4EN2
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5HH5
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![BU of 5hh5 by Molmil](/molmil-images/mine/5hh5) | |
4EMZ
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![BU of 4emz by Molmil](/molmil-images/mine/4emz) | |
6YYN
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![BU of 6yyn by Molmil](/molmil-images/mine/6yyn) | Structure of Cathepsin S in complex with Compound 14 | Descriptor: | CITRATE ANION, Cathepsin S, SULFATE ION, ... | Authors: | Wagener, M, Schade, M, Merla, B, Hars, U, Kueckelhaus, S.Q. | Deposit date: | 2020-05-05 | Release date: | 2021-05-12 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Highly Selective Sub-Nanomolar Cathepsin S Inhibitors by Merging Fragment Binders with Nitrile Inhibitors. J.Med.Chem., 63, 2020
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6YYO
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![BU of 6yyo by Molmil](/molmil-images/mine/6yyo) | Structure of Cathepsin S in complex with Compound 1 | Descriptor: | 1,2-ETHANEDIOL, 6-(4-methylsulfonylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine, CITRATE ANION, ... | Authors: | Wagener, M, Schade, M, Merla, B, Hars, U, Kueckelhaus, S.Q. | Deposit date: | 2020-05-05 | Release date: | 2021-05-12 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Highly Selective Sub-Nanomolar Cathepsin S Inhibitors by Merging Fragment Binders with Nitrile Inhibitors. J.Med.Chem., 63, 2020
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6YYP
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![BU of 6yyp by Molmil](/molmil-images/mine/6yyp) | Structure of Cathepsin S in complex with Compound 2 | Descriptor: | 1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-amine, ACETATE ION, Cathepsin S, ... | Authors: | Wagener, M, Schade, M, Merla, B, Hars, U, Kueckelhaus, S.Q. | Deposit date: | 2020-05-05 | Release date: | 2021-05-12 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Highly Selective Sub-Nanomolar Cathepsin S Inhibitors by Merging Fragment Binders with Nitrile Inhibitors. J.Med.Chem., 63, 2020
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6YYQ
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![BU of 6yyq by Molmil](/molmil-images/mine/6yyq) | Structure of Cathepsin S in complex with Compound 3 | Descriptor: | (6~{R})-2-phenyl-5,6,7,8-tetrahydroquinazolin-6-amine, Cathepsin S | Authors: | Wagener, M, Schade, M, Merla, B, Hars, U, Kueckelhaus, S.Q. | Deposit date: | 2020-05-05 | Release date: | 2021-05-12 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Highly Selective Sub-Nanomolar Cathepsin S Inhibitors by Merging Fragment Binders with Nitrile Inhibitors. J.Med.Chem., 63, 2020
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6YYR
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![BU of 6yyr by Molmil](/molmil-images/mine/6yyr) | Structure of Cathepsin S in complex with Compound 20b | Descriptor: | (2~{R})-~{N}-(2-azanylideneethyl)-2-[2-(3-methyl-1,2-oxazol-5-yl)ethanoylamino]-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-propanamide, 1,2-ETHANEDIOL, CITRATE ANION, ... | Authors: | Wagener, M, Schade, M, Merla, B, Hars, U, Kueckelhaus, S.Q. | Deposit date: | 2020-05-05 | Release date: | 2021-05-12 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Highly Selective Sub-Nanomolar Cathepsin S Inhibitors by Merging Fragment Binders with Nitrile Inhibitors. J.Med.Chem., 63, 2020
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4ZPL
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![BU of 4zpl by Molmil](/molmil-images/mine/4zpl) | Crystal Structure of Protocadherin Beta 1 EC1-3 | Descriptor: | CALCIUM ION, Protein Pcdhb1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Goodman, K.M, Bahna, F, Shapiro, L. | Deposit date: | 2015-05-08 | Release date: | 2015-10-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Molecular Logic of Neuronal Self-Recognition through Protocadherin Domain Interactions. Cell, 163, 2015
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4ZPN
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![BU of 4zpn by Molmil](/molmil-images/mine/4zpn) | Crystal Structure of Protocadherin Gamma C5 EC1-3 with extended N-terminus | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, MCG133388, ... | Authors: | Goodman, K.M, Wolcott, H.N, Bahna, F, Shapiro, L. | Deposit date: | 2015-05-08 | Release date: | 2015-10-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Molecular Logic of Neuronal Self-Recognition through Protocadherin Domain Interactions. Cell, 163, 2015
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1GFZ
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![BU of 1gfz by Molmil](/molmil-images/mine/1gfz) | FLAVOPIRIDOL INHIBITS GLYCOGEN PHOSPHORYLASE BY BINDING AT THE INHIBITOR SITE | Descriptor: | CAFFEINE, GLYCOGEN PHOSPHORYLASE, INOSINIC ACID, ... | Authors: | Oikonomakos, N.G, Zographos, S.E, Skamnaki, V.T, Tsitsanou, K.E, Johnson, L.N. | Deposit date: | 2000-06-29 | Release date: | 2000-07-26 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Flavopiridol inhibits glycogen phosphorylase by binding at the inhibitor site. J.Biol.Chem., 275, 2000
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1FUJ
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![BU of 1fuj by Molmil](/molmil-images/mine/1fuj) | PR3 (MYELOBLASTIN) | Descriptor: | PR3, alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Fujinaga, M, Chernaia, M.M, Halenbeck, R, Koths, K, James, M.N.G. | Deposit date: | 1996-01-25 | Release date: | 1996-07-11 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The crystal structure of PR3, a neutrophil serine proteinase antigen of Wegener's granulomatosis antibodies. J.Mol.Biol., 261, 1996
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2L0X
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![BU of 2l0x by Molmil](/molmil-images/mine/2l0x) | Solution structure of the 21 kDa GTPase RHEB bound to GDP | Descriptor: | GTP-binding protein Rheb, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | Authors: | Stoll, R, Heumann, R, Berghaus, C, Kock, G. | Deposit date: | 2010-07-19 | Release date: | 2010-08-04 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Ras homolog enriched in brain (Rheb) enhances apoptotic signaling. J.Biol.Chem., 285, 2010
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8WT9
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![BU of 8wt9 by Molmil](/molmil-images/mine/8wt9) | Cryo-EM structure of the IS621 recombinase in complex with bridge RNA, donor DNA, and target DNA in the post-strand exchange state (Holliday junction resolution) | Descriptor: | IS621 transposase, MAGNESIUM ION, bridge RNA, ... | Authors: | Hiraizumi, M, Yamashita, K, Nishimasu, H. | Deposit date: | 2023-10-18 | Release date: | 2024-06-26 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structural mechanism of bridge RNA-guided recombination. Nature, 630, 2024
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8WT7
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![BU of 8wt7 by Molmil](/molmil-images/mine/8wt7) | Cryo-EM structure of the IS621 recombinase in complex with bridge RNA, donor DNA, and target DNA in the pre-strand exchange locked state | Descriptor: | IS621 transposase, MAGNESIUM ION, bridge RNA, ... | Authors: | Hiraizumi, M, Yamashita, K, Nishimasu, H. | Deposit date: | 2023-10-18 | Release date: | 2024-06-26 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structural mechanism of bridge RNA-guided recombination. Nature, 630, 2024
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8WT6
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![BU of 8wt6 by Molmil](/molmil-images/mine/8wt6) | Cryo-EM structure of the IS621 recombinase in complex with bridge RNA, donor DNA, and target DNA in the pre-strand exchange state | Descriptor: | IS621 transposase, MAGNESIUM ION, bridge RNA, ... | Authors: | Hiraizumi, M, Yamashita, K, Nishimasu, H. | Deposit date: | 2023-10-18 | Release date: | 2024-06-26 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Structural mechanism of bridge RNA-guided recombination. Nature, 630, 2024
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8WT8
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![BU of 8wt8 by Molmil](/molmil-images/mine/8wt8) | Cryo-EM structure of the IS621 recombinase in complex with bridge RNA, donor DNA, and target DNA in the post-strand exchange state (Holliday junction intermediate) | Descriptor: | IS621 transposase, MAGNESIUM ION, bridge RNA, ... | Authors: | Hiraizumi, M, Yamashita, K, Nishimasu, H. | Deposit date: | 2023-10-18 | Release date: | 2024-06-26 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural mechanism of bridge RNA-guided recombination. Nature, 630, 2024
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3HDN
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3HDM
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1B9N
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![BU of 1b9n by Molmil](/molmil-images/mine/1b9n) | REGULATOR FROM ESCHERICHIA COLI | Descriptor: | NICKEL (II) ION, PROTEIN (MODE) | Authors: | Hall, D.R, Gourley, D.G, Hunter, W.N. | Deposit date: | 1999-02-12 | Release date: | 2000-03-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | The high-resolution crystal structure of the molybdate-dependent transcriptional regulator (ModE) from Escherichia coli: a novel combination of domain folds. EMBO J., 18, 1999
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1B9M
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![BU of 1b9m by Molmil](/molmil-images/mine/1b9m) | REGULATOR FROM ESCHERICHIA COLI | Descriptor: | NICKEL (II) ION, PROTEIN (MODE) | Authors: | Hall, D.R, Gourley, D.G, Hunter, W.N. | Deposit date: | 1999-02-12 | Release date: | 2000-03-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The high-resolution crystal structure of the molybdate-dependent transcriptional regulator (ModE) from Escherichia coli: a novel combination of domain folds. EMBO J., 18, 1999
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9EZX
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![BU of 9ezx by Molmil](/molmil-images/mine/9ezx) | Vibrio cholerae DdmD apo complex | Descriptor: | Helicase/UvrB N-terminal domain-containing protein | Authors: | Loeff, L, Jinek, M. | Deposit date: | 2024-04-14 | Release date: | 2024-06-19 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (2.55 Å) | Cite: | Molecular mechanism of plasmid elimination by the DdmDE defense system. Science, 385, 2024
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3M51
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![BU of 3m51 by Molmil](/molmil-images/mine/3m51) | Structure of the 14-3-3/PMA2 complex stabilized by Pyrrolidone1 | Descriptor: | 14-3-3-like protein C, 2-hydroxy-5-[(5S)-3-hydroxy-5-(4-nitrophenyl)-2-oxo-4-(phenylcarbonyl)-2,5-dihydro-1H-pyrrol-1-yl]benzoic acid, N.plumbaginifolia H+-translocating ATPase mRNA | Authors: | Ottmann, C, Rose, R, Waldmann, H. | Deposit date: | 2010-03-12 | Release date: | 2010-05-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Identification and structure of small-molecule stabilizers of 14-3-3 protein-protein interactions Angew.Chem.Int.Ed.Engl., 49, 2010
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3M50
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![BU of 3m50 by Molmil](/molmil-images/mine/3m50) | Structure of the 14-3-3/PMA2 complex stabilized by Epibestatin | Descriptor: | 14-3-3-like protein C, N-[(2R,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]-L-leucine, N.plumbaginifolia H+-translocating ATPase mRNA | Authors: | Ottmann, C, Rose, R, Waldmann, H. | Deposit date: | 2010-03-12 | Release date: | 2010-05-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Identification and structure of small-molecule stabilizers of 14-3-3 protein-protein interactions Angew.Chem.Int.Ed.Engl., 49, 2010
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4XNF
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![BU of 4xnf by Molmil](/molmil-images/mine/4xnf) | Tailspike protein double mutant D339A/E372Q of E. coli bacteriophage HK620 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, SODIUM ION, ... | Authors: | Gohlke, U, Broeker, N.K, Heinemann, U, Seckler, R, Barbirz, S. | Deposit date: | 2015-01-15 | Release date: | 2016-01-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Enthalpic cost of water removal from a hydrophobic glucose binding cavity on HK620 tailspike protein. to be published
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