8CJ9
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![BU of 8cj9 by Molmil](/molmil-images/mine/8cj9) | Crystal structure of maize CKO/CKX8 in complex with urea-derived inhibitor 2-[(3,5-dichlorophenyl)carbamoylamino]benzamide | Descriptor: | 1,2-ETHANEDIOL, 2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]benzamide, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Kopecny, D, Briozzo, P, Morera, S. | Deposit date: | 2023-02-12 | Release date: | 2024-02-21 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Cytokinin oxidase/dehydrogenase inhibitors: progress towards agricultural practice. J.Exp.Bot., 2024
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7NB7
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![BU of 7nb7 by Molmil](/molmil-images/mine/7nb7) | Structure of Mcl-1 complex with compound 6b | Descriptor: | (2~{R})-2-[[7-but-2-ynyl-5-(3-chloranyl-2-methyl-phenyl)-6-ethyl-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Dokurno, P, Surgenor, A.E, Kotschy, A. | Deposit date: | 2021-01-25 | Release date: | 2021-10-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.82 Å) | Cite: | The Effect of Core Replacement on S64315, a Selective MCL-1 Inhibitor, and Its Analogues. Acs Omega, 6, 2021
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7NB4
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![BU of 7nb4 by Molmil](/molmil-images/mine/7nb4) | Structure of Mcl-1 complex with compound 1 | Descriptor: | (2~{R})-2-[[5-(3-chloranyl-2-methyl-phenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, Induced myeloid leukemia cell differentiation protein Mcl-1, ... | Authors: | Dokurno, P, Surgenor, A.E, Kotschy, A. | Deposit date: | 2021-01-25 | Release date: | 2021-10-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Effect of Core Replacement on S64315, a Selective MCL-1 Inhibitor, and Its Analogues. Acs Omega, 6, 2021
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8CK6
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![BU of 8ck6 by Molmil](/molmil-images/mine/8ck6) | Crystal structure of maize CKO/CKX8 in complex with urea-derived inhibitor 2-[(3,5-dichlorophenyl)carbamoylamino]-4-methoxy-benzamide | Descriptor: | 1,2-ETHANEDIOL, 2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]-4-methoxy-benzamide, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Kopecny, D, Briozzo, P, Morera, S. | Deposit date: | 2023-02-14 | Release date: | 2024-02-28 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Cytokinin oxidase/dehydrogenase inhibitors: progress towards agricultural practice. J.Exp.Bot., 2024
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8CKQ
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![BU of 8ckq by Molmil](/molmil-images/mine/8ckq) | Crystal structure of maize cytokinin oxidase/dehydrogenase 4 (CKO/CKX4) in complex with inhibitor 2-[(3,5-dichlorophenyl)carbamoylamino]benzamide | Descriptor: | 2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]benzamide, Cytokinin dehydrogenase 4, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Kopecny, D, Briozzo, P, Morera, S. | Deposit date: | 2023-02-16 | Release date: | 2024-02-28 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Cytokinin oxidase/dehydrogenase inhibitors: progress towards agricultural practice. J.Exp.Bot., 2024
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8CKT
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![BU of 8ckt by Molmil](/molmil-images/mine/8ckt) | Crystal structure of maize cytokinin oxidase/dehydrogenase 4 (CKO/CKX4) in complex with inhibitor 2-[(3,5-dichlorophenyl)carbamoylamino]-4-(trifluoromethoxy)benzamide | Descriptor: | 2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]-4-(trifluoromethyloxy)benzamide, Cytokinin dehydrogenase 4, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Kopecny, D, Briozzo, P, Morera, S. | Deposit date: | 2023-02-16 | Release date: | 2024-02-28 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Cytokinin oxidase/dehydrogenase inhibitors: progress towards agricultural practice. J.Exp.Bot., 2024
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8CLW
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![BU of 8clw by Molmil](/molmil-images/mine/8clw) | Crystal structure of maize cytokinin oxidase/dehydrogenase 4 (CKO/CKX4) in complex with inhibitor 2-[(3,5-dichlorophenyl)carbamoylamino]-4-methoxy-benzamide | Descriptor: | 1,2-ETHANEDIOL, 2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]-4-methoxy-benzamide, Cytokinin dehydrogenase 4, ... | Authors: | Kopecny, D, Briozzo, P, Morera, S. | Deposit date: | 2023-02-17 | Release date: | 2024-02-28 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Cytokinin oxidase/dehydrogenase inhibitors: progress towards agricultural practice. J.Exp.Bot., 2024
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8CM2
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![BU of 8cm2 by Molmil](/molmil-images/mine/8cm2) | Crystal structure of maize cytokinin oxidase/dehydrogenase 4 (CKO/CKX4) in complex with inhibitor 2-[[3,5-dichloro-2-(2-hydroxyethyl)phenyl]carbamoylamino]-4-(trifluoromethoxy)benzamide | Descriptor: | 2-[[3,5-bis(chloranyl)-2-(2-hydroxyethyl)phenyl]carbamoylamino]-4-(trifluoromethyloxy)benzamide, Cytokinin dehydrogenase 4, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Kopecny, D, Briozzo, P, Morera, S. | Deposit date: | 2023-02-17 | Release date: | 2024-02-28 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Cytokinin oxidase/dehydrogenase inhibitors: progress towards agricultural practice. J.Exp.Bot., 2024
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8QJR
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![BU of 8qjr by Molmil](/molmil-images/mine/8qjr) | BRG1 bromodomain in complex with VBC via compound 17 | Descriptor: | (2S,4R)-1-[(2R)-2-[3-[2-[4-[3-[4-[(1R,5S)-3-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridin-2-yl]oxycyclobutyl]oxypiperidin-1-yl]ethoxy]-1,2-oxazol-5-yl]-3-methyl-butanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide, CHLORIDE ION, Elongin-B, ... | Authors: | Kerry, P.S, Hole, A.J, Perez-Dorado, J.I. | Deposit date: | 2023-09-13 | Release date: | 2024-01-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.17 Å) | Cite: | PROTACs Targeting BRM (SMARCA2) Afford Selective In Vivo Degradation over BRG1 (SMARCA4) and Are Active in BRG1 Mutant Xenograft Tumor Models. J.Med.Chem., 67, 2024
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7ZKY
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![BU of 7zky by Molmil](/molmil-images/mine/7zky) | |
7O4A
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![BU of 7o4a by Molmil](/molmil-images/mine/7o4a) | |
7O49
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![BU of 7o49 by Molmil](/molmil-images/mine/7o49) | |
7O4C
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![BU of 7o4c by Molmil](/molmil-images/mine/7o4c) | |
6YI7
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![BU of 6yi7 by Molmil](/molmil-images/mine/6yi7) | Structure of cathepsin B1 from Schistosoma mansoni (SmCB1) in complex with an azanitrile inhibitor | Descriptor: | 1-[(2~{S})-1-[[iminomethyl(methyl)amino]-methyl-amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-3-(phenylmethyl)urea, ACETATE ION, Cathepsin B-like peptidase (C01 family) | Authors: | Jilkova, A, Rezacova, P, Pachl, P, Fanfrlik, J, Rubesova, P, Guetschow, M, Mares, M. | Deposit date: | 2020-04-01 | Release date: | 2020-12-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | Azanitrile Inhibitors of the SmCB1 Protease Target Are Lethal to Schistosoma mansoni : Structural and Mechanistic Insights into Chemotype Reactivity. Acs Infect Dis., 7, 2021
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7O0Y
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![BU of 7o0y by Molmil](/molmil-images/mine/7o0y) | ABC transporter NosDFY, nucleotide-free in GDN | Descriptor: | MAGNESIUM ION, Probable ABC transporter ATP-binding protein NosF, Probable ABC transporter binding protein NosD, ... | Authors: | Mueller, C, Zhang, L, Lu, W, Einsle, O, Du, J. | Deposit date: | 2021-03-28 | Release date: | 2022-04-13 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Molecular interplay of an assembly machinery for nitrous oxide reductase. Nature, 608, 2022
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7O15
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![BU of 7o15 by Molmil](/molmil-images/mine/7o15) | ABC transporter NosDFY, nucleotide-free in lipid nanodisc, R-domain 2 | Descriptor: | MAGNESIUM ION, Probable ABC transporter ATP-binding protein NosF, Probable ABC transporter binding protein NosD, ... | Authors: | Mueller, C, Zhang, L, Lu, W, Einsle, O, Du, J. | Deposit date: | 2021-03-28 | Release date: | 2022-04-13 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY | Cite: | Molecular interplay of an assembly machinery for nitrous oxide reductase. Nature, 608, 2022
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7O16
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![BU of 7o16 by Molmil](/molmil-images/mine/7o16) | ABC transporter NosDFY, nucleotide-free in lipid nanodisc, R-domain 3 | Descriptor: | MAGNESIUM ION, Probable ABC transporter ATP-binding protein NosF, Probable ABC transporter binding protein NosD, ... | Authors: | Mueller, C, Zhang, L, Lu, W, Einsle, O, Du, J. | Deposit date: | 2021-03-28 | Release date: | 2022-04-13 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY | Cite: | Molecular interplay of an assembly machinery for nitrous oxide reductase. Nature, 608, 2022
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7O14
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![BU of 7o14 by Molmil](/molmil-images/mine/7o14) | ABC transporter NosDFY, nucleotide-free in lipid nanodisc, R-domain 1 | Descriptor: | MAGNESIUM ION, Probable ABC transporter ATP-binding protein NosF, Probable ABC transporter binding protein NosD, ... | Authors: | Mueller, C, Zhang, L, Lu, W, Einsle, O, Du, J. | Deposit date: | 2021-03-28 | Release date: | 2022-04-13 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY | Cite: | Molecular interplay of an assembly machinery for nitrous oxide reductase. Nature, 608, 2022
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7O12
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![BU of 7o12 by Molmil](/molmil-images/mine/7o12) | ABC transporter NosDFY, AMPPNP-bound in GDN | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Probable ABC transporter ATP-binding protein NosF, ... | Authors: | Mueller, C, Zhang, L, Lu, W, Einsle, O, Du, J. | Deposit date: | 2021-03-28 | Release date: | 2022-04-13 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Molecular interplay of an assembly machinery for nitrous oxide reductase. Nature, 608, 2022
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7O10
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![BU of 7o10 by Molmil](/molmil-images/mine/7o10) | ABC transporter NosDFY, nucleotide-free in GDN, R-domain 2 | Descriptor: | MAGNESIUM ION, Probable ABC transporter ATP-binding protein NosF, Probable ABC transporter binding protein NosD, ... | Authors: | Mueller, C, Zhang, L, Lu, W, Einsle, O, Du, J. | Deposit date: | 2021-03-28 | Release date: | 2022-04-13 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Molecular interplay of an assembly machinery for nitrous oxide reductase. Nature, 608, 2022
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7O17
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![BU of 7o17 by Molmil](/molmil-images/mine/7o17) | ABC transporter NosDFY E154Q, ATP-bound in lipid nanodisc | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Probable ABC transporter ATP-binding protein NosF, ... | Authors: | Mueller, C, Zhang, L, Lu, W, Einsle, O, Du, J. | Deposit date: | 2021-03-28 | Release date: | 2022-04-13 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Molecular interplay of an assembly machinery for nitrous oxide reductase. Nature, 608, 2022
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7O11
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![BU of 7o11 by Molmil](/molmil-images/mine/7o11) | ABC transporter NosDFY, nucleotide-free in GDN, R-domain 1 | Descriptor: | MAGNESIUM ION, Probable ABC transporter ATP-binding protein NosF, Probable ABC transporter binding protein NosD, ... | Authors: | Mueller, C, Zhang, L, Lu, W, Einsle, O, Du, J. | Deposit date: | 2021-03-28 | Release date: | 2022-04-13 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Molecular interplay of an assembly machinery for nitrous oxide reductase. Nature, 608, 2022
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7O4B
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![BU of 7o4b by Molmil](/molmil-images/mine/7o4b) | |
6YD1
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![BU of 6yd1 by Molmil](/molmil-images/mine/6yd1) | SaFtsZ-DFMBA | Descriptor: | 2,6-difluoro-3-methoxybenzamide, Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Fernandez-Tornero, C, Ruiz, F.M, Andreu, J.M. | Deposit date: | 2020-03-20 | Release date: | 2021-07-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Targeting the FtsZ Allosteric Binding Site with a Novel Fluorescence Polarization Screen, Cytological and Structural Approaches for Antibacterial Discovery. J.Med.Chem., 64, 2021
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6YD6
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![BU of 6yd6 by Molmil](/molmil-images/mine/6yd6) | SaFtsZ-UCM152 (comp.20) | Descriptor: | 1,2-ETHANEDIOL, 1-methylpyrrolidin-2-one, 2,6-bis(fluoranyl)-3-[[3-(trifluoromethyl)phenyl]methoxy]benzamide, ... | Authors: | Fernandez-Tornero, C, Ruiz, F.M, Andreu, J.M. | Deposit date: | 2020-03-20 | Release date: | 2021-07-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Targeting the FtsZ Allosteric Binding Site with a Novel Fluorescence Polarization Screen, Cytological and Structural Approaches for Antibacterial Discovery. J.Med.Chem., 64, 2021
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