1IO5
 
 | | HYDROGEN AND HYDRATION OF HEN EGG-WHITE LYSOZYME DETERMINED BY NEUTRON DIFFRACTION | | Descriptor: | LYSOZYME C | | Authors: | Niimura, N, Minezaki, Y, Nonaka, T, Castagna, J.C, Cipriani, F, Hoeghoej, P, Lehmann, M.S, Wilkinson, C. | | Deposit date: | 2001-01-14 | | Release date: | 2001-02-07 | | Last modified: | 2023-10-25 | | Method: | NEUTRON DIFFRACTION (2 Å) | | Cite: | Neutron Laue diffractometry with an imaging plate provides an effective data collection regime for neutron protein crystallography.
Nat.Struct.Biol., 4, 1997
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2X9W
 | | STRUCTURE OF THE PILUS BACKBONE (RRGB) FROM STREPTOCOCCUS PNEUMONIAE | | Descriptor: | CELL WALL SURFACE ANCHOR FAMILY PROTEIN, GLYCEROL | | Authors: | Spraggon, G, Koesema, E, Scarselli, M, Malito, E, Biagini, M, Norais, N, Emolo, C, Barocchi, M.A, Giusti, F, Hilleringmann, M, Rappuoli, R, Lesley, S, Covacci, A, Masignani, V, Ferlenghi, I. | | Deposit date: | 2010-03-25 | | Release date: | 2010-06-30 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Supramolecular Organization of the Repetitive Backbone Unit of the Streptococcus Pneumoniae Pilus.
Plos One, 5, 2010
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1G9R
 | | CRYSTAL STRUCTURE OF GALACTOSYLTRANSFERASE LGTC IN COMPLEX WITH MN AND UDP-2F-GALACTOSE | | Descriptor: | ACETIC ACID, GLYCOSYL TRANSFERASE, MANGANESE (II) ION, ... | | Authors: | Persson, K, Hoa, D.L, Diekelmann, M, Wakarchuk, W.W, Withers, S.G, Strynadka, N.C.J. | | Deposit date: | 2000-11-27 | | Release date: | 2001-02-14 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the retaining galactosyltransferase LgtC from Neisseria meningitidis in complex with donor and acceptor sugar analogs.
Nat.Struct.Biol., 8, 2001
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1GA8
 | | CRYSTAL STRUCTURE OF GALACOSYLTRANSFERASE LGTC IN COMPLEX WITH DONOR AND ACCEPTOR SUGAR ANALOGS. | | Descriptor: | 4-deoxy-beta-D-xylo-hexopyranose-(1-4)-beta-D-glucopyranose, GALACTOSYL TRANSFERASE LGTC, MANGANESE (II) ION, ... | | Authors: | Persson, K, Ly, H.D, Diekelmann, M, Wakarchuk, W.W, Withers, S.G, Strynadka, N.C.J. | | Deposit date: | 2000-11-29 | | Release date: | 2001-02-14 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the retaining galactosyltransferase LgtC from Neisseria meningitidis in complex with donor and acceptor sugar analogs.
Nat.Struct.Biol., 8, 2001
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1SEH
 | | Crystal structure of E. coli dUTPase complexed with the product dUMP | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Deoxyuridine 5'-triphosphate nucleotidohydrolase | | Authors: | Barabas, O, Kovari, J, Pongracz, V, Wilmanns, M, Vertessy, B.G. | | Deposit date: | 2004-02-17 | | Release date: | 2004-09-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Structural Insights into the Catalytic Mechanism of Phosphate Ester Hydrolysis by dUTPase
J.Biol.Chem., 279, 2004
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6AST
 | | NMR and Restrained Molecular Dynamics Determination of the Structure of an Aza-Benzimidazole Derivative Complex with the DNA Minor Groove of an -AAGATA Sequence | | Descriptor: | DNA (5'-D(*CP*CP*AP*AP*GP*AP*TP*AP*G)-3'), DNA (5'-D(*CP*TP*AP*TP*CP*TP*TP*GP*G)-3'), amino(4-{[(2-{4-[amino(iminio)methyl]phenyl}-3H-imidazo[4,5-b]pyridin-5-yl)oxy]methyl}phenyl)methaniminium | | Authors: | Harika, N.K, Germann, M.W, Wilson, W.D. | | Deposit date: | 2017-08-25 | | Release date: | 2018-01-31 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | First Structure of a Designed Minor Groove Binding Heterocyclic Cation that Specifically Recognizes Mixed DNA Base Pair Sequences.
Chemistry, 23, 2017
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4EFT
 | | Hsp90 Alpha N-terminal Domain in Complex with an Inhibitor 3-Cyclohexyl-2-(6-hydroxy-1H-indazol-3-yl)-propionitrile | | Descriptor: | (2R)-3-cyclohexyl-2-(6-hydroxy-1H-indazol-3-yl)propanenitrile, Heat shock protein HSP 90-alpha | | Authors: | Musil, D, Lehmann, M, Graedler, U, Buchstaller, H.-P. | | Deposit date: | 2012-03-30 | | Release date: | 2012-06-27 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Fragment-based discovery of hydroxy-indazole-carboxamides as novel small molecule inhibitors of Hsp90
Bioorg.Med.Chem.Lett., 22, 2012
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2CHC
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2WJZ
 | | Crystal structure of (HisH) K181A Y138A mutant of imidazoleglycerolphosphate synthase (HisH HisF) which displays constitutive glutaminase activity | | Descriptor: | IMIDAZOLE GLYCEROL PHOSPHATE SYNTHASE HISF, IMIDAZOLE GLYCEROL PHOSPHATE SYNTHASE SUBUNIT HISH, PHOSPHATE ION | | Authors: | Vega, M.C, List, F, Razeto, A, Haeger, M.C, Babinger, K, Kuper, J, Sterner, R, Wilmanns, M. | | Deposit date: | 2009-06-02 | | Release date: | 2010-08-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.601 Å) | | Cite: | Catalysis Uncoupling in a Glutamine Amidotransferase Bienzyme by Unblocking the Glutaminase Active Site.
Chem.Biol., 19, 2012
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6SGB
 | | mt-SSU assemblosome of Trypanosoma brucei | | Descriptor: | 9S rRNA, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Saurer, M, Ramrath, D.J.F, Niemann, M, Calderaro, S, Prange, C, Mattei, S, Scaiola, A, Leitner, A, Bieri, P, Horn, E.K, Leibundgut, M, Boehringer, D, Schneider, A, Ban, N. | | Deposit date: | 2019-08-03 | | Release date: | 2019-09-25 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Mitoribosomal small subunit biogenesis in trypanosomes involves an extensive assembly machinery.
Science, 365, 2019
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6FQZ
 | | Plasmodium falciparum 6-phosphogluconate dehydrogenase in its apo form, in complex with its cofactor NADP+ and in complex with its substrate 6-phosphogluconate | | Descriptor: | 6-PHOSPHOGLUCONIC ACID, 6-phosphogluconate dehydrogenase, decarboxylating, ... | | Authors: | Fritz-Wolf, K, Haeussler, K, Reichmann, M, Rahlfs, S, Becker, K. | | Deposit date: | 2018-02-15 | | Release date: | 2018-08-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Characterization of Plasmodium falciparum 6-Phosphogluconate Dehydrogenase as an Antimalarial Drug Target.
J. Mol. Biol., 430, 2018
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4F14
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1E3O
 | | Crystal structure of Oct-1 POU dimer bound to MORE | | Descriptor: | 5'-D(*AP*TP*GP*CP*AP*TP*GP*AP*GP*GP*A)-3', 5'-D(*TP*CP*CP*TP*CP*AP*TP*GP*CP*AP*T)-3', OCTAMER-BINDING TRANSCRIPTION FACTOR 1 | | Authors: | Remenyi, A, Tomilin, A, Pohl, E, Schoeler, H, Wilmanns, M. | | Deposit date: | 2000-06-20 | | Release date: | 2001-11-10 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Differential Dimer Activities of the Transcription Factor Oct-1 by DNA-Induced Interface Swapping
Mol.Cell, 8, 2001
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5OD7
 | | Hsp90 inhibitor desolvation as a rationale to steer on-rates and impact residence time | | Descriptor: | Heat shock protein HSP 90-alpha, [2-azanyl-6-[2-(4-methylpiperazin-1-yl)sulfonylphenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone | | Authors: | Schuetz, D.A, Richter, L, Amaral, M, Grandits, M, Musil, D, Graedler, U, Buchstaller, H.-P, Eggenweiler, H.-M, Frech, M, Ecker, G.F, Lehmann, M. | | Deposit date: | 2017-07-04 | | Release date: | 2018-11-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Ligand Desolvation Steers On-Rate and Impacts Drug Residence Time of Heat Shock Protein 90 (Hsp90) Inhibitors.
J.Med.Chem., 61, 2018
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1DV4
 | | PARTIAL STRUCTURE OF 16S RNA OF THE SMALL RIBOSOMAL SUBUNIT FROM THERMUS THERMOPHILUS | | Descriptor: | 16S RIBOSOMAL RNA, OCTADECATUNGSTENYL DIPHOSPHATE, RIBOSOMAL PROTEIN S5, ... | | Authors: | Tocilj, A, Schlunzen, F, Janell, D, Gluhmann, M, Hansen, H, Harms, J, Bashan, A, Bartels, H, Agmon, I, Franceschi, F, Yonath, A. | | Deposit date: | 2000-01-19 | | Release date: | 2000-02-02 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (4.5 Å) | | Cite: | The small ribosomal subunit from Thermus thermophilus at 4.5 A resolution: pattern fittings and the identification of a functional site.
Proc.Natl.Acad.Sci.USA, 96, 1999
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8PKU
 | | Kelch domain of KEAP1 in complex with ortho-dimethylbenzene linked cyclic peptide 3 (ortho-WRCDEETGEC). | | Descriptor: | (2-methylphenyl)methanol, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Braun, M.B, Bischof, L, Hartmann, M.D. | | Deposit date: | 2023-06-27 | | Release date: | 2023-11-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Computational Prediction of Cyclic Peptide Structural Ensembles and Application to the Design of Keap1 Binders.
J.Chem.Inf.Model., 63, 2023
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5OGI
 | | Complex of a binding protein and human adenovirus C 5 hexon | | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | | Authors: | Schmid, M, Ernst, P, Honegger, A, Suomalainen, M, Zimmermann, M, Braun, L, Stauffer, S, Thom, C, Dreier, B, Eibauer, M, Kipar, A, Vogel, V, Greber, U.F, Medalia, O, Plueckthun, A. | | Deposit date: | 2017-07-13 | | Release date: | 2018-02-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Adenoviral vector with shield and adapter increases tumor specificity and escapes liver and immune control.
Nat Commun, 9, 2018
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8A90
 | | Crystal structure of FrsH | | Descriptor: | ACETATE ION, FE (III) ION, GLYCEROL, ... | | Authors: | Schneberger, N, Wirtz, D.A, Cruesemann, M, Hagelueken, G. | | Deposit date: | 2022-06-27 | | Release date: | 2023-07-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.574 Å) | | Cite: | Adenylation Domain-Guided Recruitment of Trans- Acting Nonheme Monooxygenases in Nonribosomal Peptide Biosynthesis.
Acs Chem.Biol., 18, 2023
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2V8F
 | | Mouse Profilin IIa in complex with a double repeat from the FH1 domain of mDia1 | | Descriptor: | GLYCEROL, ISOPROPYL ALCOHOL, PROFILIN-2, ... | | Authors: | Kursula, P, Kursula, I, Downer, J, Witke, W, Wilmanns, M. | | Deposit date: | 2007-08-07 | | Release date: | 2007-12-18 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | High-Resolution Structural Analysis of Mammalian Profilin 2A Complex Formation with Two Physiological Ligands: The Formin Homology 1 Domain of Mdia1 and the Proline-Rich Domain of Vasp.
J.Mol.Biol., 375, 2008
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8OXR
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8OU3
 | | Cereblon isoform 4 in complex with novel Benzamide-Type Cereblon Binder 8d | | Descriptor: | 4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-fluoranyl-benzamide, Cereblon isoform 4, PHOSPHATE ION, ... | | Authors: | Heim, C, Bischof, L, Maiwald, S, Hartmann, M.D. | | Deposit date: | 2023-04-21 | | Release date: | 2023-11-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Leveraging Ligand Affinity and Properties: Discovery of Novel Benzamide-Type Cereblon Binders for the Design of PROTACs.
J.Med.Chem., 66, 2023
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8OU5
 | | Cereblon isoform 4 in complex with novel Benzamide-Type Cereblon Binder 11b | | Descriptor: | 4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-(trifluoromethyl)benzamide, Cereblon isoform 4, ZINC ION | | Authors: | Heim, C, Bischof, L, Hartmann, M.D. | | Deposit date: | 2023-04-21 | | Release date: | 2023-11-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Leveraging Ligand Affinity and Properties: Discovery of Novel Benzamide-Type Cereblon Binders for the Design of PROTACs.
J.Med.Chem., 66, 2023
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8OU4
 | | Cereblon isoform 4 in complex with novel Benzamide-Type Cereblon Binder 11a | | Descriptor: | 4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-chloranyl-benzamide, Cereblon isoform 4, ZINC ION | | Authors: | Heim, C, Bischof, L, Hartmann, M.D. | | Deposit date: | 2023-04-21 | | Release date: | 2023-11-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Leveraging Ligand Affinity and Properties: Discovery of Novel Benzamide-Type Cereblon Binders for the Design of PROTACs.
J.Med.Chem., 66, 2023
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8OU7
 | | Cereblon isoform 4 in complex with novel Benzamide-Type Cereblon Binder 11d | | Descriptor: | 4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-methoxy-benzamide, Cereblon isoform 4, ZINC ION | | Authors: | Heim, C, Bischof, L, Hartmann, M.D. | | Deposit date: | 2023-04-22 | | Release date: | 2023-11-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Leveraging Ligand Affinity and Properties: Discovery of Novel Benzamide-Type Cereblon Binders for the Design of PROTACs.
J.Med.Chem., 66, 2023
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8OU6
 | | Cereblon isoform 4 in complex with novel Benzamide-Type Cereblon Binder 11c | | Descriptor: | 4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-methyl-benzamide, Cereblon isoform 4, PHOSPHATE ION, ... | | Authors: | Heim, C, Bischof, L, Hartmann, M.D. | | Deposit date: | 2023-04-21 | | Release date: | 2023-11-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Leveraging Ligand Affinity and Properties: Discovery of Novel Benzamide-Type Cereblon Binders for the Design of PROTACs.
J.Med.Chem., 66, 2023
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