4Y79
| Factor Xa complex with GTC000406 | Descriptor: | (E)-2-(4-chlorophenyl)-N-{(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}ethenesulfonamide, CALCIUM ION, Coagulation factor X, ... | Authors: | Convery, M.A, Young, R.J, Senger, S, Hamblin, J.N, Chan, C, Toomey, J.R, Watson, N.S. | Deposit date: | 2015-02-13 | Release date: | 2015-09-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Factor Xa inhibitors: S1 binding interactions of a series of N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}sulfonamides. J. Med. Chem., 50, 2007
|
|
7ORX
| |
6N7B
| Structure of the human JAK1 kinase domain with compound 38 | Descriptor: | GLYCEROL, N-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-1H-pyrazolo[4,3-c]pyridine-7-carboxamide, Tyrosine-protein kinase JAK1 | Authors: | Lupardus, P.J, Brown, D. | Deposit date: | 2018-11-27 | Release date: | 2019-04-24 | Last modified: | 2019-05-15 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling. Bioorg.Med.Chem.Lett., 29, 2019
|
|
6N79
| Structure of the human JAK1 kinase domain with compound 20 | Descriptor: | GLYCEROL, N-{5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide, Tyrosine-protein kinase JAK1 | Authors: | Lupardus, P.J, Brown, D. | Deposit date: | 2018-11-27 | Release date: | 2019-04-24 | Last modified: | 2019-05-15 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling. Bioorg.Med.Chem.Lett., 29, 2019
|
|
6N7C
| Structure of the human JAK1 kinase domain with compound 56 | Descriptor: | GLYCEROL, N-[5-(3-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, Tyrosine-protein kinase JAK1 | Authors: | Lupardus, P.J, Brown, D. | Deposit date: | 2018-11-27 | Release date: | 2019-04-24 | Last modified: | 2019-05-15 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling. Bioorg.Med.Chem.Lett., 29, 2019
|
|
6N78
| Structure of the human JAK1 kinase domain with compound 21 | Descriptor: | GLYCEROL, N-{3-[5-chloro-2-(difluoromethoxy)phenyl]-1-methyl-1H-pyrazol-4-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide, Tyrosine-protein kinase JAK1 | Authors: | Lupardus, P.J, Brown, D. | Deposit date: | 2018-11-27 | Release date: | 2019-04-24 | Last modified: | 2019-05-15 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling. Bioorg.Med.Chem.Lett., 29, 2019
|
|
6N7A
| Structure of the human JAK1 kinase domain with compound 39 | Descriptor: | GLYCEROL, N-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-2-methyl-2H-pyrazolo[4,3-c]pyridine-7-carboxamide, Tyrosine-protein kinase JAK1 | Authors: | Lupardus, P.J, Brown, D. | Deposit date: | 2018-11-27 | Release date: | 2019-04-24 | Last modified: | 2019-05-15 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling. Bioorg.Med.Chem.Lett., 29, 2019
|
|
6N77
| Structure of the human JAK1 kinase domain with compound 15 | Descriptor: | GLYCEROL, N-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, Tyrosine-protein kinase JAK1 | Authors: | Lupardus, P.J, Brown, D. | Deposit date: | 2018-11-27 | Release date: | 2019-04-24 | Last modified: | 2019-05-15 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling. Bioorg.Med.Chem.Lett., 29, 2019
|
|
6N7D
| Structure of the human JAK1 kinase domain with compound 54 | Descriptor: | GLYCEROL, N-[5-(6-methoxy-1H-indazol-5-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, Tyrosine-protein kinase JAK1 | Authors: | Lupardus, P.J, Brown, D. | Deposit date: | 2018-11-27 | Release date: | 2019-04-24 | Last modified: | 2019-05-15 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling. Bioorg.Med.Chem.Lett., 29, 2019
|
|
2ZB0
| Crystal structure of P38 in complex with biphenyl amide inhibitor | Descriptor: | GLYCEROL, Mitogen-activated protein kinase 14, N-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)-4-biphenylcarboxamide | Authors: | Somers, D.O. | Deposit date: | 2007-10-13 | Release date: | 2008-01-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Biphenyl amide p38 kinase inhibitors 1: Discovery and binding mode Bioorg.Med.Chem.Lett., 18, 2008
|
|
2CJI
| Crystal structure of a Human Factor Xa inhibitor complex | Descriptor: | 6-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-(4-MORPHOLINYL)-2-OXO ETHYL]-2-OXO-3-PYRROLIDINYL}-2-NAPHTHALENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | Authors: | Watson, N.S, Campbell, M, Chan, C, Convery, M.A, Hamblin, J.N, Kelly, H.A, King, N.P, Mason, A.M, Mitchell, C, Patel, V.K, Senger, S, Shah, G.P, Weston, H.E, Whitworth, C, Young, R.J. | Deposit date: | 2006-04-03 | Release date: | 2006-05-17 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Design and Synthesis of Orally Active Pyrrolidin-2-One-Based Factor Xa Inhibitors Bioorg.Med.Chem.Lett., 16, 2006
|
|
7YXW
| Structure of the p22phox A200G mutant in complex with p47phox peptide | Descriptor: | Cytochrome b-245 light chain, Neutrophil cytosol factor 1 | Authors: | Cukier, C.D, Vuillard, L.M, Komjati, B, Szlavik, Z. | Deposit date: | 2022-02-16 | Release date: | 2022-03-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Targeting NOX2 via p47/phox-p22/phox Inhibition with Novel Triproline Mimetics Acs Med.Chem.Lett., 13, 2022
|
|
1POS
| CRYSTAL STRUCTURE OF A NOVEL DISULFIDE-LINKED "TREFOIL" MOTIF FOUND IN A LARGE FAMILY OF PUTATIVE GROWTH FACTORS | Descriptor: | PORCINE PANCREATIC SPASMOLYTIC POLYPEPTIDE | Authors: | De, A, Brown, D, Gorman, M, Carr, M, Sanderson, M.R, Freemont, P.S. | Deposit date: | 1993-10-08 | Release date: | 1994-01-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of a disulfide-linked "trefoil" motif found in a large family of putative growth factors. Proc.Natl.Acad.Sci.USA, 91, 1994
|
|
6T5I
| The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with inhibitor of WNT production (IWP)-2 | Descriptor: | DIMETHYL SULFOXIDE, Listeriolysin positive regulatory factor A, SODIUM ION, ... | Authors: | Oelker, M, Grundstrom, C, Blumenthal, A, Sauer-Eriksson, A.E. | Deposit date: | 2019-10-16 | Release date: | 2021-10-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Inhibition of the master regulator of Listeria monocytogenes virulence enables bacterial clearance from spacious replication vacuoles in infected macrophages. Plos Pathog., 18, 2022
|
|
6UQC
| Mouse IgG2a Bispecific Fc | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Wang, F, Tsai, J.C, Davis, J.H, West, S.M, Strop, P. | Deposit date: | 2019-10-18 | Release date: | 2020-01-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Design and characterization of mouse IgG1 and IgG2a bispecific antibodies for use in syngeneic models. Mabs, 12, 2019
|
|
1ABW
| DEOXY RHB1.1 (RECOMBINANT HEMOGLOBIN) | Descriptor: | HEMOGLOBIN-BASED BLOOD SUBSTITUTE, LEUCINE, METHIONINE, ... | Authors: | Kundrot, C.E, Kroeger, K.S. | Deposit date: | 1997-01-29 | Release date: | 1998-06-17 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of a hemoglobin-based blood substitute: insights into the function of allosteric proteins. Structure, 5, 1997
|
|
1C7D
| DEOXY RHB1.2 (RECOMBINANT HEMOGLOBIN) | Descriptor: | PROTEIN (DEOXYHEMOGLOBIN (ALPHA CHAIN)), PROTEIN (DEOXYHEMOGLOBIN (BETA CHAIN)), PROTOPORPHYRIN IX CONTAINING FE | Authors: | Brucker, E.A. | Deposit date: | 2000-02-09 | Release date: | 2000-06-30 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Genetically crosslinked hemoglobin: a structural study. Acta Crystallogr.,Sect.D, 56, 2000
|
|
1C7C
| DEOXY RHB1.1 (RECOMBINANT HEMOGLOBIN) | Descriptor: | PROTEIN (DEOXYHEMOGLOBIN (ALPHA CHAIN)), PROTEIN (DEOXYHEMOGLOBIN (BETA CHAIN)), PROTOPORPHYRIN IX CONTAINING FE | Authors: | Brucker, E.A. | Deposit date: | 2000-02-09 | Release date: | 2000-06-30 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Genetically crosslinked hemoglobin: a structural study. Acta Crystallogr.,Sect.D, 56, 2000
|
|
1C7B
| DEOXY RHB1.0 (RECOMBINANT HEMOGLOBIN) | Descriptor: | PROTEIN (DEOXYHEMOGLOBIN (ALPHA CHAIN)), PROTEIN (DEOXYHEMOGLOBIN (BETA CHAIN)), PROTOPORPHYRIN IX CONTAINING FE | Authors: | Brucker, E.A. | Deposit date: | 2000-02-09 | Release date: | 2000-06-30 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.803 Å) | Cite: | Genetically crosslinked hemoglobin: a structural study. Acta Crystallogr.,Sect.D, 56, 2000
|
|
6QSI
| |
2LDC
| Solution structure of the estrogen receptor-binding stapled peptide SP1 (Ac-HXILHXLLQDS-NH2) | Descriptor: | Estrogen receptor-binding stapled peptide SP1 | Authors: | Phillips, C, Bazin, R, Bent, A, Davies, N, Moore, R, Pannifer, A, Pickford, A, Prior, S, Read, C, Roberts, L, Schade, M, Scott, A, Brown, D, Xu, B, Irving, S. | Deposit date: | 2011-05-20 | Release date: | 2011-07-06 | Last modified: | 2023-11-15 | Method: | SOLUTION NMR | Cite: | Design and structure of stapled peptides binding to estrogen receptors. J.Am.Chem.Soc., 133, 2011
|
|
2LDD
| Solution structure of the estrogen receptor-binding stapled peptide SP6 (Ac-EKHKILXRLLXDS-NH2) | Descriptor: | Estrogen receptor-binding stapled peptide SP6 | Authors: | Phillips, C, Bazin, R, Bent, A, Davies, N, Moore, R, Pannifer, A, Pickford, A, Prior, S, Read, C, Roberts, L, Schade, M, Scott, A, Brown, D, Xu, B, Irving, S. | Deposit date: | 2011-05-21 | Release date: | 2011-07-06 | Last modified: | 2023-11-15 | Method: | SOLUTION NMR | Cite: | Design and structure of stapled peptides binding to estrogen receptors. J.Am.Chem.Soc., 133, 2011
|
|
2LDA
| Solution structure of the estrogen receptor-binding stapled peptide SP2 (Ac-HKXLHQXLQDS-NH2) | Descriptor: | Estrogen receptor-binding stapled peptide SP2 | Authors: | Phillips, C, Bazin, R, Bent, A, Davies, N, Moore, R, Pannifer, A, Pickford, A, Prior, S, Read, C, Roberts, L, Schade, M, Scott, A, Brown, D, Xu, B, Irving, S. | Deposit date: | 2011-05-20 | Release date: | 2011-07-06 | Last modified: | 2023-11-15 | Method: | SOLUTION NMR | Cite: | Design and structure of stapled peptides binding to estrogen receptors. J.Am.Chem.Soc., 133, 2011
|
|
6D22
| |
4TN0
| Crystal Structure of the C-terminal Periplasmic Domain of Phosphoethanolamine Transferase EptC from Campylobacter jejuni | Descriptor: | UPF0141 protein yjdB, ZINC ION | Authors: | Fage, C.D, Brown, D, Boll, J.M, Keatinge-Clay, A.T, Trent, M.S. | Deposit date: | 2014-06-02 | Release date: | 2014-10-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystallographic study of the phosphoethanolamine transferase EptC required for polymyxin resistance and motility in Campylobacter jejuni. Acta Crystallogr.,Sect.D, 70, 2014
|
|