4PZF
 
 | | Berberine bridge enzyme G164A variant, a reticuline dehydrogenase | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DODECAETHYLENE GLYCOL, ... | | Authors: | Zafred, D, Wallner, S, Steiner, B, Macheroux, P. | | Deposit date: | 2014-03-30 | | Release date: | 2014-04-23 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Rationally engineered flavin-dependent oxidase reveals steric control of dioxygen reduction.
Febs J., 282, 2015
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3S96
 | | Crystal structure of 3B5H10 | | Descriptor: | 3B5H10 FAB heavy chain, 3B5H10 FAB light chain | | Authors: | Weisgraber, K, Peters-Libeu, C, Rutenber, E, Newhouse, Y, Finkbeiner, S. | | Deposit date: | 2011-05-31 | | Release date: | 2012-02-15 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Disease-associated polyglutamine stretches in monomeric huntingtin adopt a compact structure.
J.Mol.Biol., 421, 2012
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5NJ6
 | | Crystal structure of a thermostabilised human protease-activated receptor-2 (PAR2) in ternary complex with Fab3949 and AZ7188 at 4.0 angstrom resolution | | Descriptor: | Fab3949 H, Fab3949 L, Proteinase-activated receptor 2,Soluble cytochrome b562,Proteinase-activated receptor 2 | | Authors: | Cheng, R.K.Y, Fiez-Vandal, C, Schlenker, O, Edman, K, Aggeler, B, Brown, D.G, Brown, G, Cooke, R.M, Dumelin, C.E, Dore, A.S, Geschwindner, S, Grebner, C, Hermansson, N.-O, Jazayeri, A, Johansson, P, Leong, L, Prihandoko, R, Rappas, M, Soutter, H, Snijder, A, Sundstrom, L, Tehan, B, Thornton, P, Troast, D, Wiggin, G, Zhukov, A, Marshall, F.H, Dekker, N. | | Deposit date: | 2017-03-28 | | Release date: | 2017-05-03 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (4 Å) | | Cite: | Structural insight into allosteric modulation of protease-activated receptor 2.
Nature, 545, 2017
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4DCQ
 | | Crystal Structure of the Fab Fragment of 3B5H10, an Antibody-Specific for Extended Polyglutamine Repeats (orthorhombic form) | | Descriptor: | 1,2-ETHANEDIOL, 3B5H10 FAB Heavy Chain, 3B5H10 FAB Light Chain | | Authors: | Peters-Libeu, C.A, Tran, T, Finkbeiner, S, Weisgraber, K. | | Deposit date: | 2012-01-18 | | Release date: | 2012-02-22 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Disease-associated polyglutamine stretches in monomeric huntingtin adopt a compact structure.
J.Mol.Biol., 421, 2012
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5NDD
 | | Crystal structure of a thermostabilised human protease-activated receptor-2 (PAR2) in complex with AZ8838 at 2.8 angstrom resolution | | Descriptor: | (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol, Lysozyme,Proteinase-activated receptor 2,Soluble cytochrome b562,Proteinase-activated receptor 2, PHOSPHATE ION, ... | | Authors: | Cheng, R.K.Y, Fiez-Vandal, C, Schlenker, O, Edman, K, Aggeler, B, Brown, D.G, Brown, G, Cooke, R.M, Dumelin, C.E, Dore, A.S, Geschwindner, S, Grebner, C, Hermansson, N.-O, Jazayeri, A, Johansson, P, Leong, L, Prihandoko, R, Rappas, M, Soutter, H, Snijder, A, Sundstrom, L, Tehan, B, Thornton, P, Troast, D, Wiggin, G, Zhukov, A, Marshall, F.H, Dekker, N. | | Deposit date: | 2017-03-08 | | Release date: | 2017-05-03 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.801 Å) | | Cite: | Structural insight into allosteric modulation of protease-activated receptor 2.
Nature, 545, 2017
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5NDZ
 | | Crystal structure of a thermostabilised human protease-activated receptor-2 (PAR2) in complex with AZ3451 at 3.6 angstrom resolution | | Descriptor: | 2-(6-bromanyl-1,3-benzodioxol-5-yl)-~{N}-(4-cyanophenyl)-1-[(1~{S})-1-cyclohexylethyl]benzimidazole-5-carboxamide, Lysozyme,Proteinase-activated receptor 2,Soluble cytochrome b562,Proteinase-activated receptor 2, SODIUM ION | | Authors: | Cheng, R.K.Y, Fiez-Vandal, C, Schlenker, O, Edman, K, Aggeler, B, Brown, D.G, Brown, G, Cooke, R.M, Dumelin, C.E, Dore, A.S, Geschwindner, S, Grebner, C, Hermansson, N.-O, Jazayeri, A, Johansson, P, Leong, L, Prihandoko, R, Rappas, M, Soutter, H, Snijder, A, Sundstrom, L, Tehan, B, Thornton, P, Troast, D, Wiggin, G, Zhukov, A, Marshall, F.H, Dekker, N. | | Deposit date: | 2017-03-09 | | Release date: | 2017-05-03 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Structural insight into allosteric modulation of protease-activated receptor 2.
Nature, 545, 2017
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5A3L
 | | Structure of Cea1A in complex with N-Acetylglucosamine | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Kock, M, Brueckner, S, Wozniak, N, Veelders, M, Schlereth, J, Moesch, H.-U, Essen, L.-O. | | Deposit date: | 2015-06-02 | | Release date: | 2016-06-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | High-Affinity Recognition of Non-Reducing Chitinous Ends by the Yeast Adhesin Cea1
To be Published
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4FM5
 | | X-ray structure of des-methylflurbiprofen bound to murine COX-2 | | Descriptor: | (2-fluorobiphenyl-4-yl)acetic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Xu, S, Banerjee, S, Windsor, M.A, Marnett, L.J. | | Deposit date: | 2012-06-15 | | Release date: | 2012-08-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Substrate-Selective Inhibition of Cyclooxygenase-2: Development and Evaluation of Achiral Profen Probes.
ACS Med Chem Lett, 3, 2012
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4BQC
 | | Crystal structure of the FN5 and FN6 domains of NEO1 bound to SOS | | Descriptor: | 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, NEOGENIN, ... | | Authors: | Bell, C.H, Healey, E, vanErp, S, Bishop, B, Tang, C, Gilbert, R.J.C, Aricescu, A.R, Pasterkamp, R.J, Siebold, C. | | Deposit date: | 2013-05-30 | | Release date: | 2013-06-12 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structure of the Repulsive Guidance Molecule (Rgm)-Neogenin Signaling Hub
Science, 341, 2013
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5DWZ
 | | Structural and functional characterization of PqsBC, a condensing enzyme in the biosynthesis of the Pseudomonas aeruginosa quinolone signal | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-oxoacyl-(Acyl carrier protein) synthase III, 3-oxoacyl-[acyl-carrier-protein] synthase 3, ... | | Authors: | Drees, S.L, Li, C, Prasetya, F, Saleem, M, Dreveny, I, Hennecke, U, Williams, P, Emsley, J, Fetzner, S. | | Deposit date: | 2015-09-23 | | Release date: | 2016-02-03 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | PqsBC, a Condensing Enzyme in the Biosynthesis of the Pseudomonas aeruginosa Quinolone Signal: CRYSTAL STRUCTURE, INHIBITION, AND REACTION MECHANISM.
J.Biol.Chem., 291, 2016
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5E3A
 | | Structure of human DPP3 in complex with opioid peptide leu-enkephalin | | Descriptor: | Dipeptidyl peptidase 3, Leu-enkephalin, MAGNESIUM ION, ... | | Authors: | Kumar, P, Reithofer, V, Reisinger, M, Pavkov-Keller, T, Wallner, S, Macheroux, P, Gruber, K. | | Deposit date: | 2015-10-02 | | Release date: | 2016-04-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Substrate complexes of human dipeptidyl peptidase III reveal the mechanism of enzyme inhibition.
Sci Rep, 6, 2016
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6QZJ
 | | Crystal structure of human Aquaporin 7 at 2.2 A resolution | | Descriptor: | Aquaporin-7, GLYCEROL, PHOSPHATE ION | | Authors: | de Mare, S.W.-H, Venskutonyte, R, Eltschkner, S, Lindkvist-Petersson, K. | | Deposit date: | 2019-03-11 | | Release date: | 2019-11-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Basis for Glycerol Efflux and Selectivity of Human Aquaporin 7.
Structure, 28, 2020
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6QZI
 | | Crystal structure of human Aquaporin 7 at 1.9 A resolution | | Descriptor: | Aquaporin-7, GLYCEROL, PHOSPHATE ION | | Authors: | de Mare, S.W.-H, Venskutonyte, R, Eltschkner, S, Lindkvist-Petersson, K. | | Deposit date: | 2019-03-11 | | Release date: | 2019-11-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Basis for Glycerol Efflux and Selectivity of Human Aquaporin 7.
Structure, 28, 2020
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5EKP
 | | Structure of the polyisoprenyl-phosphate glycosyltransferase GtrB (WT) | | Descriptor: | MAGNESIUM ION, URIDINE-5'-DIPHOSPHATE, Uncharacterized glycosyltransferase sll0501 | | Authors: | Ardiccioni, C, Clarke, O.B, Tomasek, D, Banerjee, S, Rajashankar, K.R, Liu, Q, Shapiro, L, Mancia, F, New York Consortium on Membrane Protein Structure (NYCOMPS) | | Deposit date: | 2015-11-03 | | Release date: | 2016-01-06 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3.194 Å) | | Cite: | Structure of the polyisoprenyl-phosphate glycosyltransferase GtrB and insights into the mechanism of catalysis.
Nat Commun, 7, 2016
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5F15
 | | Crystal Structure of ArnT from Cupriavidus metallidurans bound to Undecaprenyl phosphate | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-amino-4-deoxy-L-arabinose (L-Ara4N) transferase, CHLORIDE ION, ... | | Authors: | Petrou, V.I, Clarke, O.B, Tomasek, D, Banerjee, S, Rajashankar, K.R, Mancia, F, New York Consortium on Membrane Protein Structure (NYCOMPS) | | Deposit date: | 2015-11-30 | | Release date: | 2016-02-17 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structures of aminoarabinose transferase ArnT suggest a molecular basis for lipid A glycosylation.
Science, 351, 2016
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5EZM
 | | Crystal Structure of ArnT from Cupriavidus metallidurans in the apo state | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-amino-4-deoxy-L-arabinose transferase or related glycosyltransferases of PMT family, CHLORIDE ION, ... | | Authors: | Petrou, V.I, Clarke, O.B, Tomasek, D, Banerjee, S, Rajashankar, K.R, Mancia, F, New York Consortium on Membrane Protein Structure (NYCOMPS) | | Deposit date: | 2015-11-26 | | Release date: | 2016-02-17 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structures of aminoarabinose transferase ArnT suggest a molecular basis for lipid A glycosylation.
Science, 351, 2016
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6YUR
 | | Crystal structure of S. aureus FabI inhibited by SKTS1 | | Descriptor: | 6-[4-(4-hexyl-2-oxidanyl-phenoxy)phenoxy]pyridin-2-ol, Enoyl-[acyl-carrier-protein] reductase [NADPH], NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Weinrich, J.D, Eltschkner, S, Schiebel, J, Kehrein, J, Le, T.A, Davoodi, S, Merget, B, Tonge, P.J, Engels, B, Sotriffer, C.A, Kisker, C. | | Deposit date: | 2020-04-27 | | Release date: | 2021-03-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | A Long Residence Time Enoyl-Reductase Inhibitor Explores an Extended Binding Region with Isoenzyme-Dependent Tautomer Adaptation and Differential Substrate-Binding Loop Closure.
Acs Infect Dis., 7, 2021
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5FLJ
 | | enzyme-substrate-dioxygen complex of Ni-quercetinase | | Descriptor: | 3,5,7,3',4'-PENTAHYDROXYFLAVONE, DIMETHYL SULFOXIDE, NICKEL (II) ION, ... | | Authors: | Jeoung, J.-H, Nianios, D, Fetzner, S, Dobbek, H. | | Deposit date: | 2015-10-26 | | Release date: | 2016-06-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.818 Å) | | Cite: | Quercetin 2,4-Dioxygenase Activates Dioxygen in a Side-on O2 -Ni Complex.
Angew.Chem.Int.Ed.Engl., 55, 2016
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5FLI
 | | enzyme-substrate complex of Ni-quercetinase | | Descriptor: | 3,5,7,3',4'-PENTAHYDROXYFLAVONE, NICKEL (II) ION, QUERCETINASE QUED | | Authors: | Jeoung, J.-H, Nianios, D, Fetzner, S, Dobbek, H. | | Deposit date: | 2015-10-26 | | Release date: | 2016-06-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Quercetin 2,4-Dioxygenase Activates Dioxygen in a Side-On O2-Ni Complex.
Angew. Chem. Int. Ed. Engl., 55, 2016
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6H03
 | | OPEN CONFORMATION OF THE MEMBRANE ATTACK COMPLEX | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C5,Complement C5, ... | | Authors: | Menny, A, Serna, M, Boyd, C.M, Gardner, S, Joseph, A.P, Topf, M, Bubeck, D. | | Deposit date: | 2018-07-06 | | Release date: | 2018-12-19 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (5.6 Å) | | Cite: | CryoEM reveals how the complement membrane attack complex ruptures lipid bilayers.
Nat Commun, 9, 2018
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6H04
 | | Closed conformation of the Membrane Attack Complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C5,Complement C5, ... | | Authors: | Menny, A, Serna, M, Boyd, C.M, Gardner, S, Joseph, A.P, Topf, M, Bubeck, D. | | Deposit date: | 2018-07-06 | | Release date: | 2018-12-19 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (5.6 Å) | | Cite: | CryoEM reveals how the complement membrane attack complex ruptures lipid bilayers.
Nat Commun, 9, 2018
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5EKE
 | | Structure of the polyisoprenyl-phosphate glycosyltransferase GtrB (F215A mutant) | | Descriptor: | MAGNESIUM ION, URIDINE-5'-DIPHOSPHATE, Uncharacterized glycosyltransferase sll0501 | | Authors: | Ardiccioni, C, Clarke, O.B, Tomasek, D, Banerjee, S, Rajashankar, K.R, Liu, Q, Shapiro, L, Mancia, F, New York Consortium on Membrane Protein Structure (NYCOMPS) | | Deposit date: | 2015-11-03 | | Release date: | 2016-01-06 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3.001 Å) | | Cite: | Structure of the polyisoprenyl-phosphate glycosyltransferase GtrB and insights into the mechanism of catalysis.
Nat Commun, 7, 2016
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5EGY
 | | Structure of ligand free human DPP3 in closed form. | | Descriptor: | Dipeptidyl peptidase 3, MAGNESIUM ION, ZINC ION | | Authors: | Kumar, P, Reithofer, V, Reisinger, M, Pavkov-Keller, T, Wallner, S, Macheroux, P, Gruber, K. | | Deposit date: | 2015-10-27 | | Release date: | 2016-04-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.741 Å) | | Cite: | Substrate complexes of human dipeptidyl peptidase III reveal the mechanism of enzyme inhibition.
Sci Rep, 6, 2016
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5EHH
 | | Structure of human DPP3 in complex with endomorphin-2. | | Descriptor: | Dipeptidyl peptidase 3, Endomorphin-2, MAGNESIUM ION, ... | | Authors: | Kumar, P, Reithofer, V, Reisinger, M, Pavkov-Keller, T, Wallner, S, Macheroux, P, Gruber, K. | | Deposit date: | 2015-10-28 | | Release date: | 2016-04-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Substrate complexes of human dipeptidyl peptidase III reveal the mechanism of enzyme inhibition.
Sci Rep, 6, 2016
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5E3C
 | | Structure of human DPP3 in complex with hemorphin like opioid peptide IVYPW | | Descriptor: | Dipeptidyl peptidase 3, IVYPW, MAGNESIUM ION, ... | | Authors: | Kumar, P, Reithofer, V, Reisinger, M, Pavkov-Keller, T, Wallner, S, Macheroux, P, Gruber, K. | | Deposit date: | 2015-10-02 | | Release date: | 2016-04-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.765 Å) | | Cite: | Substrate complexes of human dipeptidyl peptidase III reveal the mechanism of enzyme inhibition.
Sci Rep, 6, 2016
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