2MH4
 
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2N7P
 | | Solution structure of PDZ domain | | Descriptor: | Putative uncharacterized protein | | Authors: | Mei, S. | | Deposit date: | 2015-09-17 | | Release date: | 2015-10-07 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Solution structure of Q388A3 PDZ domain from Trypanosoma brucei and its interaction with OMP-like peptide
To be Published
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2NB4
 | | Solution structure of Q388A3 PDZ domain | | Descriptor: | Putative uncharacterized protein | | Authors: | Mei, S. | | Deposit date: | 2016-01-24 | | Release date: | 2016-02-24 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Solution structure of Q388A3 PDZ domain from Trypanosoma brucei
J.Struct.Biol., 194, 2016
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2N7S
 | | Solution Structure of Leptospiral LigA4 Big Domain | | Descriptor: | Ig-like repeat domain protein 1 | | Authors: | Mei, S. | | Deposit date: | 2015-09-17 | | Release date: | 2015-10-21 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Solution structure of leptospiral LigA4 Big domain.
Biochem. Biophys. Res. Commun., 467, 2015
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2MQG
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8BWF
 | | PTBP1 RRM1 bound to an allosteric inhibitor | | Descriptor: | AMINO GROUP, GLYCEROL, Ligand, ... | | Authors: | Schmeing, S, Vetter, I, t Hart, P, Gasper, R. | | Deposit date: | 2022-12-06 | | Release date: | 2023-10-11 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Rationally designed stapled peptides allosterically inhibit PTBP1-RNA-binding.
Chem Sci, 14, 2023
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2NX6
 | | Structure of NOWA cysteine rich domain 6 | | Descriptor: | Nematocyst outer wall antigen | | Authors: | Meier, S, Jensen, P.R, Adamczyk, P, Bachinger, H.P, Holstein, T.W, Engel, J, Ozbek, S, Grzesiek, S. | | Deposit date: | 2006-11-17 | | Release date: | 2007-10-02 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Sequence-structure and structure-function analysis in cysteine-rich domains forming the ultrastable nematocyst wall.
J.Mol.Biol., 368, 2007
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2NX7
 | | Structure of NOWA cysteine rich domain 8 | | Descriptor: | Nematocyst outer wall antigen | | Authors: | Meier, S, Jensen, P.R, Adamczyk, P, Bachinger, H.P, Holstein, T.W, Engel, J, Ozbek, S, Grzesiek, S. | | Deposit date: | 2006-11-17 | | Release date: | 2007-10-02 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Sequence-structure and structure-function analysis in cysteine-rich domains forming the ultrastable nematocyst wall.
J.Mol.Biol., 368, 2007
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2OQ9
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2HM4
 | | Nematocyst Outer Wall Antigen, NW1 K21P | | Descriptor: | Nematocyst outer wall antigen | | Authors: | Meier, S, Jensen, P.R, Grzesiek, S, Oezbek, S. | | Deposit date: | 2006-07-11 | | Release date: | 2007-02-06 | | Last modified: | 2021-10-20 | | Method: | SOLUTION NMR | | Cite: | Continuous molecular evolution of protein-domain structures by single amino Acid changes.
Curr.Biol., 17, 2007
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1SP7
 | | Structure of the Cys-rich C-terminal domain of Hydra minicollagen | | Descriptor: | mini-collagen | | Authors: | Meier, S, Haussinger, D, Pokidysheva, E, Bachinger, H.P, Grzesiek, S. | | Deposit date: | 2004-03-16 | | Release date: | 2004-05-18 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | Determination of a high-precision NMR structure of the minicollagen cysteine rich domain from Hydra and characterization of its disulfide bond formation.
Febs Lett., 569, 2004
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2HM5
 | | NW1, K21P, Structural Species II | | Descriptor: | Nematocyst outer wall antigen | | Authors: | Meier, S, Jensen, P.R, Grzesiek, S, Oezbek, S. | | Deposit date: | 2006-07-11 | | Release date: | 2007-02-06 | | Last modified: | 2021-10-20 | | Method: | SOLUTION NMR | | Cite: | Continuous molecular evolution of protein-domain structures by single amino Acid changes.
Curr.Biol., 17, 2007
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1U0P
 | | Stable A-state hairpin of T4 fibritin foldon | | Descriptor: | fibritin | | Authors: | Meier, S, Guthe, S, Kiefhaber, T, Grzesiek, S. | | Deposit date: | 2004-07-14 | | Release date: | 2005-02-22 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Foldon, the natural trimerization domain of T4 fibritin, dissociates into a monomeric A-state form containing a stable beta-hairpin: atomic details of trimer dissociation and
local beta-hairpin stability from residual dipolar couplings
J.Mol.Biol., 344, 2004
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2HM3
 | | Nematocyst outer wall antigen, cysteine rich domain NW1 | | Descriptor: | Nematocyst outer wall antigen | | Authors: | Meier, S, Jensen, P.R, Grzesiek, S, Oezbek, S. | | Deposit date: | 2006-07-11 | | Release date: | 2007-02-06 | | Last modified: | 2022-03-09 | | Method: | SOLUTION NMR | | Cite: | Sequence-Structure and Structure-Function Analysis in Cysteine-rich Domains Forming the Ultrastable Nematocyst Wall.
J.Mol.Biol., 368, 2007
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2HM6
 | | Nematocyst outer wall antigen, NW1 G11V K21P | | Descriptor: | Nematocyst outer wall antigen | | Authors: | Meier, S, Jensen, P.R, Grzesiek, S, Oezbek, S. | | Deposit date: | 2006-07-11 | | Release date: | 2007-02-06 | | Last modified: | 2021-10-20 | | Method: | SOLUTION NMR | | Cite: | Continuous molecular evolution of protein-domain structures by single amino Acid changes.
Curr.Biol., 17, 2007
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8OQJ
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8OSY
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8Q1N
 | | Cyclic peptide binder of the WBM-site of WDR5 | | Descriptor: | Cyclic peptide inhibitor, WD repeat-containing protein 5 | | Authors: | Schmeing, S, Chang, J.Y, t Hart, P, Gasper, R. | | Deposit date: | 2023-08-01 | | Release date: | 2023-09-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.843 Å) | | Cite: | Macrocyclic peptides as inhibitors of WDR5-lncRNA interactions.
Chem.Commun.(Camb.), 59, 2023
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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
 | | 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
 | | 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
 | | 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
 | | 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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7NEV
 | | Structure of the hemiacetal complex between the SARS-CoV-2 Main Protease and Leupeptin | | Descriptor: | 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Guenther, S, Reinke, P.Y.A, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H.M, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashhour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Xavier, P.L, Ullah, N, Andaleeb, H, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Zaitsev-Doyle, J.J, Rogers, C, Gieseler, H, Melo, D, Monteiro, D.C.F, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schluenzen, F, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Sun, X, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | | Deposit date: | 2021-02-05 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
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6YNQ
 | | Structure of SARS-CoV-2 Main Protease bound to 2-Methyl-1-tetralone. | | Descriptor: | (2~{S})-2-methyl-3,4-dihydro-2~{H}-naphthalen-1-one, 3C-like proteinase, CHLORIDE ION, ... | | Authors: | Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | | Deposit date: | 2020-04-14 | | Release date: | 2020-04-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
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