6ZHT
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![BU of 6zht by Molmil](/molmil-images/mine/6zht) | Uba1-Ubc13 disulfide mediated complex | Descriptor: | CHLORIDE ION, GLYCEROL, Ubiquitin-activating enzyme E1 1, ... | Authors: | Schaefer, A, Misra, M, Schindelin, H. | Deposit date: | 2020-06-23 | Release date: | 2022-01-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | ATP induced conformational changes facilitate E1-E2 disulfide bridging in the ubiquitin system. To Be Published
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5C1A
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![BU of 5c1a by Molmil](/molmil-images/mine/5c1a) | p97-N750D/R753D/M757D/Q760D in complex with ATP-gamma-S | Descriptor: | MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Transitional endoplasmic reticulum ATPase | Authors: | Haenzelmann, P, Schindelin, H. | Deposit date: | 2015-06-13 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Structural Basis of ATP Hydrolysis and Intersubunit Signaling in the AAA+ ATPase p97. Structure, 24, 2016
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6GF3
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![BU of 6gf3 by Molmil](/molmil-images/mine/6gf3) | Tubulin-Jerantinine B acetate complex | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Smedley, C.J, Stanley, P.A, Qazzaz, M.E, Prota, A.E, Olieric, N, Collins, H, Eastman, H, Barrow, A.S, Lim, K.-H, Kam, T.-S, Smith, B.J, Duivenvoorden, H.M, Parker, B.S, Bradshaw, T.D, Steinmetz, M.O, Moses, J.E. | Deposit date: | 2018-04-29 | Release date: | 2019-05-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Sustainable Syntheses of (-)-Jerantinines A & E and Structural Characterisation of the Jerantinine-Tubulin Complex at the Colchicine Binding Site. Sci Rep, 8, 2018
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5L6H
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![BU of 5l6h by Molmil](/molmil-images/mine/5l6h) | Uba1 in complex with Ub-ABPA3 covalent adduct | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Misra, M, Schindelin, H. | Deposit date: | 2016-05-30 | Release date: | 2017-06-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Dissecting the Specificity of Adenosyl Sulfamate Inhibitors Targeting the Ubiquitin-Activating Enzyme. Structure, 25, 2017
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5L6I
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![BU of 5l6i by Molmil](/molmil-images/mine/5l6i) | Uba1 in complex with Ub-MLN4924 covalent adduct | Descriptor: | CHLORIDE ION, GLYCEROL, SULFATE ION, ... | Authors: | Misra, M, Schindelin, H. | Deposit date: | 2016-05-30 | Release date: | 2017-06-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Dissecting the Specificity of Adenosyl Sulfamate Inhibitors Targeting the Ubiquitin-Activating Enzyme. Structure, 25, 2017
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6ZJ9
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![BU of 6zj9 by Molmil](/molmil-images/mine/6zj9) | Crystal structure of Equus ferus caballus glutathione transferase A3-3 in complex with glutathione | Descriptor: | 1,2-ETHANEDIOL, GLUTATHIONE, Glutathione S-transferase | Authors: | Skerlova, J, Ismail, A, Lindstrom, H, Sjodin, B, Mannervik, B, Stenmark, P. | Deposit date: | 2020-06-28 | Release date: | 2020-11-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural and functional analysis of the inhibition of equine glutathione transferase A3-3 by organotin endocrine disrupting pollutants. Environ Pollut, 268, 2021
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5L6J
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![BU of 5l6j by Molmil](/molmil-images/mine/5l6j) | Uba1 in complex with Ub-MLN7243 covalent adduct | Descriptor: | CHLORIDE ION, GLYCEROL, SULFATE ION, ... | Authors: | Misra, M, Schindelin, H. | Deposit date: | 2016-05-30 | Release date: | 2017-06-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Dissecting the Specificity of Adenosyl Sulfamate Inhibitors Targeting the Ubiquitin-Activating Enzyme. Structure, 25, 2017
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6FGC
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![BU of 6fgc by Molmil](/molmil-images/mine/6fgc) | Crystal structure of Gephyrin E domain in complex with Artesunate | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ... | Authors: | Kasaragod, V.B, Schindelin, H. | Deposit date: | 2018-01-10 | Release date: | 2019-01-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Elucidating the Molecular Basis for Inhibitory Neurotransmission Regulation by Artemisinins. Neuron, 101, 2019
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6FGD
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![BU of 6fgd by Molmil](/molmil-images/mine/6fgd) | |
8S8A
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![BU of 8s8a by Molmil](/molmil-images/mine/8s8a) | Human pyridoxal phosphatase in complex with 7,8-dihydroxyflavone without phosphate | Descriptor: | 7,8-bis(oxidanyl)-2-phenyl-chromen-4-one, CHLORIDE ION, Chronophin, ... | Authors: | Brenner, M, Gohla, A, Schindelin, H. | Deposit date: | 2024-03-06 | Release date: | 2024-06-12 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | 7,8-Dihydroxyflavone is a direct inhibitor of human and murine pyridoxal phosphatase. Elife, 13, 2024
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6GXY
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![BU of 6gxy by Molmil](/molmil-images/mine/6gxy) | Tryparedoxin from Trypanosoma brucei in complex with CFT | Descriptor: | 5-(4-fluorophenyl)-2-methyl-3~{H}-thieno[2,3-d]pyrimidin-4-one, Tryparedoxin | Authors: | Bader, N, Wagner, A, Hellmich, U, Schindelin, H. | Deposit date: | 2018-06-27 | Release date: | 2019-01-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Inhibitor-Induced Dimerization of an Essential Oxidoreductase from African Trypanosomes. Angew. Chem. Int. Ed. Engl., 58, 2019
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6GXG
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![BU of 6gxg by Molmil](/molmil-images/mine/6gxg) | Tryparedoxin from Trypanosoma brucei in complex with CFT | Descriptor: | 5-(4-fluorophenyl)-2-methyl-3~{H}-thieno[2,3-d]pyrimidin-4-one, GLYCEROL, Tryparedoxin | Authors: | Bader, N, Wagner, A, Hellmich, U, Schindelin, H. | Deposit date: | 2018-06-27 | Release date: | 2019-01-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Inhibitor-Induced Dimerization of an Essential Oxidoreductase from African Trypanosomes. Angew. Chem. Int. Ed. Engl., 58, 2019
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5C18
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![BU of 5c18 by Molmil](/molmil-images/mine/5c18) | p97-delta709-728 in complex with ATP-gamma-S | Descriptor: | CHLORIDE ION, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | Authors: | Haenzelmann, P, Schindelin, H. | Deposit date: | 2015-06-13 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structural Basis of ATP Hydrolysis and Intersubunit Signaling in the AAA+ ATPase p97. Structure, 24, 2016
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5C19
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![BU of 5c19 by Molmil](/molmil-images/mine/5c19) | p97 variant 2 in the apo state | Descriptor: | SULFATE ION, Transitional endoplasmic reticulum ATPase | Authors: | Haenzelmann, P, Schindelin, H. | Deposit date: | 2015-06-13 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (4.2 Å) | Cite: | Structural Basis of ATP Hydrolysis and Intersubunit Signaling in the AAA+ ATPase p97. Structure, 24, 2016
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5C1B
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![BU of 5c1b by Molmil](/molmil-images/mine/5c1b) | |
5ERV
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![BU of 5erv by Molmil](/molmil-images/mine/5erv) | |
5ERQ
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![BU of 5erq by Molmil](/molmil-images/mine/5erq) | |
8FXT
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![BU of 8fxt by Molmil](/molmil-images/mine/8fxt) | Escherichia coli periplasmic Glucose-Binding Protein glucose complex: Acrylodan conjugate attached at W183C | Descriptor: | 1-[6-(dimethylamino)naphthalen-2-yl]propan-1-one, CALCIUM ION, D-galactose/methyl-galactoside binding periplasmic protein MglB, ... | Authors: | Allert, M.J, Kumar, S, Wang, Y, Beese, L.S, Hellinga, H.W. | Deposit date: | 2023-01-25 | Release date: | 2023-08-30 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Chromophore carbonyl twisting in fluorescent biosensors encodes direct readout of protein conformations with multicolor switching. Commun Chem, 6, 2023
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8FXU
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![BU of 8fxu by Molmil](/molmil-images/mine/8fxu) | Thermoanaerobacter thermosaccharolyticum periplasmic Glucose-Binding Protein glucose complex: Badan conjugate attached at F17C | Descriptor: | 2-bromo-1-[6-(dimethylamino)naphthalen-2-yl]ethan-1-one, CALCIUM ION, CHLORIDE ION, ... | Authors: | Allert, M.J, Kumar, S, Beese, L.S, Hellinga, H.W. | Deposit date: | 2023-01-25 | Release date: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Chromophore carbonyl twisting in fluorescent biosensors encodes direct readout of protein conformations with multicolor switching. Commun Chem, 6, 2023
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5YPP
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![BU of 5ypp by Molmil](/molmil-images/mine/5ypp) | Crystal structure of IlvN.Val-1a | Descriptor: | ACETATE ION, Acetolactate synthase isozyme 1 small subunit, DI(HYDROXYETHYL)ETHER, ... | Authors: | Sarma, S.P, Bansal, A, Schindelin, H, Demeler, B. | Deposit date: | 2017-11-02 | Release date: | 2018-09-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystallographic Structures of IlvN·Val/Ile Complexes: Conformational Selectivity for Feedback Inhibition of Aceto Hydroxy Acid Synthases. Biochemistry, 58, 2019
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5YPW
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![BU of 5ypw by Molmil](/molmil-images/mine/5ypw) | Crystal structure of IlvN.Val-1b | Descriptor: | Acetolactate synthase isozyme 1 small subunit, VALINE | Authors: | Sarma, S.P, Bansal, A, Schindelin, H, Demeler, B. | Deposit date: | 2017-11-03 | Release date: | 2018-09-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystallographic Structures of IlvN·Val/Ile Complexes: Conformational Selectivity for Feedback Inhibition of Aceto Hydroxy Acid Synthases. Biochemistry, 58, 2019
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6ENS
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![BU of 6ens by Molmil](/molmil-images/mine/6ens) | Structure of mouse wild-type RKIP | Descriptor: | ACETATE ION, GLYCEROL, Phosphatidylethanolamine-binding protein 1 | Authors: | Hirschbeck, M, Koelmel, W, Schindelin, H, Lorenz, K, Kisker, C. | Deposit date: | 2017-10-06 | Release date: | 2017-12-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Conserved salt-bridge competition triggered by phosphorylation regulates the protein interactome. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5YPY
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![BU of 5ypy by Molmil](/molmil-images/mine/5ypy) | Crystal structure of IlvN. Val-1c | Descriptor: | Acetolactate synthase isozyme 1 small subunit, VALINE | Authors: | Sarma, S.P, Bansal, A, Schindelin, H, Demeler, B. | Deposit date: | 2017-11-04 | Release date: | 2018-09-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.966 Å) | Cite: | Crystallographic Structures of IlvN·Val/Ile Complexes: Conformational Selectivity for Feedback Inhibition of Aceto Hydroxy Acid Synthases. Biochemistry, 58, 2019
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5L6P
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![BU of 5l6p by Molmil](/molmil-images/mine/5l6p) | EphB3 kinase domain covalently bound to an irreversible inhibitor (compound 6) | Descriptor: | 1,4-DIETHYLENE DIOXIDE, Ephrin type-B receptor 3, ~{N}-(4-phenylazanylquinazolin-7-yl)ethanamide | Authors: | Schimpl, M, Overman, R, Kung, A, Chen, Y.-C, Ni, F, Zhu, J, Turner, M, Molina, H, Zhang, C. | Deposit date: | 2016-05-30 | Release date: | 2016-08-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Development of Specific, Irreversible Inhibitors for a Receptor Tyrosine Kinase EphB3. J.Am.Chem.Soc., 138, 2016
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5L6O
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![BU of 5l6o by Molmil](/molmil-images/mine/5l6o) | EphB3 kinase domain covalently bound to an irreversible inhibitor (compound 3) | Descriptor: | 1,4-DIETHYLENE DIOXIDE, 1-(4-phenylazanylquinazolin-7-yl)ethanone, Ephrin type-B receptor 3 | Authors: | Schimpl, M, Overman, R, Kung, A, Chen, Y.-C, Ni, F, Zhu, J, Turner, M, Molina, H, Zhang, C. | Deposit date: | 2016-05-30 | Release date: | 2016-08-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Development of Specific, Irreversible Inhibitors for a Receptor Tyrosine Kinase EphB3. J.Am.Chem.Soc., 138, 2016
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