1AYU
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![BU of 1ayu by Molmil](/molmil-images/mine/1ayu) | CRYSTAL STRUCTURE OF CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT SYMMETRIC BISCARBOHYDRAZIDE INHIBITOR | Descriptor: | 1,5-BIS(N-BENZYLOXYCARBONYL-L-LEUCINYL)CARBOHYDRAZIDE, CATHEPSIN K | Authors: | Zhao, B, Smith, W.W, Janson, C.A, Abdel-Meguid, S.S. | Deposit date: | 1997-11-10 | Release date: | 1998-11-25 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Design of potent and selective human cathepsin K inhibitors that span the active site. Proc.Natl.Acad.Sci.USA, 94, 1997
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1AYW
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![BU of 1ayw by Molmil](/molmil-images/mine/1ayw) | CRYSTAL STRUCTURE OF CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT BENZYLOXYBENZOYLCARBOHYDRAZIDE INHIBITOR | Descriptor: | 1-(N-BENZYLOXYCARBONYL-L-LEUCINYL)-5-(3-BENZYLOXY BENZOYL)CARBOHYDRAZIDE, CATHEPSIN K | Authors: | Zhao, B, Smith, W.W, Janson, C.A, Abdel-Meguid, S.S. | Deposit date: | 1997-11-10 | Release date: | 1998-11-25 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Design of potent and selective human cathepsin K inhibitors that span the active site. Proc.Natl.Acad.Sci.USA, 94, 1997
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4M7I
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![BU of 4m7i by Molmil](/molmil-images/mine/4m7i) | Crystal Structure of GSK6157 Bound to PERK (R587-R1092, delete A660-T867) at 2.34A Resolution | Descriptor: | 1-[5-(4-amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluoro-1H-indol-1-yl]-2-(6-methylpyridin-2-yl)ethanone, Eukaryotic translation initiation factor 2-alpha kinase 3 | Authors: | Gampe, R.T, Axten, J.M. | Deposit date: | 2013-08-12 | Release date: | 2014-09-03 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Discovery of 5-{4-fluoro-1-[(6-methyl-2-pyridinyl)acetyl]-2,3-dihydro-1H-indol-5-yl}-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (GSK2656157), a Potent and Selective PERK Inhibitor Selected for Preclinical Development To be Published
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6OMU
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![BU of 6omu by Molmil](/molmil-images/mine/6omu) | Structure of human Bruton's Tyrosine Kinase in complex with Evobrutinib | Descriptor: | 1-[4-({[6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl]amino}methyl)piperidin-1-yl]prop-2-en-1-one, CHLORIDE ION, Tyrosine-protein kinase BTK | Authors: | Mochalkin, I, Gardberg, A.S. | Deposit date: | 2019-04-19 | Release date: | 2019-08-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Discovery of Evobrutinib: An Oral, Potent, and Highly Selective, Covalent Bruton's Tyrosine Kinase (BTK) Inhibitor for the Treatment of Immunological Diseases. J.Med.Chem., 62, 2019
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5XBH
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![BU of 5xbh by Molmil](/molmil-images/mine/5xbh) | |
5XB5
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![BU of 5xb5 by Molmil](/molmil-images/mine/5xb5) | |
8OHZ
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![BU of 8ohz by Molmil](/molmil-images/mine/8ohz) | Yeast 20S proteasome in complex with a photoswitchable cepafungin derivative (transCep1) | Descriptor: | (2~{S},3~{R})-2-[2-[4-[2-(4-ethylphenyl)hydrazinyl]phenyl]ethanoylamino]-~{N}-[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]-3-oxidanyl-butanamide, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Morstein, J, Amatuni, A, Schuster, A, Kuttenlochner, W, Ko, T, Groll, M, Adibekian, A, Renata, H, Trauner, D.H. | Deposit date: | 2023-03-21 | Release date: | 2023-12-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Optical Control of Proteasomal Protein Degradation with a Photoswitchable Lipopeptide. Angew.Chem.Int.Ed.Engl., 63, 2024
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5XAI
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![BU of 5xai by Molmil](/molmil-images/mine/5xai) | |
8OI1
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![BU of 8oi1 by Molmil](/molmil-images/mine/8oi1) | Yeast 20S proteasome in complex with a photoswitchable cepafungin derivative (transCep4) | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ... | Authors: | Morstein, J, Amatuni, A, Schuster, A, Kuttenlochner, W, Ko, T, Groll, M, Adibekian, A, Renata, H, Trauner, D.H. | Deposit date: | 2023-03-21 | Release date: | 2023-12-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Optical Control of Proteasomal Protein Degradation with a Photoswitchable Lipopeptide. Angew.Chem.Int.Ed.Engl., 63, 2024
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5XB2
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![BU of 5xb2 by Molmil](/molmil-images/mine/5xb2) | ADP-Mg-F-dTMP bound Crystal structure of thymidylate kinase (aq_969) from Aquifex Aeolicus VF5 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, FLUORIDE ION, MAGNESIUM ION, ... | Authors: | Biswas, A, Jeyakanthan, J, Sekar, K. | Deposit date: | 2017-03-15 | Release date: | 2017-06-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.161 Å) | Cite: | Structural studies of a hyperthermophilic thymidylate kinase enzyme reveal conformational substates along the reaction coordinate FEBS J., 284, 2017
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5LOZ
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![BU of 5loz by Molmil](/molmil-images/mine/5loz) | STRUCTURE OF YEAST ENT1 ENTH DOMAIN | Descriptor: | Epsin-1 | Authors: | Tanner, N, Prag, G. | Deposit date: | 2016-08-11 | Release date: | 2016-10-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A bacterial genetic selection system for ubiquitylation cascade discovery. Nat.Methods, 13, 2016
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5XB3
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5LP0
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![BU of 5lp0 by Molmil](/molmil-images/mine/5lp0) | |
8SV8
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![BU of 8sv8 by Molmil](/molmil-images/mine/8sv8) | Cryo-EM structure of a double loaded human UBA7-UBE2L6-ISG15 thioester mimetic complex from a composite map | Descriptor: | ADENOSINE MONOPHOSPHATE, Ubiquitin-like modifier-activating enzyme 7, Ubiquitin-like protein ISG15, ... | Authors: | Afsar, M, Jia, L, Ruben, E.A, Olsen, S.K. | Deposit date: | 2023-05-15 | Release date: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (3.38 Å) | Cite: | Cryo-EM structures of Uba7 reveal the molecular basis for ISG15 activation and E1-E2 thioester transfer. Nat Commun, 14, 2023
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5H5K
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![BU of 5h5k by Molmil](/molmil-images/mine/5h5k) | ATP and CMP bound Crystal structure of thymidylate kinase (aq_969) from Aquifex Aeolicus VF5 | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, CYTIDINE-5'-MONOPHOSPHATE, ... | Authors: | Biswas, A, Jeyakanthan, J, Sekar, K. | Deposit date: | 2016-11-06 | Release date: | 2017-06-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural studies of a hyperthermophilic thymidylate kinase enzyme reveal conformational substates along the reaction coordinate FEBS J., 284, 2017
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5H5B
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5H56
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![BU of 5h56 by Molmil](/molmil-images/mine/5h56) | ADP and dTDP bound Crystal structure of thymidylate kinase (aq_969) from Aquifex Aeolicus VF5 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, ... | Authors: | Biswas, A, Jeyakanthan, J, Sekar, K, Kuramitsu, S, Yokoyama, S. | Deposit date: | 2016-11-04 | Release date: | 2017-06-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural studies of a hyperthermophilic thymidylate kinase enzyme reveal conformational substates along the reaction coordinate FEBS J., 284, 2017
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8ATX
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8ATU
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![BU of 8atu by Molmil](/molmil-images/mine/8atu) | Cryo-EM structure of human BIRC6 | Descriptor: | Baculoviral IAP repeat-containing protein 6, ZINC ION | Authors: | Ehrmann, J.F, Grabarczyk, D.B, Clausen, T. | Deposit date: | 2022-08-24 | Release date: | 2023-02-15 | Last modified: | 2023-03-29 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural basis for regulation of apoptosis and autophagy by the BIRC6/SMAC complex. Science, 379, 2023
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8AUW
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8AUK
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![BU of 8auk by Molmil](/molmil-images/mine/8auk) | Cryo-EM structure of human BIRC6 in complex with HTRA2. | Descriptor: | Baculoviral IAP repeat-containing protein 6, Serine protease HTRA2, mitochondrial, ... | Authors: | Ehrmann, J.F, Grabarczyk, D.B, Clausen, T. | Deposit date: | 2022-08-25 | Release date: | 2023-02-15 | Last modified: | 2023-05-24 | Method: | ELECTRON MICROSCOPY (6.2 Å) | Cite: | Structural basis for regulation of apoptosis and autophagy by the BIRC6/SMAC complex. Science, 379, 2023
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8SEB
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![BU of 8seb by Molmil](/molmil-images/mine/8seb) | Cryo-EM structure of a single loaded human UBA7-UBE2L6-ISG15 adenylate complex | Descriptor: | ADENOSINE MONOPHOSPHATE, Ubiquitin-like modifier-activating enzyme 7, Ubiquitin-like protein ISG15, ... | Authors: | Afsar, M, Jia, L, Ruben, E.A, Olsen, S.K. | Deposit date: | 2023-04-08 | Release date: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (3.24 Å) | Cite: | Cryo-EM structures of Uba7 reveal the molecular basis for ISG15 activation and E1-E2 thioester transfer. Nat Commun, 14, 2023
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8SE9
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![BU of 8se9 by Molmil](/molmil-images/mine/8se9) | Cryo-EM structure of a double loaded human UBA7-UBE2L6-ISG15 thioester mimetic complex (Form 2) | Descriptor: | ADENOSINE MONOPHOSPHATE, Ubiquitin-like modifier-activating enzyme 7, Ubiquitin-like protein ISG15, ... | Authors: | Afsar, M, Jia, L, Ruben, E.A, Olsen, S.K. | Deposit date: | 2023-04-08 | Release date: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Cryo-EM structures of Uba7 reveal the molecular basis for ISG15 activation and E1-E2 thioester transfer. Nat Commun, 14, 2023
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8SEA
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![BU of 8sea by Molmil](/molmil-images/mine/8sea) | Cryo-EM structure of a double loaded human UBA7-UBE2L6-ISG15 thioester mimetic complex (Form 1) | Descriptor: | ADENOSINE MONOPHOSPHATE, Ubiquitin-like modifier-activating enzyme 7, Ubiquitin-like protein ISG15, ... | Authors: | Afsar, M, Jia, L, Ruben, E.A, Olsen, S.K. | Deposit date: | 2023-04-08 | Release date: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Cryo-EM structures of Uba7 reveal the molecular basis for ISG15 activation and E1-E2 thioester transfer. Nat Commun, 14, 2023
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4XCU
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![BU of 4xcu by Molmil](/molmil-images/mine/4xcu) | Crystal Structure of FGFR4 with an Irreversible Inhibitor | Descriptor: | Fibroblast growth factor receptor 4, N-(2-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino}-3-methylphenyl)propanamide, SULFATE ION | Authors: | Kim, J.L, Miduturu, C, Hodous, B, Brooijmans, N, Bifulco, N, Guzi, T. | Deposit date: | 2014-12-18 | Release date: | 2015-04-01 | Last modified: | 2018-12-12 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | First Selective Small Molecule Inhibitor of FGFR4 for the Treatment of Hepatocellular Carcinomas with an Activated FGFR4 Signaling Pathway. Cancer Discov, 5, 2015
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