PDB: 97310 resultsInfo pagesStatus searchChemie searchBIRD

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5R3Q	PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 50, DMSO-Free Descriptor: Endothiapepsin Authors: Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. Deposit date: 2020-02-13 Release date: 2020-06-03 Last modified: 2020-07-08 Method: X-RAY DIFFRACTION (1.009 Å) Cite: F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
5R1W	PanDDA analysis group deposition -- Endothiapepsin in complex with fragment F2X-Entry C11, DMSO-free Descriptor: Endothiapepsin, N-ethyl-N-(thiophene-2-carbonyl)-beta-alanine Authors: Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. Deposit date: 2020-02-13 Release date: 2020-06-03 Last modified: 2020-07-08 Method: X-RAY DIFFRACTION (1.077 Å) Cite: F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
5R2D	PanDDA analysis group deposition -- Endothiapepsin in complex with fragment F2X-Entry H11, DMSO-free Descriptor: 1-cyclopentyl-3-[[(2~{S})-oxolan-2-yl]methyl]urea, Endothiapepsin Authors: Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. Deposit date: 2020-02-13 Release date: 2020-06-03 Last modified: 2020-07-08 Method: X-RAY DIFFRACTION (0.919 Å) Cite: F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
5R2T	PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 17, DMSO-Free Descriptor: Endothiapepsin Authors: Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. Deposit date: 2020-02-13 Release date: 2020-06-03 Last modified: 2020-07-08 Method: X-RAY DIFFRACTION (1.009 Å) Cite: F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
5R3B	PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 35, DMSO-Free Descriptor: Endothiapepsin Authors: Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. Deposit date: 2020-02-13 Release date: 2020-06-03 Last modified: 2020-07-08 Method: X-RAY DIFFRACTION (1.17 Å) Cite: F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
5R3P	PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 49, DMSO-Free Descriptor: Endothiapepsin Authors: Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. Deposit date: 2020-02-13 Release date: 2020-06-03 Last modified: 2020-07-08 Method: X-RAY DIFFRACTION (1.077 Å) Cite: F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
5RCX	PanDDA analysis group deposition -- Endothiapepsin ground state model 19 Descriptor: Endothiapepsin Authors: Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. Deposit date: 2020-03-24 Release date: 2020-06-03 Last modified: 2020-06-17 Method: X-RAY DIFFRACTION (1.04 Å) Cite: F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
5RDA	PanDDA analysis group deposition -- Endothiapepsin ground state model 32 Descriptor: Endothiapepsin Authors: Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. Deposit date: 2020-03-24 Release date: 2020-06-03 Last modified: 2020-06-17 Method: X-RAY DIFFRACTION (0.98 Å) Cite: F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
5RDQ	PanDDA analysis group deposition -- Endothiapepsin ground state model 42 Descriptor: Endothiapepsin Authors: Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. Deposit date: 2020-03-24 Release date: 2020-06-03 Last modified: 2020-06-17 Method: X-RAY DIFFRACTION (1.04 Å) Cite: F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
5RCO	PanDDA analysis group deposition -- Endothiapepsin ground state model 09 Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ... Authors: Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. Deposit date: 2020-03-24 Release date: 2020-06-03 Last modified: 2020-06-17 Method: X-RAY DIFFRACTION (1.21 Å) Cite: F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
5RD5	PanDDA analysis group deposition -- Endothiapepsin ground state model 27 Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ... Authors: Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. Deposit date: 2020-03-24 Release date: 2020-06-03 Last modified: 2020-06-17 Method: X-RAY DIFFRACTION (1.15 Å) Cite: F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
5RDM	PanDDA analysis group deposition -- Endothiapepsin ground state model 46 Descriptor: Endothiapepsin Authors: Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. Deposit date: 2020-03-24 Release date: 2020-06-03 Last modified: 2020-06-17 Method: X-RAY DIFFRACTION (1.01 Å) Cite: F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
5RE3	PanDDA analysis group deposition -- Endothiapepsin ground state model 12 Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ... Authors: Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. Deposit date: 2020-03-24 Release date: 2020-06-03 Last modified: 2020-06-17 Method: X-RAY DIFFRACTION (1.09 Å) Cite: F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
5R1T	PanDDA analysis group deposition -- Endothiapepsin in complex with fragment F2X-Entry A07, DMSO-free Descriptor: (2-aminopyridin-3-yl)methanol, Endothiapepsin Authors: Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. Deposit date: 2020-02-13 Release date: 2020-06-03 Last modified: 2020-07-08 Method: X-RAY DIFFRACTION (1.187 Å) Cite: F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
5R28	PanDDA analysis group deposition -- Endothiapepsin in complex with fragment F2X-Entry G08, DMSO-free Descriptor: Endothiapepsin, N-ethyl-2-{[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide Authors: Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. Deposit date: 2020-02-13 Release date: 2020-06-03 Last modified: 2020-07-08 Method: X-RAY DIFFRACTION (1.019 Å) Cite: F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
5R2Q	PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 14, DMSO-Free Descriptor: Endothiapepsin Authors: Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. Deposit date: 2020-02-13 Release date: 2020-06-03 Last modified: 2020-07-08 Method: X-RAY DIFFRACTION (1.038 Å) Cite: F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
5R35	PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 29, DMSO-Free Descriptor: Endothiapepsin Authors: Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. Deposit date: 2020-02-13 Release date: 2020-06-03 Last modified: 2020-07-08 Method: X-RAY DIFFRACTION (0.91 Å) Cite: F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
5R3L	PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 45, DMSO-Free Descriptor: Endothiapepsin Authors: Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. Deposit date: 2020-02-13 Release date: 2020-06-03 Last modified: 2020-07-08 Method: X-RAY DIFFRACTION (0.94 Å) Cite: F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
1EEF	HEAT-LABILE ENTEROTOXIN B-PENTAMER COMPLEXED WITH BOUND LIGAND PEPG Descriptor: 2-PHENETHYL-2,3-DIHYDRO-PHTHALAZINE-1,4-DIONE, PROTEIN (HEAT-LABILE ENTEROTOXIN B CHAIN), alpha-D-galactopyranose Authors: Merritt, E.A, Hol, W.G.J. Deposit date: 2000-01-31 Release date: 2000-02-16 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Exploration of the GM1 receptor-binding site of heat-labile enterotoxin and cholera toxin by phenyl-ring-containing galactose derivatives. Acta Crystallogr.,Sect.D, 57, 2001
8GCR	HPV16 E6-E6AP-p53 complex Descriptor: Cellular tumor antigen p53, Maltose/maltodextrin-binding periplasmic protein,Protein E6, Ubiquitin-protein ligase E3A, ... Authors: Bratkowski, M.A, Wang, J.C.K, Hao, Q, Nile, A.H. Deposit date: 2023-03-02 Release date: 2024-03-06 Method: ELECTRON MICROSCOPY (3.38 Å) Cite: Structure of the p53 degradation complex from HPV16. Nat Commun, 15, 2024
1ESC	THE MOLECULAR MECHANISM OF ENANTIORECOGNITION BY ESTERASES Descriptor: ESTERASE Authors: Wei, Y, Schottel, J.L, Derewenda, U, Swenson, L, Patkar, S, Derewenda, Z.S. Deposit date: 1994-10-07 Release date: 1995-10-15 Last modified: 2019-08-14 Method: X-RAY DIFFRACTION (2.1 Å) Cite: A novel variant of the catalytic triad in the Streptomyces scabies esterase. Nat.Struct.Biol., 2, 1995
4TUR	Human DNA polymerase beta inserting dCMPNPP opposite the 5'G of cisplatin crosslinked Gs (Pt-GG2) Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, Cisplatin, DNA (5'-D(*CP*CP*CP*AP*CP*GP*GP*CP*CP*CP*AP*TP*CP*AP*CP*C)-3'), ... Authors: Koag, M.C, Lee, S. Deposit date: 2014-06-24 Release date: 2014-10-01 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (2.169 Å) Cite: Structural Basis for the Inefficient Nucleotide Incorporation Opposite Cisplatin-DNA Lesion by Human DNA Polymerase beta. J.Biol.Chem., 289, 2014
8GA7	Geometrically programmable nanomaterial construction using regularized protein building blocks Descriptor: THR5 Authors: Huddy, T, Bera, A.K, Baker, D, Kang, A. Deposit date: 2023-02-22 Release date: 2024-03-13 Last modified: 2024-04-10 Method: X-RAY DIFFRACTION (2.93 Å) Cite: Blueprinting extendable nanomaterials with standardized protein blocks. Nature, 627, 2024
1EG5	NIFS-LIKE PROTEIN Descriptor: AMINOTRANSFERASE, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION Authors: Kaiser, J.T, Clausen, T, Bourenkow, G.P, Bartunik, H.-D, Steinbacher, S, Huber, R. Deposit date: 2000-02-13 Release date: 2000-04-02 Last modified: 2018-01-31 Method: X-RAY DIFFRACTION (2 Å) Cite: Crystal structure of a NifS-like protein from Thermotoga maritima: implications for iron sulphur cluster assembly. J.Mol.Biol., 297, 2000
1EET	HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH THE INHIBITOR MSC204 Descriptor: 1-(5-BROMO-PYRIDIN-2-YL)-3-[2-(6-FLUORO-2-HYDROXY-3-PROPIONYL-PHENYL)-CYCLOPROPYL]-UREA, HIV-1 REVERSE TRANSCRIPTASE Authors: Hogberg, M, Sahlberg, C, Engelhardt, P, Noreen, R, Kangasmetsa, J, Johansson, N.G, Oberg, B, Vrang, L, Zhang, H, Sahlberg, B.L, Unge, T, Lovgren, S, Fridborg, K, Backbro, K. Deposit date: 2000-02-03 Release date: 2001-02-07 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2.73 Å) Cite: Urea-PETT compounds as a new class of HIV-1 reverse transcriptase inhibitors. 3. Synthesis and further structure-activity relationship studies of PETT analogues. J.Med.Chem., 42, 1999

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