7JOV
 
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7KAN
 | | Cryo-EM structure of the Sec complex from T. lanuginosus, Sec62-lacking mutant (Delta Sec62) | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Protein transport channel Sec61 complex, alpha subunit (Sec61), ... | | Authors: | Itskanov, S, Park, E. | | Deposit date: | 2020-10-01 | | Release date: | 2021-02-03 | | Last modified: | 2025-05-21 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Stepwise gating of the Sec61 protein-conducting channel by Sec63 and Sec62.
Nat.Struct.Mol.Biol., 28, 2021
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9IRK
 | | Cryo-EM structure of PhyB(Y276H,1-908)-PIF6beta complex | | Descriptor: | 3-[5-[[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, Phytochrome B, Transcription factor PIF6 | | Authors: | Jia, H.L, Guan, Z.Y, Ding, J.Y, Wang, X.Y, Ma, L, Yin, P. | | Deposit date: | 2024-07-16 | | Release date: | 2025-06-04 | | Last modified: | 2025-07-16 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Structural insight into PIF6-mediated red light signal transduction of plant phytochrome B.
Cell Discov, 11, 2025
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7RD2
 | | Co-crystal structure of Chaetomium glucosidase with compound 2 | | Descriptor: | (2R,3R,4R,5S)-1-{[4-({4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-nitroanilino}methyl)phenyl]methyl}-2-(hydroxymethyl)piperidine-3,4,5-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chaetomium alpha glucosidase, ... | | Authors: | Karade, S.S, Mariuzza, R.A. | | Deposit date: | 2021-07-09 | | Release date: | 2023-02-22 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity.
J.Med.Chem., 66, 2023
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1LN2
 | | Crystal Structure of Human Phosphatidylcholine Transfer Protein in Complex with Dilinoleoylphosphatidylcholine (Seleno-Met Protein) | | Descriptor: | 1,2-DILINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Phosphatidylcholine transfer protein | | Authors: | Roderick, S.L, Chan, W.W, Agate, D.S, Olsen, L.R, Vetting, M.W, Rajashankar, K.R, Cohen, D.E. | | Deposit date: | 2002-05-02 | | Release date: | 2002-06-26 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure of human phosphatidylcholine transfer protein in complex with its ligand.
Nat.Struct.Biol., 9, 2002
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6Q2Y
 | | Crystal structure of NDM-1 beta-lactamase in complex with broad spectrum boronic inhibitor cpd3 | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, Metallo-beta-lactamase type 2, ... | | Authors: | Maso, L, Quotadamo, A, Bellio, P, Montanari, M, Venturelli, A, Celenza, G, Costi, M.P, Tondi, D, Cendron, L. | | Deposit date: | 2018-12-03 | | Release date: | 2019-04-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | X-ray Crystallography Deciphers the Activity of Broad-Spectrum Boronic Acid beta-Lactamase Inhibitors.
Acs Med.Chem.Lett., 10, 2019
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5KY8
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7ZH4
 | | USP1 bound to ML323 and ubiquitin conjugated to FANCD2 (focused refinement) | | Descriptor: | 5-methyl-2-(2-propan-2-ylphenyl)-~{N}-[[4-(1,2,3-triazol-1-yl)phenyl]methyl]pyrimidin-4-amine, Ubiquitin carboxyl-terminal hydrolase 1, Ubiquitin-60S ribosomal protein L40, ... | | Authors: | Rennie, M.L, Walden, H. | | Deposit date: | 2022-04-05 | | Release date: | 2022-10-12 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (2.49 Å) | | Cite: | Cryo-EM reveals a mechanism of USP1 inhibition through a cryptic binding site.
Sci Adv, 8, 2022
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5VC5
 | | Crystal structure of human WEE1 kinase domain in complex with PD-166285 | | Descriptor: | 1,2-ETHANEDIOL, 6-(2,6-dichlorophenyl)-2-({4-[2-(diethylamino)ethoxy]phenyl}amino)-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one, CHLORIDE ION, ... | | Authors: | Zhu, J.-Y, Schonbrunn, E. | | Deposit date: | 2017-03-31 | | Release date: | 2017-08-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Structural Basis of Wee Kinases Functionality and Inactivation by Diverse Small Molecule Inhibitors.
J. Med. Chem., 60, 2017
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3GP0
 | | Crystal Structure of Human Mitogen Activated Protein Kinase 11 (p38 beta) in complex with Nilotinib | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Mitogen-activated protein kinase 11, ... | | Authors: | Filippakopoulos, P, Barr, A, Fedorov, O, Keates, T, Soundararajan, M, Elkins, J, Salah, E, Burgess-Brown, N, Ugochukwu, E, Pike, A.C.W, Muniz, J, Roos, A, Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-03-20 | | Release date: | 2009-04-07 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structure of Human Mitogen Activated Protein Kinase 11 (p38 beta) in complex with Nilotinib
To be Published
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1L42
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2WNC
 | | Crystal structure of Aplysia ACHBP in complex with tropisetron | | Descriptor: | (3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-INDOLE-3-CARBOXYLATE, Soluble acetylcholine receptor | | Authors: | Sulzenbacher, G, Hibbs, R, Shi, J, Talley, T, Conrod, S, Kem, W, Taylor, P, Marchot, P, Bourne, Y. | | Deposit date: | 2009-07-08 | | Release date: | 2009-09-01 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural determinants for interaction of partial agonists with acetylcholine binding protein and neuronal alpha7 nicotinic acetylcholine receptor.
EMBO J., 28, 2009
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8V0P
 | | SARS-CoV-2 Omicron-XBB.1.16 3-RBD down Spike Protein Trimer 2 (S-GSAS-Omicron-XBB.1.16) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Zhang, Q.E, Acharya, P. | | Deposit date: | 2023-11-17 | | Release date: | 2024-06-12 | | Last modified: | 2024-11-20 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | SARS-CoV-2 Omicron XBB lineage spike structures, conformations, antigenicity, and receptor recognition.
Mol.Cell, 84, 2024
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1L59
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9D6L
 | | Human Sec61 complex inhibited by KZR-261 | | Descriptor: | 4-{(3S)-9-(cyclohexylmethyl)-5-[(3R,5R)-4-(3-fluoro-5-methoxyphenyl)-3,5-dimethylpiperazine-1-sulfonyl]-3-methyl-1,5,9-triazacyclododecane-1-sulfonyl}-N,N-dimethylaniline, Protein transport protein Sec61 subunit alpha isoform 1, Protein transport protein Sec61 subunit beta, ... | | Authors: | Park, E, Wang, L. | | Deposit date: | 2024-08-15 | | Release date: | 2025-07-23 | | Last modified: | 2025-07-30 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Preclinical characterization of novel multi-client inhibitors of Sec61 with broad antitumor activity.
J.Pharmacol.Exp.Ther., 392, 2025
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8V0O
 | | SARS-CoV-2 Omicron-XBB.1.16 3-RBD down Spike Protein Trimer 1 (S-GSAS-Omicron-XBB.1.16) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Zhang, Q.E, Acharya, P. | | Deposit date: | 2023-11-17 | | Release date: | 2024-06-12 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | SARS-CoV-2 Omicron XBB lineage spike structures, conformations, antigenicity, and receptor recognition.
Mol.Cell, 84, 2024
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2WKI
 | | Crystal structure of the OXA-10 K70C mutant at pH 7.0 | | Descriptor: | 1,2-ETHANEDIOL, BETA-LACTAMASE OXA-10, GLYCEROL, ... | | Authors: | Vercheval, L, Bauvois, C, Kerff, F, Sauvage, E, Guiet, R, Charlier, P, Galleni, M. | | Deposit date: | 2009-06-11 | | Release date: | 2010-08-25 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Three Factors that Modulate the Activity of Class D Beta-Lactamases and Interfere with the Post-Translational Carboxylation of Lys70.
Biochem.J., 432, 2010
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3H3S
 | | Crystal structure of the CERT START domain in complex with HPA-15 | | Descriptor: | Goodpasture antigen binding protein, N-[(1R,3R)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]pentadecanamide | | Authors: | Kudo, N, Wakatsuki, S, Kato, R. | | Deposit date: | 2009-04-17 | | Release date: | 2010-03-02 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Crystal structures of the CERT START domain with inhibitors provide insights into the mechanism of ceramide transfer.
J.Mol.Biol., 396, 2010
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8UK1
 | | SARS-CoV-2 Omicron-XBB.1.16 3-RBD-down Spike Protein Trimer consensus (S-RRAR-Omicron-XBB.1.16) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Zhang, Q.E, Acharya, P. | | Deposit date: | 2023-10-11 | | Release date: | 2024-06-12 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | SARS-CoV-2 Omicron XBB lineage spike structures, conformations, antigenicity, and receptor recognition.
Mol.Cell, 84, 2024
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7K8R
 | | Crystal structure of an anti-SARS-CoV-2 human neutralizing antibody Fab fragment, C135 | | Descriptor: | C135 Fab Heavy Chain, C135 Fab Light Chain, GLYCEROL | | Authors: | Jette, C.A, Barnes, C.O, Bjorkman, P.J. | | Deposit date: | 2020-09-27 | | Release date: | 2020-10-21 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | SARS-CoV-2 neutralizing antibody structures inform therapeutic strategies.
Nature, 588, 2020
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7YB2
 | | Crystal Structure of anthrol reductase (CbAR) in complex with NADP+ and emodin | | Descriptor: | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Hou, X.D, Rao, Y.J. | | Deposit date: | 2022-06-28 | | Release date: | 2023-06-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural analysis of an anthrol reductase inspires enantioselective synthesis of enantiopure hydroxycycloketones and beta-halohydrins.
Nat Commun, 14, 2023
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8V0L
 | | SARS-CoV-2 Omicron-XBB.1.16 3-RBD-down Spike Protein Trimer 1 (S-RRAR-Omicron-XBB.1.16) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Zhang, Q.E, Acharya, P. | | Deposit date: | 2023-11-17 | | Release date: | 2024-06-12 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | SARS-CoV-2 Omicron XBB lineage spike structures, conformations, antigenicity, and receptor recognition.
Mol.Cell, 84, 2024
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5AAL
 | | Complex of the FimH lectin with a C-linked para-biphenyl ethylene alpha-D-mannoside in soaked trigonal crystals at 2.45 A resolution | | Descriptor: | (2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[(Z)-3-(4-phenylphenyl)prop-2-enyl]oxane-3,4,5-triol, FIMH, NICKEL (II) ION, ... | | Authors: | De Ruyck, J, Bouckaert, J. | | Deposit date: | 2015-07-27 | | Release date: | 2016-03-09 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structures of C-Mannosylated Anti-Adhesives Bound to the Type 1 Fimbrial Fimh Adhesin
Iucrj, 3, 2016
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4CTS
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6RZ4
 | | Crystal structure of cysteinyl leukotriene receptor 1 in complex with pranlukast | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Cysteinyl leukotriene receptor 1,Soluble cytochrome b562,Cysteinyl leukotriene receptor 1, OLEIC ACID, ... | | Authors: | Luginina, A, Gusach, A, Marin, E, Mishin, A, Brouillette, R, Popov, P, Shiryaeva, A, Besserer-Offroy, E, Longpre, J.M, Lyapina, E, Ishchenko, A, Patel, N, Polovinkin, V, Safronova, N, Bogorodskiy, A, Edelweiss, E, Liu, W, Batyuk, A, Gordeliy, V, Han, G.W, Sarret, P, Katritch, V, Borshchevskiy, V, Cherezov, V. | | Deposit date: | 2019-06-12 | | Release date: | 2019-10-30 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure-based mechanism of cysteinyl leukotriene receptor inhibition by antiasthmatic drugs.
Sci Adv, 5, 2019
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