2MTD
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7L07
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![BU of 7l07 by Molmil](/molmil-images/mine/7l07) | Last common ancestor of HMPPK and PLK/HMPPK vitamin kinases | Descriptor: | ALUMINUM FLUORIDE, Ancestral Protein AncC | Authors: | Gonzalez-Ordenes, F, Maturana, P, Herrera-Morande, A, Araya, G, Arizabalos, S, Castro-Fernandez, V. | Deposit date: | 2020-12-11 | Release date: | 2021-02-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure and molecular dynamics simulations of a promiscuous ancestor reveal residues and an epistatic interaction involved in substrate binding and catalysis in the ATP-dependent vitamin kinase family members. Protein Sci., 30, 2021
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2BH0
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![BU of 2bh0 by Molmil](/molmil-images/mine/2bh0) | Crystal structure of a SeMet derivative of EXPA from Bacillus subtilis at 2.5 angstrom | Descriptor: | YOAJ | Authors: | Petrella, S, Herman, R, Sauvage, E, Filee, P, Joris, B, Charlier, P. | Deposit date: | 2005-01-06 | Release date: | 2006-06-28 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure and Activity of Bacillus Subtilis Yoaj (Exlx1), a Bacterial Expansin that Promotes Root Colonization. Proc.Natl.Acad.Sci.USA, 105, 2008
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6FG7
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![BU of 6fg7 by Molmil](/molmil-images/mine/6fg7) | Crystal structure of the BIR2 ectodomain from Arabidopsis thaliana. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Inactive LRR receptor-like serine/threonine-protein kinase BIR2, ... | Authors: | Hothorn, M, Hohmann, U. | Deposit date: | 2018-01-10 | Release date: | 2018-01-24 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The SERK3 elongated allele defines a role for BIR ectodomains in brassinosteroid signalling. Nat Plants, 4, 2018
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6FG8
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![BU of 6fg8 by Molmil](/molmil-images/mine/6fg8) | Crystal structure of the BIR3 - SERK1 complex from Arabidopsis thaliana. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, ... | Authors: | Hothorn, M, Hohmann, U. | Deposit date: | 2018-01-10 | Release date: | 2018-01-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | The SERK3 elongated allele defines a role for BIR ectodomains in brassinosteroid signalling. Nat Plants, 4, 2018
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4ESR
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![BU of 4esr by Molmil](/molmil-images/mine/4esr) | Molecular and Structural Characterization of the SH3 Domain of AHI-1 in Regulation of Cellular Resistance of BCR-ABL+ Chronic Myeloid Leukemia Cells to Tyrosine Kinase Inhibitors | Descriptor: | DI(HYDROXYETHYL)ETHER, Jouberin | Authors: | Van Petegem, X.F, Liu, P.X, Lobo, P, Jiang, X. | Deposit date: | 2012-04-23 | Release date: | 2012-06-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Molecular and structural characterization of the SH3 domain of AHI-1 in regulation of cellular resistance of BCR-ABL(+) chronic myeloid leukemia cells to tyrosine kinase inhibitors. Proteomics, 12, 2012
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5O5D
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![BU of 5o5d by Molmil](/molmil-images/mine/5o5d) | Cellobiohydrolase Cel7A from T. atroviride | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Borisova, A.S, Stahlberg, J, Hansson, H. | Deposit date: | 2017-06-01 | Release date: | 2018-01-31 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Correlation of structure, function and protein dynamics in GH7 cellobiohydrolases from Trichoderma atroviride, T. reesei and T. harzianum. Biotechnol Biofuels, 11, 2018
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5O59
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![BU of 5o59 by Molmil](/molmil-images/mine/5o59) | Cellobiohydrolase Cel7A from T. atroviride | Descriptor: | 1-thio-beta-D-glucopyranose, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Borisova, A.S, Stahlberg, J, Hansson, H. | Deposit date: | 2017-06-01 | Release date: | 2018-01-31 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Correlation of structure, function and protein dynamics in GH7 cellobiohydrolases from Trichoderma atroviride, T. reesei and T. harzianum. Biotechnol Biofuels, 11, 2018
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2MN2
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![BU of 2mn2 by Molmil](/molmil-images/mine/2mn2) | 3D structure of YmoB, a modulator of biofilm formation | Descriptor: | YmoB | Authors: | Marimon, O, Cordeiro, T.N, Amata, I, Pons, M. | Deposit date: | 2014-03-26 | Release date: | 2015-04-01 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | An oxygen-sensitive toxin-antitoxin system. Nat Commun, 7, 2016
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6AAJ
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![BU of 6aaj by Molmil](/molmil-images/mine/6aaj) | Crystal structure of JAK2 in complex with peficitinib | Descriptor: | 4-[[(1S,3R)-5-oxidanyl-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide, Tyrosine-protein kinase JAK2 | Authors: | Amano, Y, Tateishi, Y. | Deposit date: | 2018-07-18 | Release date: | 2018-08-15 | Last modified: | 2023-03-08 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Discovery and structural characterization of peficitinib (ASP015K) as a novel and potent JAK inhibitor Bioorg. Med. Chem., 26, 2018
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6AAM
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![BU of 6aam by Molmil](/molmil-images/mine/6aam) | Crystal structure of TYK2 in complex with peficitinib | Descriptor: | 4-[[(1S,3R)-5-oxidanyl-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide, Non-receptor tyrosine-protein kinase TYK2 | Authors: | Nomura, N, Tomimoto, Y. | Deposit date: | 2018-07-18 | Release date: | 2018-08-15 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Discovery and structural characterization of peficitinib (ASP015K) as a novel and potent JAK inhibitor Bioorg. Med. Chem., 26, 2018
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6AAH
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![BU of 6aah by Molmil](/molmil-images/mine/6aah) | Crystal structure of JAK1 in complex with peficitinib | Descriptor: | 4-[[(1S,3R)-5-oxidanyl-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide, Tyrosine-protein kinase JAK1 | Authors: | Amano, Y. | Deposit date: | 2018-07-18 | Release date: | 2018-08-15 | Last modified: | 2018-10-24 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Discovery and structural characterization of peficitinib (ASP015K) as a novel and potent JAK inhibitor Bioorg. Med. Chem., 26, 2018
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6AAK
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![BU of 6aak by Molmil](/molmil-images/mine/6aak) | Crystal structure of JAK3 in complex with peficitinib | Descriptor: | 4-[[(1S,3R)-5-oxidanyl-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide, Tyrosine-protein kinase JAK3 | Authors: | Amano, Y. | Deposit date: | 2018-07-18 | Release date: | 2018-08-15 | Last modified: | 2018-10-24 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Discovery and structural characterization of peficitinib (ASP015K) as a novel and potent JAK inhibitor Bioorg. Med. Chem., 26, 2018
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5Y95
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![BU of 5y95 by Molmil](/molmil-images/mine/5y95) | Haddock model of mSIN3B PAH1 domain | Descriptor: | Paired amphipathic helix protein Sin3b, propan-2-yl (3R,6S,9aS)-3-ethyl-8-(3-methylbutyl)-6-(2-methylsulfanylethyl)-4,7-bis(oxidanylidene)-9,9a-dihydro-6H-pyrazino[2,1-c][1,2,4]oxadiazine-1-carboxylate | Authors: | Kurita, J, Hirao, Y, Nishimura, Y. | Deposit date: | 2017-08-22 | Release date: | 2017-10-04 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | A mimetic of the mSin3-binding helix of NRSF/REST ameliorates abnormal pain behavior in chronic pain models. Bioorg. Med. Chem. Lett., 27, 2017
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1BQA
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2WKE
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![BU of 2wke by Molmil](/molmil-images/mine/2wke) | Crystal structure of the Actinomadura R39 DD-peptidase inhibited by 6- beta-iodopenicillanate. | Descriptor: | (3S)-2,2-dimethyl-3,4-dihydro-2H-1,4-thiazine-3,6-dicarboxylic acid, COBALT (II) ION, D-ALANYL-D-ALANINE CARBOXYPEPTIDASE, ... | Authors: | Sauvage, E, Herman, R, Kerff, F, Charlier, P. | Deposit date: | 2009-06-10 | Release date: | 2009-12-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Basis of the Inhibition of Class a Beta-Lactamases and Penicillin-Binding Proteins by 6-Beta-Iodopenicillanate. J.Am.Chem.Soc., 131, 2009
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1BQD
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2XYA
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![BU of 2xya by Molmil](/molmil-images/mine/2xya) | Non-covalent inhibtors of rhinovirus 3C protease. | Descriptor: | 2-PHENYLQUINOLIN-4-OL, PICORNAIN 3C | Authors: | Petersen, J, Edman, K, Edfeldt, F, Johansson, C. | Deposit date: | 2010-11-16 | Release date: | 2011-04-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Non-Covalent Inhibitors of Rhinovirus 3C Protease. Bioorg.Med.Chem.Lett., 21, 2011
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7LS5
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![BU of 7ls5 by Molmil](/molmil-images/mine/7ls5) | Cryo-EM structure of the Pre3-1 20S proteasome core particle | Descriptor: | Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ... | Authors: | Schnell, H.M, Walsh Jr, R.M, Rawson, S, Hanna, J.W. | Deposit date: | 2021-02-17 | Release date: | 2021-04-14 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.74 Å) | Cite: | Structures of chaperone-associated assembly intermediates reveal coordinated mechanisms of proteasome biogenesis. Nat.Struct.Mol.Biol., 28, 2021
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7LS6
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![BU of 7ls6 by Molmil](/molmil-images/mine/7ls6) | Cryo-EM structure of Pre-15S proteasome core particle assembly intermediate purified from Pre3-1 proteasome mutant (G34D) | Descriptor: | Proteasome assembly chaperone 2, Proteasome chaperone 1, Proteasome maturation factor UMP1, ... | Authors: | Schnell, H.M, Walsh Jr, R.M, Rawson, S, Hanna, J.W. | Deposit date: | 2021-02-17 | Release date: | 2021-04-14 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.17 Å) | Cite: | Structures of chaperone-associated assembly intermediates reveal coordinated mechanisms of proteasome biogenesis. Nat.Struct.Mol.Biol., 28, 2021
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7LSX
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![BU of 7lsx by Molmil](/molmil-images/mine/7lsx) | Cryo-EM structure of 13S proteasome core particle assembly intermediate purified from Pre3-1 proteasome mutant (G34D) | Descriptor: | Proteasome assembly chaperone 2, Proteasome chaperone 1, Proteasome maturation factor UMP1, ... | Authors: | Schnell, H.M, Walsh Jr, R.M, Rawson, S, Hanna, J.W. | Deposit date: | 2021-02-18 | Release date: | 2021-04-14 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.61 Å) | Cite: | Structures of chaperone-associated assembly intermediates reveal coordinated mechanisms of proteasome biogenesis. Nat.Struct.Mol.Biol., 28, 2021
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4ARN
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![BU of 4arn by Molmil](/molmil-images/mine/4arn) | Crystal structure of the N-terminal domain of Drosophila Toll receptor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MALONATE ION, ... | Authors: | Gangloff, M, Gay, N.J. | Deposit date: | 2012-04-25 | Release date: | 2013-01-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Functional Insights from the Crystal Structure of the N-Terminal Domain of the Prototypical Toll Receptor. Structure, 21, 2013
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3FQI
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![BU of 3fqi by Molmil](/molmil-images/mine/3fqi) | Crystal Structure of the Mouse Dom3Z | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MAGNESIUM ION, Protein Dom3Z | Authors: | Xiang, S, Tong, L. | Deposit date: | 2009-01-07 | Release date: | 2009-02-03 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.013 Å) | Cite: | Structure and function of the 5'-->3' exoribonuclease Rat1 and its activating partner Rai1. Nature, 458, 2009
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3FQG
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![BU of 3fqg by Molmil](/molmil-images/mine/3fqg) | Crystal Structure of the S. pombe Rai1 | Descriptor: | MAGNESIUM ION, Protein din1 | Authors: | Xiang, S, Tong, L. | Deposit date: | 2009-01-07 | Release date: | 2009-02-03 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure and function of the 5'-->3' exoribonuclease Rat1 and its activating partner Rai1. Nature, 458, 2009
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3FQJ
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![BU of 3fqj by Molmil](/molmil-images/mine/3fqj) | Crystal Structure of the Mouse Dom3Z in Complex with GDP | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Protein Dom3Z | Authors: | Xiang, S, Tong, L. | Deposit date: | 2009-01-07 | Release date: | 2009-02-03 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.623 Å) | Cite: | Structure and function of the 5'-->3' exoribonuclease Rat1 and its activating partner Rai1. Nature, 458, 2009
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