8HGB
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8HGD
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8HGE
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![BU of 8hge by Molmil](/molmil-images/mine/8hge) | |
8HGC
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8BO1
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![BU of 8bo1 by Molmil](/molmil-images/mine/8bo1) | ExoY Nucleotidyl Cyclase domain from Vibrio nigripulchritudo MARTX toxin, bound to Latrunculin-B-ATP-Mg-actin, and 3'-DEOXYADENOSINE-5'-TRIPHOSPHATE and 2 Mg ions | Descriptor: | 3'-DEOXYADENOSINE-5'-TRIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, AZIDE ION, ... | Authors: | Teixeira-Nunes, M, Renault, L, Retailleau, P. | Deposit date: | 2022-11-14 | Release date: | 2023-09-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.501 Å) | Cite: | Functional and structural insights into the multi-step activation and catalytic mechanism of bacterial ExoY nucleotidyl cyclase toxins bound to actin-profilin. Plos Pathog., 19, 2023
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8BO4
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![BU of 8bo4 by Molmil](/molmil-images/mine/8bo4) | COAGULATION FACTOR XI PROTEASE DOMAIN IN COMPLEX WITH ACTIVE SITE INHIBITOR 1 | Descriptor: | 4-(aminomethyl)-~{N}-[(2~{S})-1-oxidanylidene-3-phenyl-1-[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]amino]propan-2-yl]cyclohexane-1-carboxamide, Coagulation factor XIa light chain, GLYCEROL | Authors: | Schaefer, M, Roehrig, S, Ackerstaff, J, Nunez, E.J, Gericke, K.M, Meier, K, Tersteegen, A, Stampfuss, J, Ellerbrock, P, Meibom, M, Lang, D, Heitmeier, S, Hillisch, A. | Deposit date: | 2022-11-14 | Release date: | 2023-09-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Design and Preclinical Characterization Program toward Asundexian (BAY 2433334), an Oral Factor XIa Inhibitor for the Prevention and Treatment of Thromboembolic Disorders. J.Med.Chem., 66, 2023
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8BO3
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![BU of 8bo3 by Molmil](/molmil-images/mine/8bo3) | COAGULATION FACTOR XI PROTEASE DOMAIN IN COMPLEX WITH ACTIVE SITE INHIBITOR Asundexian | Descriptor: | 4-[[(2~{S})-2-[4-[5-chloranyl-2-[4-(trifluoromethyl)-1,2,3-triazol-1-yl]phenyl]-5-methoxy-2-oxidanylidene-pyridin-1-yl]butanoyl]amino]-2-fluoranyl-benzamide, CITRIC ACID, Coagulation factor XIa light chain | Authors: | Schaefer, M, Roehrig, S, Ackerstaff, J, Nunez, E.J, Gericke, K.M, Meier, K, Tersteegen, A, Stampfuss, J, Ellerbrock, P, Meibom, D, Lang, D, Heitmeier, S, Hillisch, A. | Deposit date: | 2022-11-14 | Release date: | 2023-09-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.841 Å) | Cite: | Design and Preclinical Characterization Program toward Asundexian (BAY 2433334), an Oral Factor XIa Inhibitor for the Prevention and Treatment of Thromboembolic Disorders. J.Med.Chem., 66, 2023
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8BO5
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![BU of 8bo5 by Molmil](/molmil-images/mine/8bo5) | COAGULATION FACTOR XI PROTEASE DOMAIN IN COMPLEX WITH ACTIVE SITE INHIBITOR 3 | Descriptor: | 2-[4-(3-chlorophenyl)-2,5-bis(oxidanylidene)pyrrolo[3,4-b]pyridin-1-yl]-~{N}-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]ethanamide, CITRIC ACID, Coagulation factor XIa light chain, ... | Authors: | Schaefer, M, Roehrig, S, Ackerstaff, J, Nunez, E.J, Gericke, K.M, Meier, K, Tersteegen, A, Stampfuss, J, Ellerbrock, P, Meibom, D, Lang, D, Heitmeier, S, Hillisch, A. | Deposit date: | 2022-11-14 | Release date: | 2023-09-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Design and Preclinical Characterization Program toward Asundexian (BAY 2433334), an Oral Factor XIa Inhibitor for the Prevention and Treatment of Thromboembolic Disorders. J.Med.Chem., 66, 2023
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8BO6
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![BU of 8bo6 by Molmil](/molmil-images/mine/8bo6) | COAGULATION FACTOR XI PROTEASE DOMAIN IN COMPLEX WITH ACTIVE SITE INHIBITOR 2 | Descriptor: | (~{E})-~{N}-[[5-(3-azanyl-1~{H}-indazol-6-yl)-4-chloranyl-1~{H}-imidazol-2-yl]methyl]-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enamide, CITRIC ACID, Coagulation factor XIa light chain, ... | Authors: | Schaefer, M, Roehrig, S, Ackerstaff, J, Nunez, E.J, Gericke, K.M, Meier, K, Tersteegen, A, Stampfuss, J, Ellerbrock, P, Meibom, D, Lang, D, Heitmeier, S, Hillisch, A. | Deposit date: | 2022-11-14 | Release date: | 2023-09-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Design and Preclinical Characterization Program toward Asundexian (BAY 2433334), an Oral Factor XIa Inhibitor for the Prevention and Treatment of Thromboembolic Disorders. J.Med.Chem., 66, 2023
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8BO7
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![BU of 8bo7 by Molmil](/molmil-images/mine/8bo7) | COAGULATION FACTOR XI PROTEASE DOMAIN IN COMPLEX WITH ACTIVE SITE INHIBITOR 34 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-[[(2~{S})-2-[4-(5-chloranyl-2-cyano-phenyl)-3-methoxy-6-oxidanylidene-2,5-dihydropyridin-1-yl]-3-[(2~{S})-oxan-2-yl]propanoyl]amino]benzoic acid, CITRIC ACID, ... | Authors: | Schaefer, M, Roehrig, S, Ackerstaff, J, Nunez, E.J, Gericke, K.M, Meier, K, Tersteegen, A, Stampfuss, J, Ellerbrock, P, Meibom, D, Lang, D, Heitmeier, S, Hillisch, A. | Deposit date: | 2022-11-14 | Release date: | 2023-09-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Design and Preclinical Characterization Program toward Asundexian (BAY 2433334), an Oral Factor XIa Inhibitor for the Prevention and Treatment of Thromboembolic Disorders. J.Med.Chem., 66, 2023
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8BNQ
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8F5B
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![BU of 8f5b by Molmil](/molmil-images/mine/8f5b) | |
8BN5
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![BU of 8bn5 by Molmil](/molmil-images/mine/8bn5) | Crystal structure of the ligand-binding domain (LBD) of human iGluR Delta-1 (GluD1) in complex with GABA | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Heroven, C, Malinauskas, T, Aricescu, A.R. | Deposit date: | 2022-11-12 | Release date: | 2023-11-22 | Last modified: | 2024-01-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | GluD1 binds GABA and controls inhibitory plasticity. Science, 382, 2023
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8BN2
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![BU of 8bn2 by Molmil](/molmil-images/mine/8bn2) | Crystal structure of the ligand-binding domain (LBD) of human iGluR Delta-1 (GluD1) in complex with D-Serine | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Heroven, C, Malinauskas, T, Aricescu, A.R. | Deposit date: | 2022-11-11 | Release date: | 2023-11-22 | Last modified: | 2024-01-03 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | GluD1 binds GABA and controls inhibitory plasticity. Science, 382, 2023
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8F4B
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8BLR
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![BU of 8blr by Molmil](/molmil-images/mine/8blr) | G13D mutant of KRAS4b (2-169) bound to GDP with the switch-I in fully open conformation | Descriptor: | GTPase KRas, N-terminally processed, GUANOSINE-5'-DIPHOSPHATE | Authors: | Moche, M, Jungholm, O, Strandback, E, Ampah-Korsah, H, Nyman, T, Orwar, O. | Deposit date: | 2022-11-10 | Release date: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The 1.4 A crystal structure of K-Ras4A mutant G13D in open conformation To Be Published
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8BMS
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![BU of 8bms by Molmil](/molmil-images/mine/8bms) | Cryo-EM structure of the mutant solitary ECF module 2EQ in MSP2N2 lipid nanodiscs in the ATPase closed and ATP-bound conformation | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Energy-coupling factor transporter ATP-binding protein EcfA1, Energy-coupling factor transporter ATP-binding protein EcfA2, ... | Authors: | Thangaratnarajah, C, Rheinberger, J, Paulino, C, Slotboom, D.J. | Deposit date: | 2022-11-10 | Release date: | 2023-08-02 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Expulsion mechanism of the substrate-translocating subunit in ECF transporters. Nat Commun, 14, 2023
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8BMQ
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![BU of 8bmq by Molmil](/molmil-images/mine/8bmq) | Cryo-EM structure of the folate-specific ECF transporter complex in MSP2N2 lipid nanodiscs bound to AMP-PNP | Descriptor: | Energy-coupling factor transporter ATP-binding protein EcfA1, Energy-coupling factor transporter ATP-binding protein EcfA2, Energy-coupling factor transporter transmembrane protein EcfT, ... | Authors: | Thangaratnarajah, C, Rheinberger, J, Paulino, C, Slotboom, D.J. | Deposit date: | 2022-11-10 | Release date: | 2023-08-02 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Expulsion mechanism of the substrate-translocating subunit in ECF transporters. Nat Commun, 14, 2023
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8BMR
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![BU of 8bmr by Molmil](/molmil-images/mine/8bmr) | Cryo-EM structure of the wild-type solitary ECF module in MSP2N2 lipid nanodiscs in the ATPase open and nucleotide-free conformation | Descriptor: | Energy-coupling factor transporter ATP-binding protein EcfA1, Energy-coupling factor transporter ATP-binding protein EcfA2, Energy-coupling factor transporter transmembrane protein EcfT | Authors: | Thangaratnarajah, C, Rheinberger, J, Paulino, C, Slotboom, D.J. | Deposit date: | 2022-11-10 | Release date: | 2023-08-02 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Expulsion mechanism of the substrate-translocating subunit in ECF transporters. Nat Commun, 14, 2023
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8BMP
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![BU of 8bmp by Molmil](/molmil-images/mine/8bmp) | Cryo-EM structure of the folate-specific ECF transporter complex in MSP2N2 lipid nanodiscs bound to ATP and ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Energy-coupling factor transporter ATP-binding protein EcfA1, ... | Authors: | Thangaratnarajah, C, Rheinberger, J, Paulino, C, Slotboom, D.J. | Deposit date: | 2022-11-10 | Release date: | 2023-08-02 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Expulsion mechanism of the substrate-translocating subunit in ECF transporters. Nat Commun, 14, 2023
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8F36
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8F37
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![BU of 8f37 by Molmil](/molmil-images/mine/8f37) | |
8HF0
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![BU of 8hf0 by Molmil](/molmil-images/mine/8hf0) | DmDcr-2/R2D2/LoqsPD with 50bp-dsRNA in Dimer state | Descriptor: | Dicer-2, isoform A, LD06392p, ... | Authors: | Su, S, Wang, J, Wang, H.W, Ma, J. | Deposit date: | 2022-11-09 | Release date: | 2023-09-06 | Method: | ELECTRON MICROSCOPY (3.72 Å) | Cite: | Structural mechanism of R2D2 and Loqs-PD synergistic modulation on DmDcr-2 oligomers. Nat Commun, 14, 2023
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8HF1
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![BU of 8hf1 by Molmil](/molmil-images/mine/8hf1) | DmDcr-2/R2D2/LoqsPD with 19bp-dsRNA in Trimer state | Descriptor: | Dicer-2, isoform A, LD06392p, ... | Authors: | Su, S, Wang, J, Ma, J. | Deposit date: | 2022-11-09 | Release date: | 2023-09-06 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structural mechanism of R2D2 and Loqs-PD synergistic modulation on DmDcr-2 oligomers. Nat Commun, 14, 2023
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8HF5
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![BU of 8hf5 by Molmil](/molmil-images/mine/8hf5) | |