8HJE
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![BU of 8hje by Molmil](/molmil-images/mine/8hje) | Vismodegib binds to the catalytical domain of human Ubiquitin-Specific Protease 28 | Descriptor: | 2-chloranyl-~{N}-(4-chloranyl-3-pyridin-2-yl-phenyl)-4-methylsulfonyl-benzamide, Ubiquitin carboxyl-terminal hydrolase 28 | Authors: | Shi, L, Wang, H, Xu, Z, Xiong, B, Zhang, N. | Deposit date: | 2022-11-23 | Release date: | 2023-05-03 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structure-based discovery of potent USP28 inhibitors derived from Vismodegib. Eur.J.Med.Chem., 254, 2023
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6ZOV
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![BU of 6zov by Molmil](/molmil-images/mine/6zov) | ENTEROPEPTIDASE IN COMPLEX WITH COMPOUND 6 | Descriptor: | 1,2-ETHANEDIOL, 4-carbamimidamidobenzoic acid, Enteropeptidase, ... | Authors: | Cummings, M.D. | Deposit date: | 2020-07-07 | Release date: | 2020-10-21 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Targeting Enteropeptidase with Reversible Covalent Inhibitors To Achieve Metabolic Benefits. J.Pharmacol.Exp.Ther., 375, 2020
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7V8Y
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![BU of 7v8y by Molmil](/molmil-images/mine/7v8y) | Crystal structure of mouse CRY2 in complex with SHP1703 compound | Descriptor: | 1-[(2R)-3-[3,6-bis(fluoranyl)carbazol-9-yl]-2-oxidanyl-propyl]imidazolidin-2-one, Cryptochrome-2 | Authors: | Miller, S.A, Hirota, T. | Deposit date: | 2021-08-23 | Release date: | 2022-08-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | CRY2 isoform selectivity of a circadian clock modulator with antiglioblastoma efficacy. Proc.Natl.Acad.Sci.USA, 119, 2022
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7V8Z
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![BU of 7v8z by Molmil](/molmil-images/mine/7v8z) | Crystal structure of mouse CRY2 in complex with SHP656 compound | Descriptor: | 1-[(2R)-3-[3,6-bis(fluoranyl)carbazol-9-yl]-2-oxidanyl-propyl]imidazolidin-2-one, Cryptochrome-2 | Authors: | Miller, S.A, Hirota, T. | Deposit date: | 2021-08-23 | Release date: | 2022-08-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | CRY2 isoform selectivity of a circadian clock modulator with antiglioblastoma efficacy. Proc.Natl.Acad.Sci.USA, 119, 2022
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5ML1
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![BU of 5ml1 by Molmil](/molmil-images/mine/5ml1) | NMR Structure of the Littorina littorea metallothionein, a snail MT folding into three distinct domains | Descriptor: | CADMIUM ION, Putative metallothionein | Authors: | Baumann, C, Beil, A, Jurt, S, Zerbe, O. | Deposit date: | 2016-12-06 | Release date: | 2017-04-12 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Structural Adaptation of a Protein to Increased Metal Stress: NMR Structure of a Marine Snail Metallothionein with an Additional Domain. Angew. Chem. Int. Ed. Engl., 56, 2017
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5MN3
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![BU of 5mn3 by Molmil](/molmil-images/mine/5mn3) | |
8IVW
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![BU of 8ivw by Molmil](/molmil-images/mine/8ivw) | Crystal structure of NRP2 in complex with aNRP2-10 Fab fragment | Descriptor: | Heavy chian of antibody 10V8 Fab fragment, Light chain of antibody 10V8 Fab fragment, Neuropilin-2 | Authors: | Geng, Y, Zhai, L. | Deposit date: | 2023-03-29 | Release date: | 2023-07-12 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3.205 Å) | Cite: | Inhibition of VEGF binding to neuropilin-2 enhances chemosensitivity and inhibits metastasis in triple-negative breast cancer. Sci Transl Med, 15, 2023
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8IVX
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![BU of 8ivx by Molmil](/molmil-images/mine/8ivx) | Crystal structure of NRP2 in complex with aNRP2-14 Fab fragment | Descriptor: | 1,2-ETHANEDIOL, Heavy chain of antibody 14V4 Fab fragment, Light chain of antibody 14V4 Fab fragment, ... | Authors: | Geng, Y, Zhai, L. | Deposit date: | 2023-03-29 | Release date: | 2023-07-12 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Inhibition of VEGF binding to neuropilin-2 enhances chemosensitivity and inhibits metastasis in triple-negative breast cancer. Sci Transl Med, 15, 2023
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5VIM
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5YQZ
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![BU of 5yqz by Molmil](/molmil-images/mine/5yqz) | Structure of the glucagon receptor in complex with a glucagon analogue | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glucagon analogue, ... | Authors: | Zhang, H, Qiao, A, Yang, L, VAN EPS, N, Frederiksen, K, Yang, D, Dai, A, Cai, X, Zhang, H, Yi, C, Can, C, He, L, Yang, H, Lau, J, Ernst, O, Hanson, M, Stevens, R, Wang, M, Seedtz-Runge, S, Jiang, H, Zhao, Q, Wu, B. | Deposit date: | 2017-11-08 | Release date: | 2018-01-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure of the glucagon receptor in complex with a glucagon analogue. Nature, 553, 2018
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5VI7
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8J17
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![BU of 8j17 by Molmil](/molmil-images/mine/8j17) | Crystal structure of IsPETase variant | Descriptor: | Poly(ethylene terephthalate) hydrolase | Authors: | Yin, Q.D, Wang, Y.X. | Deposit date: | 2023-04-12 | Release date: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Efficient polyethylene terephthalate biodegradation by an engineered Ideonella sakaiensis PETase with a fixed substrate-binding W156 residue Green Chem, 2013
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2QDY
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![BU of 2qdy by Molmil](/molmil-images/mine/2qdy) | Crystal Structure of Fe-type NHase from Rhodococcus erythropolis AJ270 | Descriptor: | 2-METHYLPROPAN-1-AMINE, CHLORIDE ION, FE (III) ION, ... | Authors: | Song, L, Shi, J, Xue, Z, Wang, M.-X, Qian, S. | Deposit date: | 2007-06-22 | Release date: | 2008-05-13 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | High resolution X-ray molecular structure of the nitrile hydratase from Rhodococcus erythropolis AJ270 reveals posttranslational oxidation of two cysteines into sulfinic acids and a novel biocatalytic nitrile hydration mechanism Biochem.Biophys.Res.Commun., 362, 2007
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6RQP
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![BU of 6rqp by Molmil](/molmil-images/mine/6rqp) | Steady-state-SMX dark state structure of bacteriorhodopsin | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, ... | Authors: | Weinert, T, Skopintsev, P, James, D, Kekilli, D, Furrer, A, Bruenle, S, Mous, S, Nogly, P, Standfuss, J. | Deposit date: | 2019-05-16 | Release date: | 2019-07-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Proton uptake mechanism in bacteriorhodopsin captured by serial synchrotron crystallography. Science, 365, 2019
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5PGU
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5PGX
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8H8C
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![BU of 8h8c by Molmil](/molmil-images/mine/8h8c) | Type VI secretion system effector RhsP in its post-autoproteolysis and dimeric form | Descriptor: | C-terminal peptide from Putative Rhs-family protein, Putative Rhs-family protein | Authors: | Tang, L, Dong, S.Q, Rasheed, N, Wu, H.W, Zhou, N.K, Li, H.D, Wang, M.L, Zheng, J, He, J, Chao, W.C.H. | Deposit date: | 2022-10-22 | Release date: | 2023-01-18 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.36 Å) | Cite: | Vibrio parahaemolyticus prey targeting requires autoproteolysis-triggered dimerization of the type VI secretion system effector RhsP. Cell Rep, 41, 2022
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8H8B
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![BU of 8h8b by Molmil](/molmil-images/mine/8h8b) | Type VI secretion system effector RhsP in its pre-autoproteolysis and monomeric form | Descriptor: | Putative Rhs-family protein | Authors: | Tang, L, Dong, S.Q, Rasheed, N, Wu, H.W, Zhou, N.K, Li, H.D, Wang, M.L, Zheng, J, He, J, Chao, W.C.H. | Deposit date: | 2022-10-22 | Release date: | 2023-01-18 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.16 Å) | Cite: | Vibrio parahaemolyticus prey targeting requires autoproteolysis-triggered dimerization of the type VI secretion system effector RhsP. Cell Rep, 41, 2022
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6RPH
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![BU of 6rph by Molmil](/molmil-images/mine/6rph) | TR-SMX open state structure (10-15ms) of bacteriorhodopsin | Descriptor: | Bacteriorhodopsin, RETINAL | Authors: | Weinert, T, Skopintsev, P, James, D, Kekilli, D, Furrer, A, Bruenle, S, Mous, S, Nogly, P, Standfuss, J. | Deposit date: | 2019-05-14 | Release date: | 2019-07-17 | Last modified: | 2019-07-24 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Proton uptake mechanism in bacteriorhodopsin captured by serial synchrotron crystallography. Science, 365, 2019
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2R6W
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![BU of 2r6w by Molmil](/molmil-images/mine/2r6w) | Estrogen receptor alpha ligand-binding domain complexed to a SERM | Descriptor: | Estrogen receptor, [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl]{4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl}methanone | Authors: | Wang, Y. | Deposit date: | 2007-09-06 | Release date: | 2008-04-08 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Prediction of the tissue-specificity of selective estrogen receptor modulators by using a single biochemical method. Proc.Natl.Acad.Sci.Usa, 105, 2008
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8H8A
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![BU of 8h8a by Molmil](/molmil-images/mine/8h8a) | Type VI secretion system effector RhsP in its post-autoproteolysis and monomeric form | Descriptor: | C-terminal peptide from Putative Rhs-family protein, Putative Rhs-family protein | Authors: | Tang, L, Dong, S.Q, Rasheed, N, Wu, H.W, Zhou, N.K, Li, H.D, Wang, M.L, Zheng, J, He, J, Chao, W.C.H. | Deposit date: | 2022-10-22 | Release date: | 2023-01-18 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.25 Å) | Cite: | Vibrio parahaemolyticus prey targeting requires autoproteolysis-triggered dimerization of the type VI secretion system effector RhsP. Cell Rep, 41, 2022
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5XKI
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5NQT
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![BU of 5nqt by Molmil](/molmil-images/mine/5nqt) | Tubulin Darpin room-temperature structure determined by serial millisecond crystallography | Descriptor: | DESIGNED ANKYRIN REPEAT PROTEIN (DARPIN) D1, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Weinert, T, Olieric, N, James, D, Gashi, D, Nogly, P, Jaeger, K, Steinmetz, M.O, Standfuss, J. | Deposit date: | 2017-04-21 | Release date: | 2017-09-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons. Nat Commun, 8, 2017
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5XTO
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5XTR
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![BU of 5xtr by Molmil](/molmil-images/mine/5xtr) | |