4DT0
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5ZR3
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![BU of 5zr3 by Molmil](/molmil-images/mine/5zr3) | Crystal structure of Hsp90-alpha N-terminal domain in complex with 4-(3-isopropyl-4-(4-(1-methyl-1H-pyrazol-4-yl)-1H-imidazol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl)-3-methylbenzamide | Descriptor: | 3-methyl-4-{4-[4-(1-methyl-1H-pyrazol-4-yl)-1H-imidazol-1-yl]-3-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl}benzamide, Heat shock protein HSP 90-alpha | Authors: | Uno, T, Chong, K.T, Suzuki, T. | Deposit date: | 2018-04-23 | Release date: | 2019-01-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of 3-Ethyl-4-(3-isopropyl-4-(4-(1-methyl-1 H-pyrazol-4-yl)-1 H-imidazol-1-yl)-1 H-pyrazolo[3,4- b]pyridin-1-yl)benzamide (TAS-116) as a Potent, Selective, and Orally Available HSP90 Inhibitor. J. Med. Chem., 62, 2019
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3WRY
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![BU of 3wry by Molmil](/molmil-images/mine/3wry) | Crystal structure of helicase complex 2 | Descriptor: | CHLORIDE ION, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | Authors: | Matsumura, H, Katoh, E. | Deposit date: | 2014-02-27 | Release date: | 2014-08-13 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for the recognition-evasion arms race between Tomato mosaic virus and the resistance gene Tm-1 Proc.Natl.Acad.Sci.USA, 111, 2014
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3WRX
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![BU of 3wrx by Molmil](/molmil-images/mine/3wrx) | Crystal structure of helicase complex 1 | Descriptor: | CESIUM ION, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | Authors: | Matsumura, H, Katoh, E. | Deposit date: | 2014-02-27 | Release date: | 2014-08-13 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for the recognition-evasion arms race between Tomato mosaic virus and the resistance gene Tm-1 Proc.Natl.Acad.Sci.USA, 111, 2014
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6U9V
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6U9W
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5IUG
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![BU of 5iug by Molmil](/molmil-images/mine/5iug) | Crystal Structure of Anaplastic Lymphoma Kinase (ALK) in complex with 5a | Descriptor: | ALK tyrosine kinase receptor, N-[3-(4-{[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]amino}-3-methylphenyl)-1H-pyrazol-5-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide | Authors: | Tu, C.H, Wu, S.Y. | Deposit date: | 2016-03-18 | Release date: | 2016-05-18 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Pyrazolylamine Derivatives Reveal the Conformational Switching between Type I and Type II Binding Modes of Anaplastic Lymphoma Kinase (ALK). J.Med.Chem., 59, 2016
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5IUH
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![BU of 5iuh by Molmil](/molmil-images/mine/5iuh) | Crystal Structure of the Anaplastic Lymphoma Kinase (ALK) in complex with 5d | Descriptor: | 4-[(4-methylpiperazin-1-yl)methyl]-N-{3-[3-methyl-4-({[5-(propan-2-yl)-1,2-oxazol-3-yl]carbamoyl}amino)phenyl]-1H-pyrazol-5-yl}benzamide, ALK tyrosine kinase receptor | Authors: | Tu, C.H, Wu, S.Y. | Deposit date: | 2016-03-18 | Release date: | 2016-05-18 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Pyrazolylamine Derivatives Reveal the Conformational Switching between Type I and Type II Binding Modes of Anaplastic Lymphoma Kinase (ALK). J.Med.Chem., 59, 2016
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5IUI
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![BU of 5iui by Molmil](/molmil-images/mine/5iui) | Crystal Structure of Anaplastic Lyphoma Kinase (ALK) in complex with 4 | Descriptor: | ALK tyrosine kinase receptor, N-[3-(4-amino-3-methylphenyl)-1H-pyrazol-5-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide | Authors: | Tu, C.H, Wu, S.Y. | Deposit date: | 2016-03-18 | Release date: | 2016-05-18 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Pyrazolylamine Derivatives Reveal the Conformational Switching between Type I and Type II Binding Modes of Anaplastic Lymphoma Kinase (ALK). J.Med.Chem., 59, 2016
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6ILI
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![BU of 6ili by Molmil](/molmil-images/mine/6ili) | Crystal structure of human MTH1(G2K/D120N mutant) in complex with 8-oxo-dGTP at pH 6.5 | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE | Authors: | Nakamura, T, Waz, S, Hirata, K, Nakabeppu, Y, Yamagata, Y. | Deposit date: | 2018-10-18 | Release date: | 2018-11-07 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural and Kinetic Studies of the Human Nudix Hydrolase MTH1 Reveal the Mechanism for Its Broad Substrate Specificity J. Biol. Chem., 292, 2017
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6IJY
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1ODL
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![BU of 1odl by Molmil](/molmil-images/mine/1odl) | PURINE NUCLEOSIDE PHOSPHORYLASE FROM THERMUS THERMOPHILUS | Descriptor: | CHLORIDE ION, GLYCEROL, PURINE NUCLEOSIDE PHOSPHORYLASE, ... | Authors: | Tahirov, T.H, Inagaki, E, Miyano, M. | Deposit date: | 2003-02-19 | Release date: | 2003-02-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of Purine Nucleoside Phosphorylase from Thermus Thermophilus J.Mol.Biol., 337, 2004
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1ODJ
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1ODI
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7WKF
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![BU of 7wkf by Molmil](/molmil-images/mine/7wkf) | Antimicrobial peptide-LaIT2 | Descriptor: | Beta-KTx-like peptide LaIT2 | Authors: | Tamura, M, Morita, H, Ohki, S. | Deposit date: | 2022-01-09 | Release date: | 2023-04-05 | Method: | SOLUTION NMR | Cite: | Structural and functional studies of LaIT2, an antimicrobial and insecticidal peptide from Liocheles australasiae. Toxicon, 214, 2022
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1ODK
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1OD6
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![BU of 1od6 by Molmil](/molmil-images/mine/1od6) | The Crystal Structure of Phosphopantetheine adenylyltransferase from Thermus Thermophilus in complex with 4'-phosphopantetheine | Descriptor: | 4'-PHOSPHOPANTETHEINE, PHOSPHOPANTETHEINE ADENYLYLTRANSFERASE, SULFATE ION | Authors: | Takahashi, H, Inagaki, E, Miyano, M, Tahirov, T.H. | Deposit date: | 2003-02-13 | Release date: | 2003-03-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure and Implications for the Thermal Stability of Phosphopantetheine Adenylyltransferase from Thermus Thermophilus. Acta Crystallogr.,Sect.D, 60, 2004
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2BJA
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![BU of 2bja by Molmil](/molmil-images/mine/2bja) | Crystal Analysis of 1-Pyrroline-5-Carboxylate Dehydrogenase from Thermus with bound NADH | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 1-PYRROLINE-5-CARBOXYLATE DEHYDROGENASE, ... | Authors: | Inagaki, E, Tahirov, T.H. | Deposit date: | 2005-02-01 | Release date: | 2006-03-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of Thermus Thermophilus Delta1-Pyrroline-5-Carboxylate Dehydrogenase. J.Mol.Biol., 362, 2006
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2BHQ
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![BU of 2bhq by Molmil](/molmil-images/mine/2bhq) | Crystal Analysis of 1-Pyrroline-5-Carboxylate Dehydrogenase from Thermus with bound product glutamate. | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 1-PYRROLINE-5-CARBOXYLATE DEHYDROGENASE, ... | Authors: | Inagaki, E, Tahirov, T.H. | Deposit date: | 2005-01-16 | Release date: | 2006-03-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal Structure of Thermus Thermophilus Delta(1)- Pyrroline-5-Carboxylate Dehydrogenase. J.Mol.Biol., 362, 2006
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2BJK
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![BU of 2bjk by Molmil](/molmil-images/mine/2bjk) | Crystal Analysis of 1-Pyrroline-5-Carboxylate Dehydrogenase from Thermus with bound NAD and citrate. | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 1-PYRROLINE-5-CARBOXYLATE DEHYDROGENASE, ... | Authors: | Inagaki, E, Tahirov, T.H. | Deposit date: | 2005-02-04 | Release date: | 2006-03-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal Structure of Thermus Thermophilus Delta(1)- Pyrroline-5-Carboxylate Dehydrogenase. J.Mol.Biol., 362, 2006
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2BHP
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![BU of 2bhp by Molmil](/molmil-images/mine/2bhp) | Crystal Analysis of 1-Pyrroline-5-Carboxylate Dehydrogenase from Thermus with bound NAD. | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 1-PYRROLINE-5-CARBOXYLATE DEHYDROGENASE, ... | Authors: | Inagaki, E, Tahirov, T.H. | Deposit date: | 2005-01-16 | Release date: | 2006-03-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of Thermus Thermophilus Delta(1)- Pyrroline-5-Carboxylate Dehydrogenase. J.Mol.Biol., 362, 2006
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1REG
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5EK4
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![BU of 5ek4 by Molmil](/molmil-images/mine/5ek4) | Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with NLG919 analogue | Descriptor: | (1~{R})-1-cyclohexyl-2-[(5~{S})-6-fluoranyl-5~{H}-imidazo[1,5-b]isoindol-5-yl]ethanol, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Wu, S.Y, Peng, Y.H, Wu, J.S. | Deposit date: | 2015-11-03 | Release date: | 2015-12-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Important Hydrogen Bond Networks in Indoleamine 2,3-Dioxygenase 1 (IDO1) Inhibitor Design Revealed by Crystal Structures of Imidazoleisoindole Derivatives with IDO1 J.Med.Chem., 59, 2016
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5EK2
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![BU of 5ek2 by Molmil](/molmil-images/mine/5ek2) | Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with NLG919 analogue | Descriptor: | 1-cyclohexyl-2-[(5~{S})-6-fluoranyl-5~{H}-imidazo[1,5-b]isoindol-5-yl]ethanone, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Peng, Y.H, Wu, J.S, Wu, S.Y. | Deposit date: | 2015-11-03 | Release date: | 2015-12-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Important Hydrogen Bond Networks in Indoleamine 2,3-Dioxygenase 1 (IDO1) Inhibitor Design Revealed by Crystal Structures of Imidazoleisoindole Derivatives with IDO1 J.Med.Chem., 59, 2016
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5ETW
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![BU of 5etw by Molmil](/molmil-images/mine/5etw) | Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with NLG919 analogue | Descriptor: | (1~{R})-1-cyclohexyl-2-pyrido[3,4-b]indol-9-yl-ethanol, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Wu, S.Y, Peng, Y.H, Wu, J.S. | Deposit date: | 2015-11-18 | Release date: | 2016-02-10 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Important Hydrogen Bond Networks in Indoleamine 2,3-Dioxygenase 1 (IDO1) Inhibitor Design Revealed by Crystal Structures of Imidazoleisoindole Derivatives with IDO1. J.Med.Chem., 59, 2016
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