3WD0
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![BU of 3wd0 by Molmil](/molmil-images/mine/3wd0) | Serratia marcescens Chitinase B, tetragonal form | Descriptor: | Chitinase B, DITHIANE DIOL, GLYCEROL, ... | Authors: | 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. | Deposit date: | 2013-06-06 | Release date: | 2013-09-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 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
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5ZZ4
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![BU of 5zz4 by Molmil](/molmil-images/mine/5zz4) | Crystal structure of bruton's tyrosine kinase in complex with inhibitor 2e | Descriptor: | 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 | Authors: | Kawahata, W, Asami, T, Irie, T, Kiyoi, T, Taniguchi, H, Asamitsu, Y, Inoue, T, Miyake, T, Sawa, M. | Deposit date: | 2018-05-30 | Release date: | 2018-09-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | 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
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1X2G
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![BU of 1x2g by Molmil](/molmil-images/mine/1x2g) | Crystal Structure of Lipate-Protein Ligase A from Escherichia coli | Descriptor: | Lipoate-protein ligase A | Authors: | Fujiwara, K, Toma, S, Okamura-Ikeda, K, Motokawa, Y, Nakagawa, A, Taniguchi, H. | Deposit date: | 2005-04-23 | Release date: | 2005-08-02 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of lipoate-protein ligase A from Escherichia coli: Determination of the lipoic acid-binding site J.Biol.Chem., 280, 2005
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1X2H
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![BU of 1x2h by Molmil](/molmil-images/mine/1x2h) | Crystal Structure of Lipate-Protein Ligase A from Escherichia coli complexed with lipoic acid | Descriptor: | LIPOIC ACID, Lipoate-protein ligase A | Authors: | Fujiwara, K, Toma, S, Okamura-Ikeda, K, Motokawa, Y, Nakagawa, A, Taniguchi, H. | Deposit date: | 2005-04-23 | Release date: | 2005-08-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | Crystal structure of lipoate-protein ligase A from Escherichia coli: Determination of the lipoic acid-binding site J.Biol.Chem., 280, 2005
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3VIS
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![BU of 3vis by Molmil](/molmil-images/mine/3vis) | Crystal structure of cutinase Est119 from Thermobifida alba AHK119 | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Esterase | Authors: | Kitadokoro, K, Thumarat, U, Nakamura, R, Nishimura, K, Karatani, H, Suzuki, H, Kawai, F. | Deposit date: | 2011-10-11 | Release date: | 2012-04-11 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Crystal structure of cutinase Est119 from Thermobida alba AHK119 that can degrade modpolyethylene terephthalate at 1.76 A resolution. POLYM.DEGRAD.STAB., 97, 2012
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3WII
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![BU of 3wii by Molmil](/molmil-images/mine/3wii) | Crystal structure of the Fab fragment of B2212A, a murine monoclonal antibody specific for the third fibronectin domain (Fn3) of human ROBO1. | Descriptor: | anti-human ROBO1 antibody B2212A Fab heavy chain, anti-human ROBO1 antibody B2212A Fab light chain | Authors: | 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. | Deposit date: | 2013-09-12 | Release date: | 2015-01-21 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural features of interfacial tyrosine residue in ROBO1 fibronectin domain-antibody complex: Crystallographic, thermodynamic, and molecular dynamic analyses Protein Sci., 24, 2015
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3WIH
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![BU of 3wih by Molmil](/molmil-images/mine/3wih) | Crystal structure of the third fibronectin domain (Fn3) of human ROBO1 in complex with the Fab fragment of murine monoclonal antibody B2212A. | Descriptor: | GLYCEROL, Roundabout homolog 1, anti-human ROBO1 antibody B2212A Fab heavy chain, ... | Authors: | 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. | Deposit date: | 2013-09-12 | Release date: | 2015-01-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.701 Å) | Cite: | Structural features of interfacial tyrosine residue in ROBO1 fibronectin domain-antibody complex: Crystallographic, thermodynamic, and molecular dynamic analyses Protein Sci., 24, 2015
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1ET0
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![BU of 1et0 by Molmil](/molmil-images/mine/1et0) | CRYSTAL STRUCTURE OF AMINODEOXYCHORISMATE LYASE FROM ESCHERICHIA COLI | Descriptor: | 4-AMINO-4-DEOXYCHORISMATE LYASE, PYRIDOXAL-5'-PHOSPHATE | Authors: | Nakai, T, Mizutani, H, Miyahara, I, Hirotsu, K, Takeda, S, Jhee, K.H, Yoshimura, T, Esaki, N. | Deposit date: | 2000-04-12 | Release date: | 2000-07-19 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Three-dimensional structure of 4-amino-4-deoxychorismate lyase from Escherichia coli. J.Biochem.(Tokyo), 128, 2000
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2DVM
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![BU of 2dvm by Molmil](/molmil-images/mine/2dvm) | |
7DPJ
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![BU of 7dpj by Molmil](/molmil-images/mine/7dpj) | H-Ras Q61L in complex with GppNHp (state 1) after structural transition by humidity control | Descriptor: | CALCIUM ION, GTPase HRas, MAGNESIUM ION, ... | Authors: | Taniguchi, H, Matsumoto, S, Miyamoto, R, Kawamura, T, Kumasaka, T, Kataoka, T. | Deposit date: | 2020-12-19 | Release date: | 2021-07-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.976 Å) | Cite: | 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
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7DPH
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![BU of 7dph by Molmil](/molmil-images/mine/7dph) | H-Ras Q61H in complex with GppNHp (state 1) after structural transition by humidity control | Descriptor: | GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Taniguchi, H, Matsumoto, S, Kawamura, T, Kumasaka, T, Kataoka, T. | Deposit date: | 2020-12-19 | Release date: | 2021-07-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | 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
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5EW8
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![BU of 5ew8 by Molmil](/molmil-images/mine/5ew8) | FIBROBLAST GROWTH FACTOR RECEPTOR 1 IN COMPLEX WITH JNJ-4275693 | Descriptor: | 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 | Authors: | Ogg, D, Breed, J. | Deposit date: | 2015-11-20 | Release date: | 2016-03-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Landscape of activating cancer mutations in FGFR kinases and their differential responses to inhibitors in clinical use. Oncotarget, 7, 2016
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5FLF
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![BU of 5flf by Molmil](/molmil-images/mine/5flf) | DISEASE LINKED MUTATION IN FGFR | Descriptor: | ACETATE ION, CHLORIDE ION, FIBROBLAST GROWTH FACTOR RECEPTOR 1, ... | Authors: | Thiyagarajan, N, Bunney, T.D, Katan, M. | Deposit date: | 2015-10-26 | Release date: | 2016-03-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Landscape of Activating Cancer Mutations in Fgfr Kinases and Their Differential Responses to Inhibitors in Clinical Use. Oncotarget, 7, 2016
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5CYV
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![BU of 5cyv by Molmil](/molmil-images/mine/5cyv) | Crystal structure of CouR from Rhodococcus jostii RHA1 bound to p-coumaroyl-CoA | Descriptor: | ACETATE ION, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Stogios, P.J, Xu, X, Dong, A, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2015-07-30 | Release date: | 2015-08-12 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | The activity of CouR, a MarR family transcriptional regulator, is modulated through a novel molecular mechanism. Nucleic Acids Res., 44, 2016
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8K5H
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![BU of 8k5h by Molmil](/molmil-images/mine/8k5h) | Structure of the SARS-CoV-2 BA.1 spike with UT28-RD | Descriptor: | 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, ... | Authors: | Chen, L, Kita, S, Anraku, Y, Maenaka, K. | Deposit date: | 2023-07-21 | Release date: | 2023-12-27 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.22 Å) | Cite: | Rational in silico design identifies two mutations that restore UT28K SARS-CoV-2 monoclonal antibody activity against Omicron BA.1. Structure, 32, 2024
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8K5G
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![BU of 8k5g by Molmil](/molmil-images/mine/8k5g) | Structure of the SARS-CoV-2 BA.1 RBD with UT28-RD | Descriptor: | Spike protein S1, UT28K-RD Fab Heavy chain, UT28K-RD Fab Light chain | Authors: | Chen, L, Kita, S, Anraku, Y, Maenaka, K. | Deposit date: | 2023-07-21 | Release date: | 2023-12-27 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.41 Å) | Cite: | Rational in silico design identifies two mutations that restore UT28K SARS-CoV-2 monoclonal antibody activity against Omicron BA.1. Structure, 32, 2024
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2Z83
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![BU of 2z83 by Molmil](/molmil-images/mine/2z83) | |
7LXT
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![BU of 7lxt by Molmil](/molmil-images/mine/7lxt) | Structure of Plasmodium falciparum 20S proteasome with bound bortezomib | Descriptor: | 20S proteasome alpha-1 subunit, 20S proteasome alpha-2 subunit, 20S proteasome alpha-3 subunit, ... | Authors: | Morton, C.J, Metcalfe, R.D, Liu, B, Xie, S.C, Hanssen, E, Leis, A.P, Tilley, L, Griffin, M.D.W. | Deposit date: | 2021-03-05 | Release date: | 2021-09-22 | Last modified: | 2022-04-13 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | 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
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7LXU
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![BU of 7lxu by Molmil](/molmil-images/mine/7lxu) | Structure of Plasmodium falciparum 20S proteasome with bound MPI-5 | Descriptor: | 20S proteasome alpha-1 subunit, 20S proteasome alpha-2 subunit, 20S proteasome alpha-3 subunit, ... | Authors: | Metcalfe, R.D, Morton, C.J, Xie, S.C, Liu, B, Hanssen, E, Leis, A.P, Tilley, L, Griffin, M.D.W. | Deposit date: | 2021-03-05 | Release date: | 2021-09-22 | Last modified: | 2022-04-13 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | 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
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7LXV
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![BU of 7lxv by Molmil](/molmil-images/mine/7lxv) | Structure of human 20S proteasome with bound MPI-5 | Descriptor: | N-[(1R)-2-([1,1'-biphenyl]-4-yl)-1-boronoethyl]-1-methyl-L-prolinamide, Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, ... | Authors: | Metcalfe, R.D, Morton, C.J, Liu, B, Xie, S.C, Hanssen, E, Leis, A.P, Tilley, L, Griffin, M.D.W. | Deposit date: | 2021-03-05 | Release date: | 2021-09-22 | Last modified: | 2022-04-13 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | 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
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6XOG
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![BU of 6xog by Molmil](/molmil-images/mine/6xog) | Structure of SUMO1-ML786519 adduct bound to SAE | Descriptor: | SULFATE ION, SUMO-activating enzyme subunit 1, SUMO-activating enzyme subunit 2, ... | Authors: | Sintchak, M, Lane, W, Bump, N. | Deposit date: | 2020-07-07 | Release date: | 2021-03-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Discovery of TAK-981, a First-in-Class Inhibitor of SUMO-Activating Enzyme for the Treatment of Cancer. J.Med.Chem., 64, 2021
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6XOH
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![BU of 6xoh by Molmil](/molmil-images/mine/6xoh) | Structure of SUMO1-ML00789344 adduct bound to SAE | Descriptor: | SULFATE ION, SUMO-activating enzyme subunit 1, SUMO-activating enzyme subunit 2, ... | Authors: | Sintchak, M, Lane, W, Bump, N. | Deposit date: | 2020-07-07 | Release date: | 2021-03-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.226 Å) | Cite: | Discovery of TAK-981, a First-in-Class Inhibitor of SUMO-Activating Enzyme for the Treatment of Cancer. J.Med.Chem., 64, 2021
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6XOI
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![BU of 6xoi by Molmil](/molmil-images/mine/6xoi) | Structure of SUMO1-ML00752641 adduct bound to SAE | Descriptor: | SULFATE ION, SUMO-activating enzyme subunit 1, SUMO-activating enzyme subunit 2, ... | Authors: | Sintchak, M, Lane, W, Bump, N. | Deposit date: | 2020-07-07 | Release date: | 2021-03-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of TAK-981, a First-in-Class Inhibitor of SUMO-Activating Enzyme for the Treatment of Cancer. J.Med.Chem., 64, 2021
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6AI6
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![BU of 6ai6 by Molmil](/molmil-images/mine/6ai6) | Crystal structure of SpCas9-NG | Descriptor: | 1,2-ETHANEDIOL, CRISPR-associated endonuclease Cas9/Csn1, DNA (28-MER), ... | Authors: | Nishimasu, H, Hirano, S, Ishitani, R, Nureki, O. | Deposit date: | 2018-08-21 | Release date: | 2018-10-31 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Engineered CRISPR-Cas9 nuclease with expanded targeting space Science, 361, 2018
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6QC0
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![BU of 6qc0 by Molmil](/molmil-images/mine/6qc0) | PCNA complex with Cdt2 C-terminal PIP-box peptide | Descriptor: | Denticleless protein homolog, Proliferating cell nuclear antigen | Authors: | Perrakis, A.P, von Castelmur, E. | Deposit date: | 2018-12-25 | Release date: | 2019-01-23 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | 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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