4ZG3
 
 | | In-vacuum long-wavelength crystallography | | Descriptor: | GLYCEROL, L(+)-TARTARIC ACID, SODIUM ION, ... | | Authors: | Wagner, A, Duman, R, Henderson, K, Mykhaylyk, V. | | Deposit date: | 2015-04-22 | | Release date: | 2016-03-09 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | In-vacuum long-wavelength macromolecular crystallography.
Acta Crystallogr D Struct Biol, 72, 2016
|
|
2VJZ
 | | Crystal structure form ultalente insulin microcrystals | | Descriptor: | CHLORIDE ION, INSULIN A CHAIN, INSULIN B CHAIN, ... | | Authors: | Wagner, A, Diez, J, Schulze-Briese, C, Schluckebier, G. | | Deposit date: | 2007-12-14 | | Release date: | 2008-09-16 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of Ultralente-A Microcrystalline Insulin Suspension.
Proteins, 74, 2009
|
|
2VK0
 | | Crystal structure form ultalente insulin microcrystals | | Descriptor: | 4-HYDROXY-BENZOIC ACID METHYL ESTER, INSULIN A CHAIN, INSULIN B CHAIN, ... | | Authors: | Wagner, A, Diez, J, Schulze-Briese, C, Schluckebier, G. | | Deposit date: | 2007-12-14 | | Release date: | 2008-09-16 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structure of Ultralente--A Microcrystalline Insulin Suspension.
Proteins, 74, 2009
|
|
9DA5
 | | Crystal structure of human DNPH1 bound to inhibitor 2c | | Descriptor: | 5-hydroxymethyl-dUMP N-hydrolase, [(3R,4R)-4-hydroxy-1-{[5-(hydroxymethyl)pyridin-3-yl]methyl}pyrrolidin-3-yl]methyl dihydrogen phosphate | | Authors: | Wagner, A.G, Schramm, V.L, Almo, S.C, Ghosh, A. | | Deposit date: | 2024-08-21 | | Release date: | 2025-02-05 | | Last modified: | 2025-02-26 | | Method: | X-RAY DIFFRACTION (2.82 Å) | | Cite: | Transition State Analogs of Human DNPH1 Reveal Two Electrophile Migration Mechanisms.
J.Med.Chem., 68, 2025
|
|
9DA3
 | | Crystal structure of human DNPH1 bound to inhibitor 2a | | Descriptor: | 5-hydroxymethyl-dUMP N-hydrolase, [(3R,4R)-4-hydroxy-1-{[5-(hydroxymethyl)-6-oxo-1,6-dihydropyridin-3-yl]methyl}pyrrolidin-3-yl]methyl dihydrogen phosphate | | Authors: | Wagner, A.G, Schramm, V.L, Almo, S.C, Ghosh, A. | | Deposit date: | 2024-08-21 | | Release date: | 2025-02-05 | | Last modified: | 2025-02-26 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Transition State Analogs of Human DNPH1 Reveal Two Electrophile Migration Mechanisms.
J.Med.Chem., 68, 2025
|
|
9DA4
 | | Crystal structure of human DNPH1 bound to inhibitor 2b | | Descriptor: | 5-hydroxymethyl-dUMP N-hydrolase, {(3R,4R)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-hydroxypyrrolidin-3-yl}methyl dihydrogen phosphate | | Authors: | Wagner, A.G, Schramm, V.L, Almo, S.C, Ghosh, A. | | Deposit date: | 2024-08-21 | | Release date: | 2025-02-05 | | Last modified: | 2025-02-26 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Transition State Analogs of Human DNPH1 Reveal Two Electrophile Migration Mechanisms.
J.Med.Chem., 68, 2025
|
|
9DA2
 | | Crystal structure of human DNPH1 bound to inhibitor 1b | | Descriptor: | 1,2-ETHANEDIOL, 1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-5-(hydroxymethyl)pyrimidine-2,4(1H,3H)-dione, 5-hydroxymethyl-dUMP N-hydrolase, ... | | Authors: | Wagner, A.G, Schramm, V.L, Almo, S.C, Ghosh, A. | | Deposit date: | 2024-08-21 | | Release date: | 2025-02-05 | | Last modified: | 2025-02-26 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | Transition State Analogs of Human DNPH1 Reveal Two Electrophile Migration Mechanisms.
J.Med.Chem., 68, 2025
|
|
9DA6
 | | Crystal structure of human DNPH1 bound to inhibitor 3a | | Descriptor: | (3R,4R)-3-hydroxy-4-[(phosphonooxy)methyl]pyrrolidinium, 1,2-ETHANEDIOL, 5-hydroxymethyl-dUMP N-hydrolase | | Authors: | Wagner, A.G, Schramm, V.L, Almo, S.C, Ghosh, A. | | Deposit date: | 2024-08-21 | | Release date: | 2025-02-05 | | Last modified: | 2025-02-26 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Transition State Analogs of Human DNPH1 Reveal Two Electrophile Migration Mechanisms.
J.Med.Chem., 68, 2025
|
|
9DA1
 | | Crystal structure of human DNPH1 bound to inhibitor 1a | | Descriptor: | 5-(hydroxymethyl)uridine 5'-(dihydrogen phosphate), 5-hydroxymethyl-dUMP N-hydrolase | | Authors: | Wagner, A.G, Schramm, V.L, Almo, S.C, Ghosh, A. | | Deposit date: | 2024-08-21 | | Release date: | 2025-02-05 | | Last modified: | 2025-02-26 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Transition State Analogs of Human DNPH1 Reveal Two Electrophile Migration Mechanisms.
J.Med.Chem., 68, 2025
|
|
7O56
 | | X-ray Structure of Interferon Regulatory Factor 4 DNA binding domain bound to an interferon-stimulated response element solved by Phosphorus and Sulphur SAD methods | | Descriptor: | DNA (5'-D(P*AP*AP*TP*AP*AP*AP*AP*GP*AP*AP*AP*CP*CP*GP*AP*AP*AP*GP*TP*AP*A)-3'), DNA (5'-D(P*TP*TP*TP*AP*CP*TP*TP*TP*CP*GP*GP*TP*TP*TP*CP*TP*TP*TP*TP*AP*T)-3'), Interferon regulatory factor 4 | | Authors: | El Omari, K, Agnarelli, A, Duman, R, Wagner, A, Mancini, E.J. | | Deposit date: | 2021-04-07 | | Release date: | 2021-05-12 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Phosphorus and sulfur SAD phasing of the nucleic acid-bound DNA-binding domain of interferon regulatory factor 4.
Acta Crystallogr.,Sect.F, 77, 2021
|
|
8R79
 | | The D2 domain of human DTX3L | | Descriptor: | E3 ubiquitin-protein ligase DTX3L, SULFATE ION | | Authors: | Vela-Rodriguez, C, Lehtio, L, Maksimainen, M, Duman, R, Wagner, A, Glumoff, T. | | Deposit date: | 2023-11-24 | | Release date: | 2023-12-27 | | Last modified: | 2025-03-05 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Oligomerization mediated by the D2 domain of DTX3L is critical for DTX3L-PARP9 reading function of mono-ADP-ribosylated androgen receptor.
Protein Sci., 33, 2024
|
|
6DZ1
 | | Studies of Ion Transport in K+ Channels | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Potassium channel protein | | Authors: | Langan, P.S, Vandavasi, V.G, Weiss, K.L, Wagner, A, Duman, R, El Omari, K, Afonine, P.V, Coates, L. | | Deposit date: | 2018-07-02 | | Release date: | 2018-11-14 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Anomalous X-ray diffraction studies of ion transport in K+channels.
Nat Commun, 9, 2018
|
|
5OSN
 | | Crystal Structure of Bovine Enterovirus 2 determined with Serial Femtosecond X-ray Crystallography | | Descriptor: | Capsid protein, GLUTAMIC ACID, POTASSIUM ION, ... | | Authors: | Roedig, P, Ginn, H.M, Pakendorf, T, Sutton, G, Harlos, K, Walter, T.S, Meyer, J, Fischer, P, Duman, R, Vartiainen, I, Reime, B, Warmer, M, Brewster, A.S, Young, I.D, Michels-Clark, T, Sauter, N.K, Kotecha, A, Kelly, J, Rowlands, D.J, Sikorsky, M, Nelson, S, Damiani, D.S, Alonso-Mori, R, Ren, J, Fry, E.E, David, C, Stuart, D.I, Wagner, A, Meents, A. | | Deposit date: | 2017-08-17 | | Release date: | 2017-08-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | High-speed fixed-target serial virus crystallography.
Nat. Methods, 14, 2017
|
|
4X35
 | | A micro-patterned silicon chip as sample holder for macromolecular crystallography experiments with minimal background scattering | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Roedig, P, Vartiainen, I, Duman, R, Panneerselvam, S, Stuebe, N, Lorbeer, O, Warmer, M, Sutton, G, Stuart, D.I, Weckert, E, David, C, Wagner, A, Meents, A. | | Deposit date: | 2014-11-27 | | Release date: | 2015-06-10 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | A micro-patterned silicon chip as sample holder for macromolecular crystallography experiments with minimal background scattering.
Sci Rep, 5, 2015
|
|
4X3B
 | | A micro-patterned silicon chip as sample holder for macromolecular crystallography experiments with minimal background scattering | | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | | Authors: | Roedig, P, Vartiainen, I, Duman, R, Panneerselvam, S, Stuebe, N, Lorbeer, O, Warmer, M, Sutton, G, Stuart, D.I, Weckert, E, David, C, Wagner, A, Meents, A. | | Deposit date: | 2014-11-28 | | Release date: | 2015-06-10 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A micro-patterned silicon chip as sample holder for macromolecular crystallography experiments with minimal background scattering.
Sci Rep, 5, 2015
|
|
8BWD
 | | Crystal structure of human Twisted gastrulation protein homolog 1 (TWSG1), crystal form 1 | | Descriptor: | SULFATE ION, Twisted gastrulation protein homolog 1 | | Authors: | Malinauskas, T, Rudolf, A.F, Moore, G, Eggington, H, Belnoue-Davis, H, El Omari, K, Woolley, R.E, Griffiths, S.C, Duman, R, Wagner, A, Leedham, S.J, Baldock, C, Ashe, H, Siebold, C. | | Deposit date: | 2022-12-06 | | Release date: | 2024-06-19 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.63 Å) | | Cite: | Molecular mechanism of BMP signal control by Twisted gastrulation.
Nat Commun, 15, 2024
|
|
8BWI
 | | Crystal structure of human Twisted gastrulation protein homolog 1 (TWSG1), crystal form 2 | | Descriptor: | Twisted gastrulation protein homolog 1 | | Authors: | Malinauskas, T, Rudolf, A.F, Moore, G, Eggington, H, Belnoue-Davis, H, El Omari, K, Woolley, R.E, Griffiths, S.C, Duman, R, Wagner, A, Leedham, S.J, Baldock, C, Ashe, H, Siebold, C. | | Deposit date: | 2022-12-06 | | Release date: | 2024-06-19 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Molecular mechanism of BMP signal control by Twisted gastrulation.
Nat Commun, 15, 2024
|
|
8BWN
 | | Crystal structure of human Twisted gastrulation protein homolog 1 (TWSG1) in complex with human Growth Differentiation Factor 5 (GDF5) and calcium, long-wavelength X-ray dataset (4010 eV) | | Descriptor: | CALCIUM ION, Growth/differentiation factor 5, Twisted gastrulation protein homolog 1 | | Authors: | Malinauskas, T, Rudolf, A.F, Moore, G, Eggington, H, Belnoue-Davis, H, El Omari, K, Woolley, R.E, Griffiths, S.C, Duman, R, Wagner, A, Leedham, S.J, Baldock, C, Ashe, H, Siebold, C. | | Deposit date: | 2022-12-07 | | Release date: | 2024-06-19 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | Molecular mechanism of BMP signal control by Twisted gastrulation.
Nat Commun, 15, 2024
|
|
8BWL
 | | Crystal structure of human Twisted gastrulation protein homolog 1 (TWSG1) in complex with human Growth Differentiation factor 5 (GDF5) and calcium | | Descriptor: | CALCIUM ION, Growth/differentiation factor 5, Twisted gastrulation protein homolog 1 | | Authors: | Malinauskas, T, Rudolf, A.F, Moore, G, Eggington, H, Belnoue-Davis, H, El Omari, K, Woolley, R.E, Griffiths, S.C, Duman, R, Wagner, A, Leedham, S.J, Baldock, C, Ashe, H, Siebold, C. | | Deposit date: | 2022-12-06 | | Release date: | 2024-06-19 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Molecular mechanism of BMP signal control by Twisted gastrulation.
Nat Commun, 15, 2024
|
|
8BWM
 | | Crystal structure of human Twisted gastrulation protein homolog 1 (TWSG1) in complex with human Growth Differentiation factor 5 (GDF5) and calcium, long-wavelength X-ray dataset (4042 eV) | | Descriptor: | CALCIUM ION, Growth/differentiation factor 5, Twisted gastrulation protein homolog 1 | | Authors: | Malinauskas, T, Rudolf, A.F, Moore, G, Eggington, H, Belnoue-Davis, H, El Omari, K, Woolley, R.E, Griffiths, S.C, Duman, R, Wagner, A, Leedham, S.J, Baldock, C, Ashe, H, Siebold, C. | | Deposit date: | 2022-12-07 | | Release date: | 2024-06-19 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Molecular mechanism of BMP signal control by Twisted gastrulation.
Nat Commun, 15, 2024
|
|
8BWA
 | | Crystal structure of human Twisted gastrulation protein homolog 1 (TWSG1) in complex with platinum | | Descriptor: | PLATINUM (II) ION, Twisted gastrulation protein homolog 1 | | Authors: | Malinauskas, T, Rudolf, A.F, Moore, G, Eggington, H, Belnoue-Davis, H, El Omari, K, Woolley, R.E, Griffiths, S.C, Duman, R, Wagner, A, Leedham, S.J, Baldock, C, Ashe, H, Siebold, C. | | Deposit date: | 2022-12-06 | | Release date: | 2024-06-19 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (3.61 Å) | | Cite: | Molecular mechanism of BMP signal control by Twisted gastrulation.
Nat Commun, 15, 2024
|
|
6OWY
 | | Spy H96L:Im7 K20pI-Phe complex; multiple anomalous datasets contained herein for element identification | | Descriptor: | CHLORIDE ION, IMIDAZOLE, IODIDE ION, ... | | Authors: | Rocchio, S, Duman, R, El Omari, K, Mykhaylyk, V, Yan, Z, Wagner, A, Bardwell, J.C.A, Horowitz, S. | | Deposit date: | 2019-05-12 | | Release date: | 2019-05-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Identifying dynamic, partially occupied residues using anomalous scattering.
Acta Crystallogr D Struct Biol, 75, 2019
|
|
6OWZ
 | | Spy H96L:Im7 L19pI-Phe complex; multiple anomalous datasets contained herein for element identification | | Descriptor: | CHLORIDE ION, IMIDAZOLE, IODIDE ION, ... | | Authors: | Rocchio, S, Duman, R, El Omari, K, Mykhaylyk, V, Yan, Z, Wagner, A, Bardwell, J.C.A, Horowitz, S. | | Deposit date: | 2019-05-12 | | Release date: | 2019-05-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Identifying dynamic, partially occupied residues using anomalous scattering.
Acta Crystallogr D Struct Biol, 75, 2019
|
|
8CKM
 | | Semaphorin-5A TSR 3-4 domains | | Descriptor: | Semaphorin-5A | | Authors: | Nagy, G.N, Duman, R, Harlos, K, El Omari, K, Wagner, A, Jones, E.Y. | | Deposit date: | 2023-02-15 | | Release date: | 2024-02-28 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | Structure and function of Semaphorin-5A glycosaminoglycan interactions.
Nat Commun, 15, 2024
|
|
6OWX
 | | Spy H96L:Im7 L18pI-Phe complex; multiple anomalous datasets contained herein for element identification | | Descriptor: | CHLORIDE ION, IMIDAZOLE, IODIDE ION, ... | | Authors: | Rocchio, S, Duman, R, El Omari, K, Mykhaylyk, V, Yan, Z, Wagner, A, Bardwell, J.C.A, Horowitz, S. | | Deposit date: | 2019-05-12 | | Release date: | 2019-05-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Identifying dynamic, partially occupied residues using anomalous scattering.
Acta Crystallogr D Struct Biol, 75, 2019
|
|
