6ZUG
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![BU of 6zug by Molmil](/molmil-images/mine/6zug) | Crystal Structure of Thrombin in complex with compound10 | Descriptor: | 2-[(3-chlorophenyl)methylamino]-7-methoxy-~{N}-[[(3~{S})-oxolan-3-yl]methyl]-~{N}-propyl-1,3-benzoxazole-5-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin-2, ... | Authors: | Schafer, M. | Deposit date: | 2020-07-22 | Release date: | 2020-08-26 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Design, Synthesis, and Pharmacological Characterization of a Neutral, Non-Prodrug Thrombin Inhibitor with Good Oral Pharmacokinetics. J.Med.Chem., 63, 2020
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6ZU9
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![BU of 6zu9 by Molmil](/molmil-images/mine/6zu9) | Structure of a yeast ABCE1-bound 48S initiation complex | Descriptor: | 18S ribosomal RNA, 40S ribosomal protein S0-A, 40S ribosomal protein S1-A, ... | Authors: | Kratzat, H, Mackens-Kiani, T, Cheng, J, Berninghausen, O, Becker, T, Beckmann, R. | Deposit date: | 2020-07-22 | Release date: | 2020-10-28 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (6.2 Å) | Cite: | A structural inventory of native ribosomal ABCE1-43S pre-initiation complexes. Embo J., 40, 2021
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6ZUH
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![BU of 6zuh by Molmil](/molmil-images/mine/6zuh) | Crystal Structure of Thrombin in complex with compound17 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, Hirudin-2, ... | Authors: | Schafer, M. | Deposit date: | 2020-07-22 | Release date: | 2020-08-26 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Design, Synthesis, and Pharmacological Characterization of a Neutral, Non-Prodrug Thrombin Inhibitor with Good Oral Pharmacokinetics. J.Med.Chem., 63, 2020
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7JHP
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![BU of 7jhp by Molmil](/molmil-images/mine/7jhp) | |
7CLH
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![BU of 7clh by Molmil](/molmil-images/mine/7clh) | Crystal structure of TTK kinase domain in complex with compound 19 | Descriptor: | 2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK | Authors: | Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Son, J.B, Ko, E.H, Choi, H.G, Kim, N.D. | Deposit date: | 2020-07-21 | Release date: | 2021-05-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor. J.Med.Chem., 64, 2021
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7JH0
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![BU of 7jh0 by Molmil](/molmil-images/mine/7jh0) | Crystallographic structure of glyceraldehyde-3-phosphate dehydrogenase from Schistosoma mansoni | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Boreiko, S, Silva, M, Iulek, J. | Deposit date: | 2020-07-20 | Release date: | 2021-02-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Structure determination and analyses of the GAPDH from the parasite Schistosoma mansoni, the first one from a platyhelminth. Biochimie, 184, 2021
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7JGZ
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![BU of 7jgz by Molmil](/molmil-images/mine/7jgz) | Protocadherin gammaC4 EC1-4 crystal structure | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Goodman, K.M, Mannepalli, S, Honig, B, Shapiro, L. | Deposit date: | 2020-07-20 | Release date: | 2021-07-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.51 Å) | Cite: | How clustered protocadherin binding specificity is tuned for neuronal self-/nonself-recognition. Elife, 11, 2022
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7JHG
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![BU of 7jhg by Molmil](/molmil-images/mine/7jhg) | Cryo-EM structure of ATP-bound fully inactive AMPK in complex with Dorsomorphin (Compound C) and Fab-nanobody | Descriptor: | 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-2, 5'-AMP-activated protein kinase subunit gamma-1, ... | Authors: | Yan, Y, Murkherjee, S, Zhou, X.E, Xu, T.H, Xu, H.E, Kossiakoff, A.A, Melcher, K. | Deposit date: | 2020-07-20 | Release date: | 2021-07-21 | Last modified: | 2021-12-15 | Method: | ELECTRON MICROSCOPY (3.47 Å) | Cite: | Structure of an AMPK complex in an inactive, ATP-bound state. Science, 373, 2021
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7JHH
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![BU of 7jhh by Molmil](/molmil-images/mine/7jhh) | Cryo-EM structure of ATP-bound fully inactive AMPK in complex with Fab and nanobody | Descriptor: | 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-2, 5'-AMP-activated protein kinase subunit gamma-1, ... | Authors: | Yan, Y, Murkherjee, S, Zhou, X.E, Xu, T.H, Xu, H.E, Kossiakoff, A.A, Melcher, K. | Deposit date: | 2020-07-20 | Release date: | 2021-07-21 | Last modified: | 2021-12-15 | Method: | ELECTRON MICROSCOPY (3.92 Å) | Cite: | Structure of an AMPK complex in an inactive, ATP-bound state. Science, 373, 2021
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6ZTR
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![BU of 6ztr by Molmil](/molmil-images/mine/6ztr) | Crystal Structure of the anti-human P-Cadherin Fab CQY684 in complex with human P-Cadherin(108-324) | Descriptor: | CALCIUM ION, CQY684 Fab heavy-chain, CQY684 Fab light-chain, ... | Authors: | Rondeau, J.M, Lehmann, S. | Deposit date: | 2020-07-20 | Release date: | 2021-05-05 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | PCA062, a P-cadherin Targeting Antibody-Drug Conjugate, Displays Potent Antitumor Activity Against P-cadherin-expressing Malignancies. Mol.Cancer Ther., 20, 2021
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6ZTK
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![BU of 6ztk by Molmil](/molmil-images/mine/6ztk) | Crystal structure of Mialostatin, a gut cystatin from the hard tick Ixodes ricinus | Descriptor: | FRAGMENT OF TRITON X-100, Mialostatin, SULFATE ION | Authors: | Busa, M, Rezacova, P, Mares, M. | Deposit date: | 2020-07-20 | Release date: | 2021-06-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Mialostatin, a Novel Midgut Cystatin from Ixodes ricinus Ticks: Crystal Structure and Regulation of Host Blood Digestion. Int J Mol Sci, 22, 2021
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7CLD
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![BU of 7cld by Molmil](/molmil-images/mine/7cld) | Crystal structure of T2R-TTL-Cevipabulin complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-[2,6-bis(fluoranyl)-4-[3-(methylamino)propoxy]phenyl]-5-chloranyl-N-[(2S)-1,1,1-tris(fluoranyl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine, CALCIUM ION, ... | Authors: | Chen, L.J, Chen, Q, Yu, Y, Yang, J.H. | Deposit date: | 2020-07-20 | Release date: | 2021-07-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.611 Å) | Cite: | Cevipabulin-tubulin complex reveals a novel agent binding site on alpha-tubulin with tubulin degradation effect. Sci Adv, 7, 2021
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7CL7
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7CL9
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7CL8
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![BU of 7cl8 by Molmil](/molmil-images/mine/7cl8) | |
7JH7
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![BU of 7jh7 by Molmil](/molmil-images/mine/7jh7) | cardiac actomyosin complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha cardiac muscle 1, ... | Authors: | Galkin, V.E, Schroeder, G.F. | Deposit date: | 2020-07-20 | Release date: | 2020-10-28 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | High-Resolution Cryo-EM Structure of the Cardiac Actomyosin Complex. Structure, 29, 2021
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7CKW
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![BU of 7ckw by Molmil](/molmil-images/mine/7ckw) | Cryo-EM structure of Fenoldopam bound dopamine receptor DRD1-Gs signaling complex | Descriptor: | (1R)-6-chloranyl-1-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol, CHOLESTEROL, D(1A) dopamine receptor, ... | Authors: | Yan, W, Shao, W. | Deposit date: | 2020-07-20 | Release date: | 2021-03-03 | Method: | ELECTRON MICROSCOPY (3.22 Å) | Cite: | Ligand recognition and allosteric regulation of DRD1-Gs signaling complexes. Cell, 184, 2021
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7CKY
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![BU of 7cky by Molmil](/molmil-images/mine/7cky) | Cryo-EM structure of PW0464 bound dopamine receptor DRD1-Gs signaling complex | Descriptor: | 6-[4-[3-[bis(fluoranyl)methoxy]pyridin-2-yl]oxy-2-methyl-phenyl]-1,5-dimethyl-pyrimidine-2,4-dione, CHOLESTEROL, D(1A) dopamine receptor, ... | Authors: | Yan, W, Shao, Z. | Deposit date: | 2020-07-20 | Release date: | 2021-03-03 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Ligand recognition and allosteric regulation of DRD1-Gs signaling complexes. Cell, 184, 2021
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7CKZ
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![BU of 7ckz by Molmil](/molmil-images/mine/7ckz) | Cryo-EM structure of Dopamine and LY3154207 bound dopamine receptor DRD1-Gs signaling complex | Descriptor: | 2-[2,6-bis(chloranyl)phenyl]-1-[(1S,3R)-3-(hydroxymethyl)-1-methyl-5-(3-methyl-3-oxidanyl-butyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone, CHOLESTEROL, D(1A) dopamine receptor, ... | Authors: | Yan, W, Shao, Z. | Deposit date: | 2020-07-20 | Release date: | 2021-03-03 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Ligand recognition and allosteric regulation of DRD1-Gs signaling complexes. Cell, 184, 2021
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7CKX
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![BU of 7ckx by Molmil](/molmil-images/mine/7ckx) | Cryo-EM structure of A77636 bound dopamine receptor DRD1-Gs signaling complex | Descriptor: | (1R,3S)-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1H-isochromene-5,6-diol, CHOLESTEROL, D(1A) dopamine receptor, ... | Authors: | Yan, W, Shao, Z. | Deposit date: | 2020-07-20 | Release date: | 2021-03-03 | Method: | ELECTRON MICROSCOPY (3.54 Å) | Cite: | Ligand recognition and allosteric regulation of DRD1-Gs signaling complexes. Cell, 184, 2021
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7JGR
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![BU of 7jgr by Molmil](/molmil-images/mine/7jgr) | Structure of Drosophila ORC bound to DNA (84 bp) and Cdc6 | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, AT22044p1, Cell division control protein, ... | Authors: | Schmidt, J.M, Bleichert, F. | Deposit date: | 2020-07-19 | Release date: | 2020-09-09 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Structural mechanism for replication origin binding and remodeling by a metazoan origin recognition complex and its co-loader Cdc6. Nat Commun, 11, 2020
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7JGT
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![BU of 7jgt by Molmil](/molmil-images/mine/7jgt) | Crystal Structure of FN3tt | Descriptor: | Fibronectin type-III domain-containing protein | Authors: | Luo, J, Malia, T.J. | Deposit date: | 2020-07-19 | Release date: | 2021-07-21 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Surface salt bridges contribute to the extreme thermal stability of an FN3-like domain from a thermophilic bacterium. Proteins, 90, 2022
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7JGU
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![BU of 7jgu by Molmil](/molmil-images/mine/7jgu) | Structure of FN3tt mut | Descriptor: | Fibronectin type-III domain-containing protein, PENTAETHYLENE GLYCOL | Authors: | Luo, J, Boucher, L.E. | Deposit date: | 2020-07-19 | Release date: | 2021-07-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Surface salt bridges contribute to the extreme thermal stability of an FN3-like domain from a thermophilic bacterium. Proteins, 90, 2022
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7JGS
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7JG9
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![BU of 7jg9 by Molmil](/molmil-images/mine/7jg9) | Cryo-EM structure of bedaquiline-saturated mycobacterium smegmatis ATP synthase rotational state 2 (backbone model) | Descriptor: | ATP synthase epsilon chain, ATP synthase gamma chain, ATP synthase subunit a, ... | Authors: | Guo, H, Courbon, G.M, Rubinstein, J.L. | Deposit date: | 2020-07-18 | Release date: | 2020-08-19 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structure of mycobacterial ATP synthase bound to the tuberculosis drug bedaquiline. Nature, 589, 2021
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