment of Cancer.
J.Med.Chem., 64, 2021
6XOI
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Structure of SUMO1-ML00752641 adduct bound to SAE
分子名称: SULFATE ION, SUMO-activating enzyme subunit 1, SUMO-activating enzyme subunit 2, ...
著者Sintchak, M, Lane, W, Bump, N.
登録日2020-07-07
公開日2021-03-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of TAK-981, a First-in-Class Inhibitor of SUMO-Activating Enzyme for the Treatment of Cancer.
J.Med.Chem., 64, 2021
6AI6
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BU of 6ai6 by Molmil
Crystal structure of SpCas9-NG
分子名称: 1,2-ETHANEDIOL, CRISPR-associated endonuclease Cas9/Csn1, DNA (28-MER), ...
著者Nishimasu, H, Hirano, S, Ishitani, R, Nureki, O.
登録日2018-08-21
公開日2018-10-31
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Engineered CRISPR-Cas9 nuclease with expanded targeting space
Science, 361, 2018
6QC0
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PCNA complex with Cdt2 C-terminal PIP-box peptide
分子名称: Denticleless protein homolog, Proliferating cell nuclear antigen
著者Perrakis, A.P, von Castelmur, E.
登録日2018-12-25
公開日2019-01-23
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Direct binding of Cdt2 to PCNA is important for targeting the CRL4Cdt2E3 ligase activity to Cdt1.
Life Sci Alliance, 1, 2018

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