7AJK
 
 | | Crystal structure of CRYI-B Rac1 complex | | Descriptor: | CYFIP-related Rac1 interactor B, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | | Authors: | Yelland, T, Anh, L, Insall, R, Machesky, L, Ismail, S. | | Deposit date: | 2020-09-29 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural Basis of CYRI-B Direct Competition with Scar/WAVE Complex for Rac1.
Structure, 29, 2021
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7ZJP
 | | Optimization of TEAD P-Site Binding Fragment Hit into In Vivo Active Lead MSC-4106 | | Descriptor: | 2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxylic acid, SULFATE ION, Transcriptional enhancer factor TEF-1 | | Authors: | Freire, F, Heinrich, T, Petersson, C, Schneider, R, Garg, S, Schwarz, D, Gunera, J, Seshire, A, Koetzner, L, Schlesiger, S, Musil, D, Schilke, H, Doerfel, B, Diehl, P, Boepple, P, Lemos, A.R, Sousa, P.M.F, Freire, F, Bandeiras, T.M, Carswell, E, Pearson, N, Sirohi, S, Hooker, M, Trivier, E, Broome, R, Balsiger, A, Crowden, A, Dillon, C, Wienke, D. | | Deposit date: | 2022-04-11 | | Release date: | 2022-07-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Optimization of TEAD P-Site Binding Fragment Hit into In Vivo Active Lead MSC-4106 .
J.Med.Chem., 65, 2022
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7YC9
 | | Co-crystal structure of BTK kinase domain with inhibitor | | Descriptor: | (7~{S})-2-(4-bromanyl-3,5-dimethoxy-phenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, 1,2-ETHANEDIOL, Tyrosine-protein kinase BTK | | Authors: | Zhou, X. | | Deposit date: | 2022-07-01 | | Release date: | 2023-05-17 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Discovery of BGB-8035, a Highly Selective Covalent Inhibitor of Bruton's Tyrosine Kinase for B-Cell Malignancies and Autoimmune Diseases.
J.Med.Chem., 66, 2023
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7XRF
 | | Crystal structaure of DgpB/C complex | | Descriptor: | AP_endonuc_2 domain-containing protein, DgpB, MANGANESE (II) ION | | Authors: | Ma, M, He, P. | | Deposit date: | 2022-05-10 | | Release date: | 2023-02-15 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.137 Å) | | Cite: | Structural mechanism of a dual-functional enzyme DgpA/B/C as both a C -glycoside cleaving enzyme and an O - to C -glycoside isomerase.
Acta Pharm Sin B, 13, 2023
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7XRE
 | | Crystal structure of DgpA | | Descriptor: | DgpA, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Ma, W, He, P. | | Deposit date: | 2022-05-10 | | Release date: | 2023-02-15 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.76 Å) | | Cite: | Structural mechanism of a dual-functional enzyme DgpA/B/C as both a C -glycoside cleaving enzyme and an O - to C -glycoside isomerase.
Acta Pharm Sin B, 13, 2023
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6N1L
 | | The complement inhibitory domain of B. burgdorferi BBK32. | | Descriptor: | Fibronectin-binding protein BBK32 | | Authors: | Garcia, B.L. | | Deposit date: | 2018-11-09 | | Release date: | 2019-03-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.722 Å) | | Cite: | Structural determination of the complement inhibitory domain of Borrelia burgdorferi BBK32 provides insight into classical pathway complement evasion by lyme disease spirochetes.
PLoS Pathog., 15, 2019
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4NOX
 | | Structure of the nine-bladed beta-propeller of eIF3b | | Descriptor: | CHLORIDE ION, Eukaryotic translation initiation factor 3 subunit B | | Authors: | Liu, Y, Neumann, P, Kuhle, B, Monecke, T, Ficner, R. | | Deposit date: | 2013-11-20 | | Release date: | 2014-09-17 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.722 Å) | | Cite: | Translation initiation factor eIF3b contains a nine-bladed beta-propeller and interacts with the 40S ribosomal subunit
Structure, 22, 2014
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7AIS
 | | Crystal structure of Torpedo Californica acetylcholinesterase in complex with 6-[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-N-(4-hydroxy-3-methoxybenzyl)hexanamide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-N-(4-hydroxy-3-methoxybenzyl)hexanamide, Acetylcholinesterase, ... | | Authors: | Coquelle, N, Colletier, J.P. | | Deposit date: | 2020-09-28 | | Release date: | 2021-10-06 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Discovery of a Potent Dual Inhibitor of Acetylcholinesterase and Butyrylcholinesterase with Antioxidant Activity that Alleviates Alzheimer-like Pathology in Old APP/PS1 Mice.
J.Med.Chem., 64, 2021
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8VOJ
 | | The Cryo-EM structure of LSD1-CoREST-HDAC1 in complex with KBTBD4 enhanced by UM171 and IP6 | | Descriptor: | (1r,4r)-N~1~-[(7P)-2-benzyl-7-(2-methyl-2H-tetrazol-5-yl)-9H-pyrimido[4,5-b]indol-4-yl]cyclohexane-1,4-diamine, Histone deacetylase 1, INOSITOL HEXAKISPHOSPHATE, ... | | Authors: | Xie, X, Mao, H, Liau, B, Zheng, N. | | Deposit date: | 2024-01-15 | | Release date: | 2024-12-04 | | Last modified: | 2025-06-18 | | Method: | ELECTRON MICROSCOPY (3.77 Å) | | Cite: | UM171 glues asymmetric CRL3-HDAC1/2 assembly to degrade CoREST corepressors.
Nature, 639, 2025
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5IVV
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7RAN
 | | 5-HT2AR bound to a novel agonist in complex with a mini-Gq protein and an active-state stabilizing single-chain variable fragment (scFv16) obtained by cryo-electron microscopy (cryoEM) | | Descriptor: | (3R)-3-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,3,6-tetrahydropyridin-1-ium, 5-hydroxytryptamine receptor 2A, G protein subunit q (Gi2-mini-Gq chimera), ... | | Authors: | Barros-Alvarez, X, Kim, K, Panova, O, Roth, B.L, Skiniotis, G. | | Deposit date: | 2021-07-02 | | Release date: | 2022-07-06 | | Last modified: | 2025-05-21 | | Method: | ELECTRON MICROSCOPY (3.45 Å) | | Cite: | Bespoke library docking for 5-HT 2A receptor agonists with antidepressant activity.
Nature, 610, 2022
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4Y97
 | | Crystal Structure of human Pol alpha B-subunit in complex with C-terminal domain of catalytic subunit | | Descriptor: | DNA polymerase alpha catalytic subunit, DNA polymerase alpha subunit B, ZINC ION | | Authors: | Suwa, Y, Gu, J, Baranovskiy, A.G, Babayeva, N.D, Tahirov, T.H. | | Deposit date: | 2015-02-17 | | Release date: | 2015-04-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Crystal Structure of the Human Pol alpha B Subunit in Complex with the C-terminal Domain of the Catalytic Subunit.
J.Biol.Chem., 290, 2015
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7UAQ
 | | Structure of the SARS-CoV-2 NTD in complex with C1520, local refinement | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, C1520 Fab Heavy Chain, ... | | Authors: | Barnes, C.O. | | Deposit date: | 2022-03-13 | | Release date: | 2022-04-27 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Analysis of memory B cells identifies conserved neutralizing epitopes on the N-terminal domain of variant SARS-Cov-2 spike proteins.
Immunity, 55, 2022
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7R1F
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6OKO
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8YMK
 | | Localized reconstruction of Hepatitis B virus surface antigen dimer in the subviral particle with D2 symmetry from dataset A0 | | Descriptor: | Isoform S of Large envelope protein | | Authors: | Wang, T, Cao, L, Mu, A, Wang, Q, Rao, Z.H. | | Deposit date: | 2024-03-09 | | Release date: | 2024-09-18 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Inherent symmetry and flexibility in hepatitis B virus subviral particles.
Science, 385, 2024
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7ZJ4
 | | Ligand bound state of a brocolli-pepper aptamer FRET tile | | Descriptor: | 4-(3,5-difluoro-4-hydroxybenzyl)-1,2-dimethyl-1H-imidazol-5-ol, 4-[(~{Z})-1-cyano-2-[5-[2-hydroxyethyl(methyl)amino]thieno[3,2-b]thiophen-2-yl]ethenyl]benzenecarbonitrile, POTASSIUM ION, ... | | Authors: | McRae, E.K.S, Vallina, N.S, Hansen, B.K, Boussebayle, A, Andersen, E.S. | | Deposit date: | 2022-04-08 | | Release date: | 2023-04-19 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (4.43 Å) | | Cite: | Structure determination of Pepper-Broccoli FRET pair by RNA origami scaffolding
To Be Published
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8YBL
 | | Crystal structure of nanobody SEB-Nb3 bound to staphylococcal enterotoxin B (SEB) | | Descriptor: | Enterotoxin type B, nanobody SEB-Nb3 | | Authors: | Ding, Y, Zong, X, Liu, R, Liu, P. | | Deposit date: | 2024-02-15 | | Release date: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Structural insights into the binding of nanobodies to the Staphylococcal enterotoxin B.
Int.J.Biol.Macromol., 276, 2024
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8YBP
 | | Crystal structure of nanobody SEB-Nb20 bound to staphylococcal enterotoxin B (SEB) | | Descriptor: | Enterotoxin type B, nanobody SEB-Nb20 | | Authors: | Ding, Y, Zong, X, Liu, R, Liu, P. | | Deposit date: | 2024-02-15 | | Release date: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Structural insights into the binding of nanobodies to the Staphylococcal enterotoxin B.
Int.J.Biol.Macromol., 276, 2024
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8A3J
 | | X-ray crystal structure of a de novo designed antiparallel coiled-coil heterotetramer with 3 heptad repeats, apCC-Tet*3-A2B2 | | Descriptor: | apCC-Tet*3-A, apCC-Tet*3-B | | Authors: | Naudin, E.A, Mylemans, B, Albanese, K.I, Woolfson, D.N. | | Deposit date: | 2022-06-08 | | Release date: | 2022-10-05 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | From peptides to proteins: coiled-coil tetramers to single-chain 4-helix bundles.
Chem Sci, 13, 2022
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4MQT
 | | Structure of active human M2 muscarinic acetylcholine receptor bound to the agonist iperoxo and allosteric modulator LY2119620 | | Descriptor: | 3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide, 4-(4,5-dihydro-1,2-oxazol-3-yloxy)-N,N,N-trimethylbut-2-yn-1-aminium, Muscarinic acetylcholine receptor M2, ... | | Authors: | Kruse, A.C, Ring, A.M, Manglik, A, Hu, J, Hu, K, Eitel, K, Huebner, H, Pardon, E, Valant, C, Sexton, P.M, Christopoulos, A, Felder, C.C, Gmeiner, P, Steyaert, J, Weis, W.I, Garcia, K.C, Wess, J, Kobilka, B.K. | | Deposit date: | 2013-09-16 | | Release date: | 2013-11-27 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | Activation and allosteric modulation of a muscarinic acetylcholine receptor.
Nature, 504, 2013
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1C5Q
 | | STRUCTURAL BASIS FOR SELECTIVITY OF A SMALL MOLECULE, S1-BINDING, SUB-MICROMOLAR INHIBITOR OF UROKINASE TYPE PLASMINOGEN ACTIVATOR | | Descriptor: | 4-IODOBENZO[B]THIOPHENE-2-CARBOXAMIDINE, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Katz, B.A, Mackman, R, Luong, C, Radika, K, Martelli, A, Sprengeler, P.A, Wang, J, Chan, H, Wong, L. | | Deposit date: | 1999-12-22 | | Release date: | 2000-12-22 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Structural basis for selectivity of a small molecule, S1-binding, submicromolar inhibitor of urokinase-type plasminogen activator.
Chem.Biol., 7, 2000
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6E60
 | | Bacteroides ovatus mixed-linkage glucan utilization locus (MLGUL) SGBP-A | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, mixed-linkage glucan utilization locus (MLGUL) SGBP-B | | Authors: | Tamura, K, Gardill, B.R, Brumer, H, Van Petegem, F. | | Deposit date: | 2018-07-23 | | Release date: | 2019-05-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Surface glycan-binding proteins are essential for cereal beta-glucan utilization by the human gut symbiont Bacteroides ovatus.
Cell.Mol.Life Sci., 76, 2019
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1C5T
 | | STRUCTURAL BASIS FOR SELECTIVITY OF A SMALL MOLECULE, S1-BINDING, SUB-MICROMOLAR INHIBITOR OF UROKINASE TYPE PLASMINOGEN ACTIVATOR | | Descriptor: | CALCIUM ION, PROTEIN (TRYPSIN), THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE | | Authors: | Katz, B.A, Mackman, R, Luong, C, Radika, K, Martelli, A, Sprengeler, P.A, Wang, J, Chan, H, Wong, L. | | Deposit date: | 1999-12-22 | | Release date: | 2000-12-22 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Structural basis for selectivity of a small molecule, S1-binding, submicromolar inhibitor of urokinase-type plasminogen activator.
Chem.Biol., 7, 2000
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1C5S
 | | STRUCTURAL BASIS FOR SELECTIVITY OF A SMALL MOLECULE, S1-BINDING, SUB-MICROMOLAR INHIBITOR OF UROKINASE TYPE PLASMINOGEN ACTIVATOR | | Descriptor: | BENZO[B]THIOPHENE-2-CARBOXAMIDINE, CALCIUM ION, PROTEIN (TRYPSIN), ... | | Authors: | Katz, B.A, Mackman, R, Luong, C, Radika, K, Martelli, A, Sprengeler, P.A, Wang, J, Chan, H, Wong, L. | | Deposit date: | 1999-12-22 | | Release date: | 2000-12-22 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Structural basis for selectivity of a small molecule, S1-binding, submicromolar inhibitor of urokinase-type plasminogen activator.
Chem.Biol., 7, 2000
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