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7XW5
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BU of 7xw5 by Molmil
TSHR-thyroid stimulating hormone-Gs-ML109 complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, Glycoprotein hormones alpha chain, ...
Authors:Duan, J, Xu, P, Luan, X, Ji, Y, Yuan, Q, He, X, Ye, J, Cheng, X, Jiang, H, Zhang, S, Jiang, Y, Xu, H.E.
Deposit date:2022-05-26
Release date:2022-08-24
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (2.96 Å)
Cite:Hormone- and antibody-mediated activation of the thyrotropin receptor.
Nature, 609, 2022
7XW6
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BU of 7xw6 by Molmil
TSHR-Gs-M22 antibody-ML109 complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Duan, J, Xu, P, Luan, X, Ji, Y, Yuan, Q, He, X, Ye, J, Cheng, X, Jiang, H, Zhang, S, Jiang, Y, Xu, H.E.
Deposit date:2022-05-26
Release date:2022-08-17
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (2.78 Å)
Cite:Hormone- and antibody-mediated activation of the thyrotropin receptor.
Nature, 609, 2022
8U2E
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BU of 8u2e by Molmil
Bruton's tyrosine kinase in complex with N-[(2R)-1-[(3R)-3-(methylcarbamoyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl]-3-(3-methylphenyl)-1-oxopropan-2-yl]-1H-indazole-5-carboxamide
Descriptor: (2S)-6-fluoro-5-[(3S)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-2-(4-methylpiperazine-1-carbonyl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Gajewski, S, Clifton, M.C.
Deposit date:2023-09-05
Release date:2024-01-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery and Preclinical Pharmacology of NX-2127, an Orally Bioavailable Degrader of Bruton's Tyrosine Kinase with Immunomodulatory Activity for the Treatment of Patients with B Cell Malignancies.
J.Med.Chem., 67, 2024
8U2D
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BU of 8u2d by Molmil
Bruton's tyrosine kinase in complex with N-[(2R)-1-[(3R)-3-(methylcarbamoyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl]-3-(3-methylphenyl)-1-oxopropan-2-yl]-1H-indazole-5-carboxamide
Descriptor: (3R)-2-[N-(1H-indazole-5-carbonyl)-3-methyl-D-phenylalanyl]-N-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Gajewski, S, Clifton, M.C.
Deposit date:2023-09-05
Release date:2024-01-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery and Preclinical Pharmacology of NX-2127, an Orally Bioavailable Degrader of Bruton's Tyrosine Kinase with Immunomodulatory Activity for the Treatment of Patients with B Cell Malignancies.
J.Med.Chem., 67, 2024
3PCU
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BU of 3pcu by Molmil
Crystal structure of human retinoic X receptor alpha ligand-binding domain complexed with LX0278 and SRC1 peptide
Descriptor: 2-[(2S)-6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydro-7H-furo[3,2-g]chromen-2-yl]propan-2-yl acetate, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
Authors:Zhang, H, Zhang, Y, Shen, H, Chen, J, Li, C, Chen, L, Hu, L, Jiang, H, Shen, X.
Deposit date:2010-10-22
Release date:2011-11-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:(+)-Rutamarin as a Dual Inducer of Both GLUT4 Translocation and Expression Efficiently Ameliorates Glucose Homeostasis in Insulin-Resistant Mice.
Plos One, 7, 2012
8GC8
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BU of 8gc8 by Molmil
Bruton's tyrosine kinase L528W mutant in complex with 5-(piperidin-1-yl)-3-{[4-(piperidin-4-yl)phenyl]amino}pyrazine-2-carboxamide
Descriptor: 1,2-ETHANEDIOL, 5-(piperidin-1-yl)-3-[4-(piperidin-4-yl)anilino]pyrazine-2-carboxamide, Tyrosine-protein kinase BTK
Authors:Gajewski, S.
Deposit date:2023-03-01
Release date:2024-01-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Kinase-impaired BTK mutations are susceptible to clinical-stage BTK and IKZF1/3 degrader NX-2127.
Science, 383, 2024
8GC7
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BU of 8gc7 by Molmil
Bruton's tyrosine kinase in complex with 5-(piperidin-1-yl)-3-{[4-(piperidin-4-yl)phenyl]amino}pyrazine-2-carboxamide
Descriptor: 1,2-ETHANEDIOL, 5-(piperidin-1-yl)-3-[4-(piperidin-4-yl)anilino]pyrazine-2-carboxamide, CHLORIDE ION, ...
Authors:Gajewski, S.
Deposit date:2023-03-01
Release date:2024-01-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Kinase-impaired BTK mutations are susceptible to clinical-stage BTK and IKZF1/3 degrader NX-2127.
Science, 383, 2024
3N71
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BU of 3n71 by Molmil
Crystal structure of cardiac specific histone methyltransferase SmyD1
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, Histone lysine methyltransferase SmyD1, ...
Authors:Sirinupong, N, Yang, Z.
Deposit date:2010-05-26
Release date:2010-10-13
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of Cardiac-specific Histone Methyltransferase SmyD1 Reveals Unusual Active Site Architecture.
J.Biol.Chem., 285, 2010
8UD9
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BU of 8ud9 by Molmil
Structure of human constitutive 20S proteasome complexed with the inhibitor TDI-8304
Descriptor: (7S,10S,13S)-N-cyclopentyl-10-[2-(morpholin-4-yl)ethyl]-9,12-dioxo-13-(2-oxopyrrolidin-1-yl)-2-oxa-8,11-diazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-7-carboxamide, Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, ...
Authors:Hsu, H.-C, Li, H.
Deposit date:2023-09-28
Release date:2023-12-20
Last modified:2024-01-03
Method:ELECTRON MICROSCOPY (2.04 Å)
Cite:Structures revealing mechanisms of resistance and collateral sensitivity of Plasmodium falciparum to proteasome inhibitors.
Nat Commun, 14, 2023
5VTA
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BU of 5vta by Molmil
Co-Crystal Structure of DPPIV with a Chemibody Inhibitor
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperazin-1-yl}-N-(22-oxo-3,6,9,12,15,18-hexaoxa-21-azatricosan-1-yl)acetamide, ...
Authors:Wang, Z, Johnstone, S, Cheng, A.
Deposit date:2017-05-16
Release date:2018-05-09
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-guided Discovery of Dual-recognition Chemibodies.
Sci Rep, 8, 2018
8DT3
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BU of 8dt3 by Molmil
Cryo-EM structure of spike binding to Fab of neutralizing antibody (locally refined)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain Fab of SW186, Light chain Fab of SW186, ...
Authors:Sun, P.C, Fang, Y, Bai, X.C, Chen, Z.J.
Deposit date:2022-07-25
Release date:2022-08-03
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:An antibody that neutralizes SARS-CoV-1 and SARS-CoV-2 by binding to a conserved spike epitope outside the receptor binding motif.
Sci Immunol, 7, 2022
8G6F
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BU of 8g6f by Molmil
Structure of the Plasmodium falciparum 20S proteasome beta-6 A117D mutant complexed with inhibitor WLW-vs
Descriptor: (2S)-N-[(E,2S)-1-(1H-indol-3-yl)-4-methylsulfonyl-but-3-en-2-yl]-2-[[(2S)-3-(1H-indol-3-yl)-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]-4-methyl-pentanamide, Proteasome endopeptidase complex, Proteasome subunit alpha type-1, ...
Authors:Hsu, H.-C, Li, H.
Deposit date:2023-02-15
Release date:2023-12-20
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (2.58 Å)
Cite:Structures revealing mechanisms of resistance and collateral sensitivity of Plasmodium falciparum to proteasome inhibitors.
Nat Commun, 14, 2023
8G6E
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BU of 8g6e by Molmil
Structure of the Plasmodium falciparum 20S proteasome complexed with inhibitor TDI-8304
Descriptor: (7S,10S,13S)-N-cyclopentyl-10-[2-(morpholin-4-yl)ethyl]-9,12-dioxo-13-(2-oxopyrrolidin-1-yl)-2-oxa-8,11-diazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-7-carboxamide, Proteasome subunit alpha type, Proteasome subunit alpha type-1, ...
Authors:Hsu, H.-C, Li, H.
Deposit date:2023-02-15
Release date:2023-12-20
Last modified:2024-01-03
Method:ELECTRON MICROSCOPY (2.18 Å)
Cite:Structures revealing mechanisms of resistance and collateral sensitivity of Plasmodium falciparum to proteasome inhibitors.
Nat Commun, 14, 2023
8XOQ
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BU of 8xoq by Molmil
Human Calcium and Integrin Binding Protein 2 (CIB2) Fusion to TMC1 CBD-1 domain at 2.4 Angstroms resolution
Descriptor: MAGNESIUM ION, Transmembrane channel-like protein 1,Calcium and integrin-binding family member 2
Authors:Li, Y.H, Chen, J.S, Zhang, X, Wang, C.
Deposit date:2024-01-02
Release date:2025-01-15
Last modified:2025-03-12
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Structural insights into calcium-dependent CIB2-TMC1 interaction in hair cell mechanotransduction.
Commun Biol, 8, 2025
7D0Q
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BU of 7d0q by Molmil
Crystal structure of human HBO1-BRPF2 in complex with butyryl-coenzyme A
Descriptor: 1,2-ETHANEDIOL, BRD1 protein, Butyryl Coenzyme A, ...
Authors:Li, W, Ding, J.
Deposit date:2020-09-11
Release date:2021-07-07
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:HBO1 is a versatile histone acyltransferase critical for promoter histone acylations.
Nucleic Acids Res., 49, 2021
7D0O
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BU of 7d0o by Molmil
Crystal structure of human HBO1-BRPF2 in apo form
Descriptor: 1,2-ETHANEDIOL, BRD1 protein, Histone acetyltransferase KAT7, ...
Authors:Li, W, Ding, J.
Deposit date:2020-09-11
Release date:2021-07-07
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:HBO1 is a versatile histone acyltransferase critical for promoter histone acylations.
Nucleic Acids Res., 49, 2021
7D0R
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BU of 7d0r by Molmil
Crystal structure of human HBO1-BRPF2 in complex with crotonoyl-coenzyme A
Descriptor: 1,2-ETHANEDIOL, BRD1 protein, CROTONYL COENZYME A, ...
Authors:Li, W, Ding, J.
Deposit date:2020-09-11
Release date:2021-07-07
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:HBO1 is a versatile histone acyltransferase critical for promoter histone acylations.
Nucleic Acids Res., 49, 2021
7D0P
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BU of 7d0p by Molmil
Crystal structure of human HBO1-BRPF2 in complex with propionyl-coenzyme A
Descriptor: BRD1 protein, CHLORIDE ION, Histone acetyltransferase KAT7, ...
Authors:Li, W, Ding, J.
Deposit date:2020-09-11
Release date:2021-07-07
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:HBO1 is a versatile histone acyltransferase critical for promoter histone acylations.
Nucleic Acids Res., 49, 2021
7D0S
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BU of 7d0s by Molmil
Crystal structure of human HBO1-BRPF2 in complex with succinyl-coenzyme A
Descriptor: BRD1 protein, Histone acetyltransferase KAT7, SUCCINYL-COENZYME A, ...
Authors:Li, W, Ding, J.
Deposit date:2020-09-11
Release date:2021-07-07
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:HBO1 is a versatile histone acyltransferase critical for promoter histone acylations.
Nucleic Acids Res., 49, 2021
7B0L
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BU of 7b0l by Molmil
Neisseria gonorrhoeae transaldolase, low-dose inhouse
Descriptor: CITRIC ACID, Transaldolase
Authors:Rabe von Pappenheim, F, Wensien, M, Tittmann, K.
Deposit date:2020-11-20
Release date:2021-03-24
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:A lysine-cysteine redox switch with an NOS bridge regulates enzyme function.
Nature, 593, 2021
7BBW
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BU of 7bbw by Molmil
Neisseria gonorrhoeae transaldolase, variant C38S
Descriptor: GLYCEROL, Transaldolase
Authors:Rabe von Pappenheim, F, Wensien, M, Tittmann, K.
Deposit date:2020-12-18
Release date:2021-03-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:A lysine-cysteine redox switch with an NOS bridge regulates enzyme function.
Nature, 593, 2021
7BBX
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BU of 7bbx by Molmil
Neisseria gonorrhoeae transaldolase, variant K8A
Descriptor: 1,2-ETHANEDIOL, CITRIC ACID, Transaldolase
Authors:Rabe von Pappenheim, F, Wensien, M, Funk, L.M, Tittmann, K.
Deposit date:2020-12-18
Release date:2021-03-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:A lysine-cysteine redox switch with an NOS bridge regulates enzyme function.
Nature, 593, 2021
6JWP
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BU of 6jwp by Molmil
crystal structure of EGOC
Descriptor: Ego2, GTP-binding protein GTR1, GTP-binding protein GTR2, ...
Authors:Zhang, T, Ding, J.
Deposit date:2019-04-21
Release date:2019-12-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural insights into the EGO-TC-mediated membrane tethering of the TORC1-regulatory Rag GTPases.
Sci Adv, 5, 2019
2N4X
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BU of 2n4x by Molmil
Structure of the Transmembrane Electron Transporter CcdA
Descriptor: Cytochrome C-type biogenesis protein (CcdA)
Authors:Chou, J.J, Williamson, J.A.
Deposit date:2015-07-01
Release date:2016-05-18
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure and multistate function of the transmembrane electron transporter CcdA.
Nat.Struct.Mol.Biol., 22, 2015
8TS0
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BU of 8ts0 by Molmil
Crystal Structure of human ASGR1 CRD (Carbohydrate Recognition Domain) bound to 8M24 Fab
Descriptor: 8M24 Fab Heavy chain, 8M24 Fab Light chain, Asialoglycoprotein receptor 1, ...
Authors:Sampathkumar, P, Li, Y.
Deposit date:2023-08-10
Release date:2024-06-19
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Targeted protein degradation systems to enhance Wnt signaling.
Elife, 13, 2024

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