4XD7
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![BU of 4xd7 by Molmil](/molmil-images/mine/4xd7) | Structure of thermophilic F1-ATPase inhibited by epsilon subunit | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP synthase epsilon chain, ATP synthase gamma chain, ... | Authors: | SHIRAKIHARA, Y, SHIRATORI, A, TANIKAWA, H, NAKASAKO, M, YOSHIDA, M, SUZUKI, T. | Deposit date: | 2014-12-19 | Release date: | 2015-08-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.9 Å) | Cite: | Structure of a thermophilic F1 -ATPase inhibited by an epsilon-subunit: deeper insight into the epsilon-inhibition mechanism. Febs J., 282, 2015
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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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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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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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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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2DVM
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![BU of 2dvm by Molmil](/molmil-images/mine/2dvm) | |
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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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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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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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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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) | |
5XT2
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![BU of 5xt2 by Molmil](/molmil-images/mine/5xt2) | Crystal structures of full-length FixJ from B. japonicum crystallized in space group P212121 | Descriptor: | FORMIC ACID, GLYCEROL, MAGNESIUM ION, ... | Authors: | Nishizono, Y, Hisano, T, Shiro, Y, Sawai, H, Wright, G.S.A, Saeki, A, Hikima, T, Nakamura, H, Yamamoto, M, Antonyuk, S.V, Hasnain, S.S. | Deposit date: | 2017-06-16 | Release date: | 2018-05-23 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.652 Å) | Cite: | Architecture of the complete oxygen-sensing FixL-FixJ two-component signal transduction system. Sci Signal, 11, 2018
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5B5O
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![BU of 5b5o by Molmil](/molmil-images/mine/5b5o) | Crystal structure of the catalytic domain of MMP-13 complexed with N-phenyl-4-((4H-1,2,4-triazol-3-ylsulfanyl)methyl)-1,3-thiazol-2-amine | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Collagenase 3, ... | Authors: | Oki, H, Tanaka, Y. | Deposit date: | 2016-05-13 | Release date: | 2017-01-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Discovery of Novel, Highly Potent, and Selective Matrix Metalloproteinase (MMP)-13 Inhibitors with a 1,2,4-Triazol-3-yl Moiety as a Zinc Binding Group Using a Structure-Based Design Approach J. Med. Chem., 60, 2017
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5B5P
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![BU of 5b5p by Molmil](/molmil-images/mine/5b5p) | Crystal structure of the catalytic domain of MMP-13 complexed with 4-oxo-N-(3-(2-(1H-1,2,4-triazol-3-ylsulfanyl)ethoxy)benzyl)-3,4-dihydroquinazoline-2-carboxamide | Descriptor: | 4-oxo-N-{3-[2-(1H-1,2,4-triazol-3-ylsulfanyl)ethoxy]benzyl}-3,4-dihydroquinazoline-2-carboxamide, CALCIUM ION, Collagenase 3, ... | Authors: | Oki, H, Tanaka, Y. | Deposit date: | 2016-05-13 | Release date: | 2017-01-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery of Novel, Highly Potent, and Selective Matrix Metalloproteinase (MMP)-13 Inhibitors with a 1,2,4-Triazol-3-yl Moiety as a Zinc Binding Group Using a Structure-Based Design Approach J. Med. Chem., 60, 2017
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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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7KVX
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![BU of 7kvx by Molmil](/molmil-images/mine/7kvx) | Structure of hSTING in complex with novel carbocyclic pyrimidine CDN 1 | Descriptor: | (2R,5R,7R,8R,10R,12aR,14R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-16-hydroxy-14-[(pyrimidin-4-yl)amino]-2,10-disulfanyldecahydro-2H,10H-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione, Stimulator of interferon genes protein | Authors: | Skene, R. | Deposit date: | 2020-11-29 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Identification of Novel Carbocyclic Pyrimidine Cyclic Dinucleotide STING Agonists for Antitumor Immunotherapy Using Systemic Intravenous Route. J.Med.Chem., 64, 2021
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7KVZ
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![BU of 7kvz by Molmil](/molmil-images/mine/7kvz) | Structure of hSTING in complex with novel carbocyclic pyrimidine CDN-2 | Descriptor: | (2R,5R,7R,8R,10S,12aR,14R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2,10,16-trihydroxy-14-[(pyrimidin-4-yl)oxy]decahydro-2H,10H-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione, Stimulator of interferon genes protein | Authors: | Skene, R.J. | Deposit date: | 2020-11-29 | Release date: | 2022-02-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Identification of Novel Carbocyclic Pyrimidine Cyclic Dinucleotide STING Agonists for Antitumor Immunotherapy Using Systemic Intravenous Route. J.Med.Chem., 64, 2021
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