5RDA
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![BU of 5rda by Molmil](/molmil-images/mine/5rda) | PanDDA analysis group deposition -- Endothiapepsin ground state model 32 | Descriptor: | Endothiapepsin | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | Deposit date: | 2020-03-24 | Release date: | 2020-06-03 | Last modified: | 2020-06-17 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5RDQ
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![BU of 5rdq by Molmil](/molmil-images/mine/5rdq) | PanDDA analysis group deposition -- Endothiapepsin ground state model 42 | Descriptor: | Endothiapepsin | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | Deposit date: | 2020-03-24 | Release date: | 2020-06-03 | Last modified: | 2020-06-17 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5RBS
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![BU of 5rbs by Molmil](/molmil-images/mine/5rbs) | PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library C08a | Descriptor: | (3S)-3-hydroxy-2-methyl-2,3-dihydro-1H-isoindol-1-one, ACETATE ION, DIMETHYL SULFOXIDE, ... | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | Deposit date: | 2020-03-24 | Release date: | 2020-06-03 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5RC8
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![BU of 5rc8 by Molmil](/molmil-images/mine/5rc8) | PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library G02a | Descriptor: | ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ... | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | Deposit date: | 2020-03-24 | Release date: | 2020-06-03 | Last modified: | 2020-06-17 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5RCO
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![BU of 5rco by Molmil](/molmil-images/mine/5rco) | PanDDA analysis group deposition -- Endothiapepsin ground state model 09 | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ... | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | Deposit date: | 2020-03-24 | Release date: | 2020-06-03 | Last modified: | 2020-06-17 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5RD5
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![BU of 5rd5 by Molmil](/molmil-images/mine/5rd5) | PanDDA analysis group deposition -- Endothiapepsin ground state model 27 | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ... | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | Deposit date: | 2020-03-24 | Release date: | 2020-06-03 | Last modified: | 2020-06-17 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5RDM
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![BU of 5rdm by Molmil](/molmil-images/mine/5rdm) | PanDDA analysis group deposition -- Endothiapepsin ground state model 46 | Descriptor: | Endothiapepsin | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | Deposit date: | 2020-03-24 | Release date: | 2020-06-03 | Last modified: | 2020-06-17 | Method: | X-RAY DIFFRACTION (1.01 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5RE3
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![BU of 5re3 by Molmil](/molmil-images/mine/5re3) | PanDDA analysis group deposition -- Endothiapepsin ground state model 12 | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ... | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | Deposit date: | 2020-03-24 | Release date: | 2020-06-03 | Last modified: | 2020-06-17 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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7BPR
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![BU of 7bpr by Molmil](/molmil-images/mine/7bpr) | Crystal structure of human TEX101 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, PLATINUM (II) ION, Testis-expressed protein 101 | Authors: | Masutani, M, Sakurai, S, Shimizu, T, Ohto, U. | Deposit date: | 2020-03-23 | Release date: | 2020-07-15 | Last modified: | 2020-12-23 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structure of TEX101, a glycoprotein essential for male fertility, reveals the presence of tandemly arranged Ly6/uPAR domains. Febs Lett., 594, 2020
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7BPS
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![BU of 7bps by Molmil](/molmil-images/mine/7bps) | Crystal structure of mouse TEX101 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Testis-expressed protein 101, ... | Authors: | Masutani, M, Sakurai, S, Shimizu, T, Ohto, U. | Deposit date: | 2020-03-23 | Release date: | 2020-07-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Crystal structure of TEX101, a glycoprotein essential for male fertility, reveals the presence of tandemly arranged Ly6/uPAR domains. Febs Lett., 594, 2020
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7BPB
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![BU of 7bpb by Molmil](/molmil-images/mine/7bpb) | Human AAA+ ATPase VCP mutant - T76E, AMP-PNP bound form, Conformation I | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Transitional endoplasmic reticulum ATPase | Authors: | Yang, C, Zhang, H. | Deposit date: | 2020-03-22 | Release date: | 2021-03-31 | Last modified: | 2022-04-27 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | The phosphorylation and dephosphorylation switch of VCP/p97 regulates the architecture of centrosome and spindle. Cell Death Differ., 2022
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6W9E
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![BU of 6w9e by Molmil](/molmil-images/mine/6w9e) | Crystal Structure of Human CDK9/cyclinT1 in complex with MC180295 | Descriptor: | (4-amino-2-{[(1R,2R,4S)-bicyclo[2.2.1]heptan-2-yl]amino}-1,3-thiazol-5-yl)(2-nitrophenyl)methanone, (4-amino-2-{[(1S,2S,4R)-bicyclo[2.2.1]heptan-2-yl]amino}-1,3-thiazol-5-yl)(2-nitrophenyl)methanone, Cyclin-T1, ... | Authors: | Zhang, P, Wu, J. | Deposit date: | 2020-03-22 | Release date: | 2021-09-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Comparative Modeling of CDK9 Inhibitors to Explore Selectivity and Structure-Activity Relationships To Be Published
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6YDW
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![BU of 6ydw by Molmil](/molmil-images/mine/6ydw) | |
6YDY
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![BU of 6ydy by Molmil](/molmil-images/mine/6ydy) | |
7BP8
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![BU of 7bp8 by Molmil](/molmil-images/mine/7bp8) | Human AAA+ ATPase VCP mutant - T76A, ADP-bound form | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase | Authors: | Yang, C, Zhang, H. | Deposit date: | 2020-03-21 | Release date: | 2021-03-31 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | The phosphorylation and dephosphorylation switch of VCP/p97 regulates the architecture of centrosome and spindle. Cell Death Differ., 2022
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7BP9
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![BU of 7bp9 by Molmil](/molmil-images/mine/7bp9) | Human AAA+ ATPase VCP mutant - T76E, ADP-bound form | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase | Authors: | Yang, C, Zhang, H. | Deposit date: | 2020-03-21 | Release date: | 2021-03-31 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | The phosphorylation and dephosphorylation switch of VCP/p97 regulates the architecture of centrosome and spindle. Cell Death Differ., 2022
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7BPA
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![BU of 7bpa by Molmil](/molmil-images/mine/7bpa) | Human AAA+ ATPase VCP mutant - T76A, AMP-PNP-bound form, Conformation I | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Transitional endoplasmic reticulum ATPase | Authors: | Yang, C, Zhang, H. | Deposit date: | 2020-03-21 | Release date: | 2021-03-31 | Last modified: | 2022-04-27 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | The phosphorylation and dephosphorylation switch of VCP/p97 regulates the architecture of centrosome and spindle. Cell Death Differ., 2022
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6YDP
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![BU of 6ydp by Molmil](/molmil-images/mine/6ydp) | |
6W8E
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![BU of 6w8e by Molmil](/molmil-images/mine/6w8e) | |
6YD7
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![BU of 6yd7 by Molmil](/molmil-images/mine/6yd7) | |
6YD4
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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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6YD5
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![BU of 6yd5 by Molmil](/molmil-images/mine/6yd5) | SaFtsZ-UCM151 (comp. 18) | Descriptor: | 1,2-ETHANEDIOL, 1-methylpyrrolidin-2-one, 3-[(3-chlorophenyl)methoxy]-2,6-bis(fluoranyl)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 (1.55 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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6YD3
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![BU of 6yd3 by Molmil](/molmil-images/mine/6yd3) | |