7QTT
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8BWB
| Spider toxin Pha1b (PnTx3-6) from Phoneutria nigriventer targeting CaV2.x calcium channels and TRPA1 channel | Descriptor: | Omega-ctenitoxin-Pn4a | Authors: | Mironov, P.A, Chernaya, E.M, Paramonov, A.S, Shenkarev, Z.O. | Deposit date: | 2022-12-06 | Release date: | 2023-06-21 | Last modified: | 2023-07-05 | Method: | SOLUTION NMR | Cite: | Recombinant Production, NMR Solution Structure, and Membrane Interaction of the Ph alpha 1 beta Toxin, a TRPA1 Modulator from the Brazilian Armed Spider Phoneutria nigriventer . Toxins, 15, 2023
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5JPW
| Molecular basis for protein recognition specificity of the DYNLT1/Tctex1 canonical binding groove. Characterization of the interaction with activin receptor IIB | Descriptor: | Dynein light chain Tctex-type 1,Cytoplasmic dynein 1 intermediate chain 2 | Authors: | Rodriguez-Crespo, I, Merino-Gracia, J, Bruix, M, Zamora-Carreras, H. | Deposit date: | 2016-05-04 | Release date: | 2016-08-17 | Last modified: | 2024-07-03 | Method: | SOLUTION NMR | Cite: | Molecular Basis for the Protein Recognition Specificity of the Dynein Light Chain DYNLT1/Tctex1: CHARACTERIZATION OF THE INTERACTION WITH ACTIVIN RECEPTOR IIB. J.Biol.Chem., 291, 2016
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7RJ8
| CRYSTAL STRUCTURE OF AP2 ASSOCIATED KINASE 1 ISOFORM 1 COMPLEXED WITH LIGAND (2R)-2-AMINO-N-[3-(DIFLUOROM ETHOXY)-4-(1,3-OXAZOL-5-YL)PHENYL]-4-METHYLPENTANAMIDE | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 5-[(4-aminopiperidin-1-yl)methyl]-N-{3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]phenyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine, AP2-associated protein kinase 1, ... | Authors: | Pokross, M, Muckelbauer, J. | Deposit date: | 2021-07-20 | Release date: | 2022-02-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Bicyclic Heterocyclic Replacement of an Aryl Amide Leading to Potent and Kinase-Selective Adaptor Protein 2-Associated Kinase 1 Inhibitors. J.Med.Chem., 65, 2022
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7RJ6
| CRYSTAL STRUCTURE OF AP2 ASSOCIATED KINASE 1 ISOFORM 1 COMPLEXED WITH LIGAND (2R)-2-AMINO-N-[3-(DIFLUOROM ETHOXY)-4-(1,3-OXAZOL-5-YL)PHENYL]-4-METHYLPENTANAMIDE | Descriptor: | (1S)-1-[4-ethyl-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine, 5-[(4-aminopiperidin-1-yl)methyl]-N-{3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]phenyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine, AP2-associated protein kinase 1, ... | Authors: | Muckelbauer, J. | Deposit date: | 2021-07-20 | Release date: | 2022-02-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.132 Å) | Cite: | Bicyclic Heterocyclic Replacement of an Aryl Amide Leading to Potent and Kinase-Selective Adaptor Protein 2-Associated Kinase 1 Inhibitors. J.Med.Chem., 65, 2022
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7RJ7
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5IAS
| Caspase 3 V266Y | Descriptor: | ACE-ASP-GLU-VAL-ASK, Caspase-3, SODIUM ION | Authors: | Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C. | Deposit date: | 2016-02-21 | Release date: | 2016-10-26 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection. Proc.Natl.Acad.Sci.USA, 113, 2016
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1HA9
| SOLUTION STRUCTURE OF THE SQUASH TRYPSIN INHIBITOR MCoTI-II, NMR, 30 STRUCTURES. | Descriptor: | TRYPSIN INHIBITOR II | Authors: | Heitz, A, Hernandez, J.-F, Gagnon, J, Hong, T.T, Pham, T.T.C, Nguyen, T.M, Le-Nguyen, D, Chiche, L. | Deposit date: | 2001-04-02 | Release date: | 2001-04-12 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Solution Structure of the Squash Trypsin Inhibitor Mcoti-II. A New Family for Cyclic Knottins Biochemistry, 40, 2001
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8CH6
| Structure of a late-stage activated spliceosome (BAqr) arrested with a dominant-negative Aquarius mutant (state B complex). | Descriptor: | 116 kDa U5 small nuclear ribonucleoprotein component, BUD13 homolog, Cell division cycle 5-like protein, ... | Authors: | Cretu, C, Schmitzova, J, Pena, V. | Deposit date: | 2023-02-07 | Release date: | 2023-05-10 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (5.9 Å) | Cite: | Structural basis of catalytic activation in human splicing. Nature, 617, 2023
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5IAK
| Caspase 3 V266S | Descriptor: | ACE-ASP-GLU-VAL-ASK, Caspase-3, SODIUM ION | Authors: | Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C. | Deposit date: | 2016-02-21 | Release date: | 2016-10-26 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection. Proc.Natl.Acad.Sci.USA, 113, 2016
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5L0K
| Crystal Structure of Autotaxin and Compound PF-8380 | Descriptor: | (3,5-dichlorophenyl)methyl 4-[3-oxo-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)propyl]piperazine-1-carboxylate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Durbin, J.D. | Deposit date: | 2016-07-27 | Release date: | 2016-08-10 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Novel Autotaxin Inhibitors for the Treatment of Osteoarthritis Pain: Lead Optimization via Structure-Based Drug Design. Acs Med.Chem.Lett., 7, 2016
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4NTX
| Structure of acid-sensing ion channel in complex with snake toxin and amiloride | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,5-DIAMINO-N-(AMINOIMINOMETHYL)-6-CHLOROPYRAZINECARBOXAMIDE, Acid-sensing ion channel 1, ... | Authors: | Baconguis, I, Bohlen, C.J, Goehring, A, Julius, D, Gouaux, E. | Deposit date: | 2013-12-02 | Release date: | 2014-02-19 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | X-ray structure of Acid-sensing ion channel 1-snake toxin complex reveals open state of a na(+)-selective channel. Cell(Cambridge,Mass.), 156, 2014
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5L0B
| Crystal Structure of Autotaxin and Compound 1 | Descriptor: | 1-{2-[(2,3-dihydro-1H-inden-2-yl)amino]-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl}ethan-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Durbin, J.D. | Deposit date: | 2016-07-27 | Release date: | 2016-08-10 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Novel Autotaxin Inhibitors for the Treatment of Osteoarthritis Pain: Lead Optimization via Structure-Based Drug Design. Acs Med.Chem.Lett., 7, 2016
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8C6J
| Human spliceosomal PM5 C* complex | Descriptor: | 116 kDa U5 small nuclear ribonucleoprotein component, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent RNA helicase DHX8, ... | Authors: | Dybkov, O, Kastner, B, Luehrmann, R. | Deposit date: | 2023-01-12 | Release date: | 2023-07-12 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Regulation of 3' splice site selection after step 1 of splicing by spliceosomal C* proteins. Sci Adv, 9, 2023
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4NTW
| Structure of acid-sensing ion channel in complex with snake toxin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Acid-sensing ion channel 1, Basic phospholipase A2 homolog Tx-beta, ... | Authors: | Baconguis, I, Bohlen, C.J, Goehring, A, Julius, D, Gouaux, E. | Deposit date: | 2013-12-02 | Release date: | 2014-02-19 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | X-ray structure of Acid-sensing ion channel 1-snake toxin complex reveals open state of a na(+)-selective channel. Cell(Cambridge,Mass.), 156, 2014
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4NTY
| Cesium sites in the crystal structure of acid-sensing ion channel in complex with snake toxin | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Acid-sensing ion channel 1, Basic phospholipase A2 homolog Tx-beta, ... | Authors: | Baconguis, I, Bohlen, C.J, Goehring, A, Julius, D, Gouaux, E. | Deposit date: | 2013-12-02 | Release date: | 2014-02-19 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | X-ray structure of Acid-sensing ion channel 1-snake toxin complex reveals open state of a na(+)-selective channel. Cell(Cambridge,Mass.), 156, 2014
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1GGI
| CRYSTAL STRUCTURE OF AN HIV-1 NEUTRALIZING ANTIBODY 50.1 IN COMPLEX WITH ITS V3 LOOP PEPTIDE ANTIGEN | Descriptor: | HIV-1 V3 LOOP PEPTIDE ANTIGEN, IGG2A 50.1 FAB (HEAVY CHAIN), IGG2A 50.1 FAB (LIGHT CHAIN) | Authors: | Stanfield, R.L, Rini, J.M, Wilson, I.A. | Deposit date: | 1993-04-02 | Release date: | 1993-10-31 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of a human immunodeficiency virus type 1 neutralizing antibody, 50.1, in complex with its V3 loop peptide antigen. Proc.Natl.Acad.Sci.USA, 90, 1993
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5L0E
| Crystal Structure of Autotaxin and Compound 1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-(3-{2-[(2,3-dihydro-1H-inden-2-yl)amino]-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl}propanoyl)-1,3-benzoxazol-2(3H)-one, CHLORIDE ION, ... | Authors: | Durbin, J.D. | Deposit date: | 2016-07-27 | Release date: | 2016-08-10 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.06 Å) | Cite: | Novel Autotaxin Inhibitors for the Treatment of Osteoarthritis Pain: Lead Optimization via Structure-Based Drug Design. Acs Med.Chem.Lett., 7, 2016
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1IB9
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1HK7
| Middle Domain of HSP90 | Descriptor: | CADMIUM ION, HEAT SHOCK PROTEIN HSP82, MAGNESIUM ION | Authors: | Meyer, P, Prodromou, C, Roe, S.M, Pearl, L.H. | Deposit date: | 2003-03-06 | Release date: | 2004-01-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural and Functional Analysis of the Middle Segment of Hsp90. Implications for ATP Hydrolysis and Client Protein and Cochaperone Interactions Mol.Cell, 11, 2003
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1J07
| Crystal structure of the mouse acetylcholinesterase-decidium complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,8-DIAMINO-5,10'-(TRIMETHYLAMMONIUM)DECYL-6-PHENYL PHENANTHRIDINIUM, CARBONATE ION, ... | Authors: | Bourne, Y, Taylor, P, Radic, Z, Marchot, P. | Deposit date: | 2002-11-07 | Release date: | 2003-02-04 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural insights into ligand interactions at the acetylcholinesterase peripheral anionic site EMBO J., 22, 2003
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4MPI
| Crystal structure of the chitin-binding module (CBM18) of a chitinase-like protein from Hevea brasiliensis | Descriptor: | 1,4-DIETHYLENE DIOXIDE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Class I chitinase | Authors: | Martinez-Caballero, C.S, Hermoso, J.A, Rodriguez-Romero, A. | Deposit date: | 2013-09-12 | Release date: | 2014-08-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.602 Å) | Cite: | Comparative study of two GH19 chitinase-like proteins from Hevea brasiliensis, one exhibiting a novel carbohydrate-binding domain. Febs J., 281, 2014
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8J4F
| Structure of human Nav1.7 in complex with Hardwickii acid | Descriptor: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, (4~{a}~{R},5~{S},6~{R},8~{a}~{R})-5-[2-(furan-3-yl)ethyl]-5,6,8~{a}-trimethyl-3,4,4~{a},6,7,8-hexahydronaphthalene-1-carboxylic acid, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ... | Authors: | Wu, Q.R, Yan, N. | Deposit date: | 2023-04-19 | Release date: | 2023-06-14 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural mapping of Na v 1.7 antagonists. Nat Commun, 14, 2023
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5LAH
| NMR structure of the sea anemone peptide tau-AnmTx Ueq 12-1 with an uncommon fold | Descriptor: | tau-AnmTx Ueq 12-1 | Authors: | Mineev, K.S, Arseniev, A.S, Andreev, Y.A, Kozlov, S.A, Logashina, Y.A. | Deposit date: | 2016-06-14 | Release date: | 2017-05-10 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | New Disulfide-Stabilized Fold Provides Sea Anemone Peptide to Exhibit Both Antimicrobial and TRPA1 Potentiating Properties Toxins, 9, 2017
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5LJ3
| Structure of the core of the yeast spliceosome immediately after branching | Descriptor: | CEF1, CLF1, CWC15, ... | Authors: | Galej, W.P, Wilkinson, M.F, Fica, S.M, Oubridge, C, Newman, A.J, Nagai, K. | Deposit date: | 2016-07-17 | Release date: | 2016-08-03 | Last modified: | 2019-10-23 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Cryo-EM structure of the spliceosome immediately after branching. Nature, 537, 2016
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