8SVU
 
 | | Crystal structure of the L428V mutant of pregnane X receptor ligand binding domain in apo form | | Descriptor: | GLYCEROL, Nuclear receptor subfamily 1 group I member 2, Nuclear receptor coactivator 1 fusion protein,Nuclear receptor coactivator 1 | | Authors: | Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T. | | Deposit date: | 2023-05-17 | | Release date: | 2024-05-15 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR.
Nat Commun, 15, 2024
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8SVR
 | | Crystal structure of pregnane X receptor ligand binding domain in complex with SJPYT-326 | | Descriptor: | (1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-5-methyl-1-(2,4,5-trimethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide, DIMETHYL SULFOXIDE, Pregnane X receptor ligand binding domain fused to SRC-1 coactivator peptide | | Authors: | Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T. | | Deposit date: | 2023-05-17 | | Release date: | 2024-05-15 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.92 Å) | | Cite: | Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR.
Nat Commun, 15, 2024
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8SVS
 | | Crystal structure of pregnane X receptor ligand binding domain in complex with SJPYT-328 | | Descriptor: | (1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-1-(2,4-dimethoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide, Nuclear receptor subfamily 1 group I member 2, Nuclear receptor coactivator 1 fusion protein,Nuclear receptor coactivator 1 | | Authors: | Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T. | | Deposit date: | 2023-05-17 | | Release date: | 2024-05-15 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR.
Nat Commun, 15, 2024
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8SVT
 | | Crystal structure of pregnane X receptor ligand binding domain in complex with SJPYT-331 | | Descriptor: | DIMETHYL SULFOXIDE, Nuclear receptor subfamily 1 group I member 2, Nuclear receptor coactivator 1 fusion protein,Nuclear receptor coactivator 1, ... | | Authors: | Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T. | | Deposit date: | 2023-05-17 | | Release date: | 2024-05-15 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR.
Nat Commun, 15, 2024
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8SVQ
 | | Crystal structure of pregnane X receptor ligand binding domain in complex with SJPYT-312 | | Descriptor: | (1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide, DIMETHYL SULFOXIDE, Pregnane X receptor ligand binding domain fused to SRC-1 coactivator peptide | | Authors: | Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T. | | Deposit date: | 2023-05-17 | | Release date: | 2024-05-15 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR.
Nat Commun, 15, 2024
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8SVX
 | | Crystal structure of the L428V mutant of pregnane X receptor ligand binding domain in complex with SJPYT-331 | | Descriptor: | DIMETHYL SULFOXIDE, Nuclear receptor subfamily 1 group I member 2, Nuclear receptor coactivator 1 fusion protein,Nuclear receptor coactivator 1, ... | | Authors: | Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T. | | Deposit date: | 2023-05-17 | | Release date: | 2024-05-15 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR.
Nat Commun, 15, 2024
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8SVO
 | | Crystal structure of pregnane X receptor ligand binding domain in complex with SJPYT-310 | | Descriptor: | (1P)-N-(5-tert-butyl-2-{[(2S)-pentan-2-yl]oxy}phenyl)-1-(2-methoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide, DIMETHYL SULFOXIDE, Pregnane X receptor ligand binding domain fused to SRC-1 coactivator peptide | | Authors: | Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T. | | Deposit date: | 2023-05-17 | | Release date: | 2024-05-15 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR.
Nat Commun, 15, 2024
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8SVN
 | | Crystal structure of the apo form of pregnane X receptor ligand binding domain | | Descriptor: | Pregnane X receptor ligand binding domain fused to SRC-1 coactivator peptide | | Authors: | Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T. | | Deposit date: | 2023-05-17 | | Release date: | 2024-05-15 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR.
Nat Commun, 15, 2024
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3CIQ
 | | A regulatable switch mediates self-association in an immunoglobulin fold | | Descriptor: | Beta-2-microglobulin, COPPER (II) ION, L(+)-TARTARIC ACID | | Authors: | Calabrese, M.F, Eakin, C.M, Wang, J.M, Miranker, A.D. | | Deposit date: | 2008-03-11 | | Release date: | 2008-09-02 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | A regulatable switch mediates self-association in an immunoglobulin fold.
Nat.Struct.Mol.Biol., 15, 2008
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2WUH
 | | Crystal structure of the DDR2 discoidin domain bound to a triple- helical collagen peptide | | Descriptor: | COLLAGEN PEPTIDE, DISCOIDIN DOMAIN RECEPTOR 2 | | Authors: | Carafoli, F, Bihan, D, Stathopoulos, S, Konitsiotis, A.D, Kvansakul, M, Farndale, R.W, Leitinger, B, Hohenester, E. | | Deposit date: | 2009-10-05 | | Release date: | 2009-12-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystallographic Insight Into Collagen Recognition by Discoidin Domain Receptor 2
Structure, 17, 2009
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6O5Z
 | | Crystal Structure of the human MLKL pseudokinase domain bound to compound 2 | | Descriptor: | 1,2-ETHANEDIOL, 1-[2-fluoranyl-5-(trifluoromethyl)phenyl]-3-[4-[methyl-[2-[(3-sulfamoylphenyl)amino]pyrimidin-4-yl]amino]phenyl]urea, Mixed lineage kinase domain-like protein | | Authors: | Cowan, A.D, Murphy, J.M, Pierotti, C.L, Lessene, G.L, Czabotar, P.E. | | Deposit date: | 2019-03-04 | | Release date: | 2020-09-16 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.285 Å) | | Cite: | Potent Inhibition of Necroptosis by Simultaneously Targeting Multiple Effectors of the Pathway.
Acs Chem.Biol., 15, 2020
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6Q39
 | | Complex of Arginase 2 with Example 49 | | Descriptor: | 3-[(3~{S},4~{R})-4-azanyl-4-carboxy-1-[[(2~{S})-piperidin-2-yl]methyl]pyrrolidin-3-yl]propyl-tris(oxidanyl)boranuide, Arginase-2, mitochondrial, ... | | Authors: | Podjarny, A.D, Van Zandt, M.C, Cousido-Siah, A. | | Deposit date: | 2018-12-03 | | Release date: | 2019-08-28 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.213 Å) | | Cite: | Discovery ofN-Substituted 3-Amino-4-(3-boronopropyl)pyrrolidine-3-carboxylic Acids as Highly Potent Third-Generation Inhibitors of Human Arginase I and II.
J.Med.Chem., 62, 2019
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6Q37
 | | Complex of Arginase 2 with Example 23 | | Descriptor: | 1,2-ETHANEDIOL, 3-[(3~{S},4~{R})-4-azanyl-4-carboxy-pyrrolidin-3-yl]propyl-tris(oxidanyl)boranuide, Arginase-2, ... | | Authors: | Podjarny, A.D, Van Zandt, M.C, Cousido-Siah, A. | | Deposit date: | 2018-12-03 | | Release date: | 2019-08-28 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.211 Å) | | Cite: | Discovery ofN-Substituted 3-Amino-4-(3-boronopropyl)pyrrolidine-3-carboxylic Acids as Highly Potent Third-Generation Inhibitors of Human Arginase I and II.
J.Med.Chem., 62, 2019
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1APL
 | | CRYSTAL STRUCTURE OF A MAT-ALPHA2 HOMEODOMAIN-OPERATOR COMPLEX SUGGESTS A GENERAL MODEL FOR HOMEODOMAIN-DNA INTERACTIONS | | Descriptor: | DNA (5'-D(*AP*CP*AP*TP*GP*TP*AP*AP*TP*TP*CP*AP*TP*TP*TP*AP*C P*AP*CP*GP*C)-3'), DNA (5'-D(*TP*GP*CP*GP*TP*GP*TP*AP*AP*AP*TP*GP*AP*AP*TP*TP*A P*CP*AP*TP*G)-3'), PROTEIN (MAT-ALPHA2 HOMEODOMAIN) | | Authors: | Wolberger, C, Vershon, A.K, Liu, B, Johnson, A.D, Pabo, C.O. | | Deposit date: | 1993-10-04 | | Release date: | 1993-10-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of a MAT alpha 2 homeodomain-operator complex suggests a general model for homeodomain-DNA interactions.
Cell(Cambridge,Mass.), 67, 1991
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1PB3
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1PB1
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1CG2
 | | CARBOXYPEPTIDASE G2 | | Descriptor: | CARBOXYPEPTIDASE G2, ZINC ION | | Authors: | Rowsell, S, Pauptit, R.A, Tucker, A.D, Melton, R.G, Blow, D.M, Brick, P. | | Deposit date: | 1996-12-20 | | Release date: | 1997-12-24 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of carboxypeptidase G2, a bacterial enzyme with applications in cancer therapy.
Structure, 5, 1997
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1PSZ
 | | PNEUMOCOCCAL SURFACE ANTIGEN PSAA | | Descriptor: | PROTEIN (SURFACE ANTIGEN PSAA), ZINC ION | | Authors: | Lawrence, M.C, Pilling, P.A, Epa, V.C, Berry, A.M, Ogunniyi, A.D, Paton, J.C. | | Deposit date: | 1998-10-13 | | Release date: | 2000-04-19 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The crystal structure of pneumococcal surface antigen PsaA reveals a metal-binding site and a novel structure for a putative ABC-type binding protein.
Structure, 6, 1998
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1PV0
 | | Structure of the Sda antikinase | | Descriptor: | Sda | | Authors: | Rowland, S.L, Burkholder, W.F, Maciejewski, M.W, Grossman, A.D, King, G.F. | | Deposit date: | 2003-06-26 | | Release date: | 2004-04-13 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structure and mechanism of Sda: an inhibitor of the histidine kinases that regulate initiation of sporulation in Bacillus subtilis
Mol.Cell, 13, 2004
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1DB6
 | | SOLUTION STRUCTURE OF THE DNA APTAMER 5'-CGACCAACGTGTCGCCTGGTCG-3' COMPLEXED WITH ARGININAMIDE | | Descriptor: | ARGININEAMIDE, DNA | | Authors: | Robertson, S.A, Harada, K, Frankel, A.D, Wemmer, D.E. | | Deposit date: | 1999-11-02 | | Release date: | 2000-02-03 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structure determination and binding kinetics of a DNA aptamer-argininamide complex.
Biochemistry, 39, 2000
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1D89
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1K5M
 | | Crystal Structure of a Human Rhinovirus Type 14:Human Immunodeficiency Virus Type 1 V3 Loop Chimeric Virus MN-III-2 | | Descriptor: | CHIMERA OF HRV14 COAT PROTEIN VP2 (P1B) AND the V3 loop of HIV-1 gp120, COAT PROTEIN VP1 (P1D), COAT PROTEIN VP3 (P1C), ... | | Authors: | Ding, J, Smith, A.D, Geisler, S.C, Ma, X, Arnold, G.F, Arnold, E. | | Deposit date: | 2001-10-11 | | Release date: | 2002-07-17 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal Structure of a Human Rhinovirus
that Displays Part of the HIV-1 V3 Loop and
Induces Neutralizing Antibodies against
HIV-1
Structure, 10, 2002
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8TSP
 | | Open, inward-facing MsbA structure (OIF1) | | Descriptor: | ATP-binding transport protein MsbA | | Authors: | Yang, B, Zhang, T, Lyu, J, Laganowsky, A.D, Zhao, M. | | Deposit date: | 2023-08-11 | | Release date: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Native mass spectrometry captures snapshots of the MsbA transport cycle
To Be Published
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8TSR
 | | Open, inward-facing MsbA structure (OIF4) | | Descriptor: | ATP-binding transport protein MsbA | | Authors: | Yang, B, Zhang, T, Lyu, J, Laganowsky, A.D, Zhao, M. | | Deposit date: | 2023-08-11 | | Release date: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Native mass spectrometry captures snapshots of the MsbA transport cycle
To Be Published
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8TSS
 | | Open, inward-facing MsbA structure (OIF3) | | Descriptor: | ATP-binding transport protein MsbA | | Authors: | Yang, B, Zhang, T, Lyu, J, Laganowsky, A.D, Zhao, M. | | Deposit date: | 2023-08-11 | | Release date: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Native mass spectrometry captures snapshots of the MsbA transport cycle
To Be Published
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