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6CMX
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BU of 6cmx by Molmil
Human Teneurin 2 extra-cellular region
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Teneurin-2, alpha-D-mannopyranose, ...
Authors:Shalev-Benami, M, Li, J, Sudhof, T, Skiniotis, G, Arac, D.
Deposit date:2018-03-06
Release date:2018-07-25
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural Basis for Teneurin Function in Circuit-Wiring: A Toxin Motif at the Synapse.
Cell, 173, 2018
7YK4
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BU of 7yk4 by Molmil
ox40-antibody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Tumor necrosis factor receptor superfamily member 4, antibody-H, ...
Authors:Zhou, A.
Deposit date:2022-07-21
Release date:2023-08-09
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural Basis of a Novel Agonistic Anti-OX40 Antibody.
Biomolecules, 12, 2022
8AG1
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BU of 8ag1 by Molmil
Crystal structure of a novel OX40 antibody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Novel OX40 antibody heavy chain, Novel OX40 antibody light chain, ...
Authors:Gao, H, Zhou, A.
Deposit date:2022-07-19
Release date:2023-07-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.303 Å)
Cite:Structural Basis of a Novel Agonistic Anti-OX40 Antibody.
Biomolecules, 12, 2022
4PY4
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BU of 4py4 by Molmil
Crystal structure of human poly(ADP-ribose) polymerase 14, catalytic domain in complex with an inhibitor XL2
Descriptor: 2-({4-[(1R)-1-(dimethylamino)ethyl]phenyl}amino)-6-fluoro-1,3-benzothiazole-4-carboxamide, Poly [ADP-ribose] polymerase 14
Authors:Li, J, Xu, Y.
Deposit date:2014-03-26
Release date:2015-04-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Palladium-catalyzed N-arylation of 2-aminobenzothiazole-4-carboxylates/carboxamides: facile synthesis of PARP14 inhibitors
Tetrahedron, 70, 2017
4QPL
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BU of 4qpl by Molmil
Crystal structure of RNF146(RING-WWE)/UbcH5a/iso-ADPr complex
Descriptor: 2'-O-(5-O-phosphono-alpha-D-ribofuranosyl)adenosine 5'-(dihydrogen phosphate), E3 ubiquitin-protein ligase RNF146, Ubiquitin-conjugating enzyme E2 D1, ...
Authors:Wang, Z, DaRosa, P.A, Klevit, R.E, Xu, W.
Deposit date:2014-06-23
Release date:2014-10-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Allosteric activation of the RNF146 ubiquitin ligase by a poly(ADP-ribosyl)ation signal.
Nature, 517, 2015
7DPU
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BU of 7dpu by Molmil
SARS-CoV-2 3CL protease (3CLpro) in complex with 7-O-methyl-myricetin
Descriptor: 3C-like proteinase, 7-methoxy-3,5-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one, GLYCEROL
Authors:Su, H.X, Zhao, W.F, Xie, H, Li, M.J, Xu, Y.C.
Deposit date:2020-12-21
Release date:2021-05-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Identification of pyrogallol as a warhead in design of covalent inhibitors for the SARS-CoV-2 3CL protease.
Nat Commun, 12, 2021
7DPV
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BU of 7dpv by Molmil
SARS-CoV-2 3CL protease (3CLpro) in complex with 7-O-methyl-dihydromyricetin
Descriptor: (2S,3S)-3,5-dihydroxy-7-methoxy-2-(3,4,5-trihydroxyphenyl)chroman-4-one, 3C-like proteinase
Authors:Su, H.X, Zhao, W.F, Xie, H, Li, M.J, Xu, Y.C.
Deposit date:2020-12-21
Release date:2021-05-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Identification of pyrogallol as a warhead in design of covalent inhibitors for the SARS-CoV-2 3CL protease.
Nat Commun, 12, 2021
7DPP
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BU of 7dpp by Molmil
SARS-CoV-2 3CL protease (3CLpro) in complex with myricetin
Descriptor: 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, 3C-like proteinase
Authors:Su, H.X, Zhao, W.F, Xie, H, Li, M.J, Xu, Y.C.
Deposit date:2020-12-21
Release date:2021-05-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of pyrogallol as a warhead in design of covalent inhibitors for the SARS-CoV-2 3CL protease.
Nat Commun, 12, 2021
8IL3
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BU of 8il3 by Molmil
Cryo-EM structure of CD38 in complex with FTL004
Descriptor: ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, Heavy chain, Light chain
Authors:Yang, J, Wang, Y, Zhang, G.
Deposit date:2023-03-01
Release date:2023-03-29
Method:ELECTRON MICROSCOPY (3.86 Å)
Cite:FTL004, an anti-CD38 mAb with negligible RBC binding and enhanced pro-apoptotic activity, is a novel candidate for treatments of multiple myeloma and non-Hodgkin lymphoma.
J Hematol Oncol, 15, 2022
7EE5
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BU of 7ee5 by Molmil
Crystal structure of Neu5Gc bound PltC
Descriptor: N-glycolyl-alpha-neuraminic acid, N-glycolyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose, Subtilase cytotoxin subunit B-like protein, ...
Authors:Liu, X.Y, Chen, Z, Gao, X.
Deposit date:2021-03-17
Release date:2021-12-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Molecular Insights into the Assembly and Functional Diversification of Typhoid Toxin.
Mbio, 13, 2022
7EE4
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BU of 7ee4 by Molmil
Crystal structure of Neu5Ac bound PltC
Descriptor: N-acetyl-alpha-neuraminic acid, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose, ...
Authors:Liu, X.Y, Chen, Z, Gao, X.
Deposit date:2021-03-17
Release date:2021-12-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Molecular Insights into the Assembly and Functional Diversification of Typhoid Toxin.
Mbio, 13, 2022
7EE6
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BU of 7ee6 by Molmil
Crystal structure of PltC toxin
Descriptor: ACETONE, CITRATE ANION, Cytolethal distending toxin subunit B family protein, ...
Authors:Liu, X.Y, Chen, Z, Gao, X.
Deposit date:2021-03-17
Release date:2021-12-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Molecular Insights into the Assembly and Functional Diversification of Typhoid Toxin.
Mbio, 13, 2022
7EE3
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BU of 7ee3 by Molmil
Crystal structure of PltC
Descriptor: Subtilase cytotoxin subunit B-like protein, TETRAETHYLENE GLYCOL
Authors:Liu, X.Y, Chen, Z, Gao, X.
Deposit date:2021-03-17
Release date:2021-12-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Molecular Insights into the Assembly and Functional Diversification of Typhoid Toxin.
Mbio, 13, 2022
6M2B
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BU of 6m2b by Molmil
Crystal structure of human dihydroorotate dehydrogenase (DHODH) with S416
Descriptor: 2-[(E)-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-methyl-hydrazinylidene]methyl]benzoic acid, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
Authors:Zhu, L, Li, H.
Deposit date:2020-02-27
Release date:2021-03-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Novel and potent inhibitors targeting DHODH are broad-spectrum antivirals against RNA viruses including newly-emerged coronavirus SARS-CoV-2.
Protein Cell, 11, 2020
5WBU
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BU of 5wbu by Molmil
Crystal structure of mTOR(deltaN)-mLST8-PRAS40(alpha-helix & beta-strand) complex
Descriptor: Proline-rich AKT1 substrate 1, Serine/threonine-protein kinase mTOR, Target of rapamycin complex subunit LST8
Authors:Pavletich, N.P, Yang, H.
Deposit date:2017-06-29
Release date:2017-12-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.42 Å)
Cite:Mechanisms of mTORC1 activation by RHEB and inhibition by PRAS40.
Nature, 552, 2017
5WBY
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BU of 5wby by Molmil
Crystal structure of mTOR(deltaN)-mLST8-PRAS40(beta-strand) complex
Descriptor: Proline-rich AKT1 substrate 1, Serine/threonine-protein kinase mTOR, Target of rapamycin complex subunit LST8
Authors:Pavletich, N.P, Yang, H.
Deposit date:2017-06-29
Release date:2017-12-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Mechanisms of mTORC1 activation by RHEB and inhibition by PRAS40.
Nature, 552, 2017
5XLT
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BU of 5xlt by Molmil
The crystal structure of tubulin in complex with 4'-demethylepipodophyllotoxin
Descriptor: (5S,5aR,8aR,9R)-9-(3,5-dimethoxy-4-oxidanyl-phenyl)-5-oxidanyl-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Yu, Y, Chen, Q.
Deposit date:2017-05-11
Release date:2017-09-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.813 Å)
Cite:Structure of 4'-demethylepipodophyllotoxin in complex with tubulin provides a rationale for drug design
Biochem. Biophys. Res. Commun., 493, 2017
5WBH
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BU of 5wbh by Molmil
Structure of the FRB domain of mTOR bound to a substrate recruitment peptide of S6K1
Descriptor: Ribosomal protein S6 kinase beta-1, Serine/threonine-protein kinase mTOR
Authors:Pavletich, N.P, Yang, H.
Deposit date:2017-06-29
Release date:2017-12-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Mechanisms of mTORC1 activation by RHEB and inhibition by PRAS40.
Nature, 552, 2017
7Y3E
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BU of 7y3e by Molmil
Cryo-EM structure of Arabidopsis thaliana SOS1 in an occluded state
Descriptor: HEXADECANE, Sodium/hydrogen exchanger 7
Authors:Wang, Y, Zhao, Y, Gao, Y.
Deposit date:2022-06-10
Release date:2023-08-09
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Architecture and autoinhibitory mechanism of the plasma membrane Na + /H + antiporter SOS1 in Arabidopsis.
Nat Commun, 14, 2023
7VWP
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BU of 7vwp by Molmil
Structure of the flavin-dependent monooxygenase FlsO1 from the biosynthesis of fluostatinsin
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, FlsO1, PHOSPHATE ION, ...
Authors:Zhang, Y, Yang, C, Zhang, L, Zhang, C.
Deposit date:2021-11-11
Release date:2022-09-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Biochemical and structural insights of multifunctional flavin-dependent monooxygenase FlsO1-catalyzed unexpected xanthone formation
Nat Commun, 13, 2022
8HYA
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BU of 8hya by Molmil
Cryo-EM structure of Arabidopsis thaliana SOS1 in an occluded state, with expanded TMD
Descriptor: HEXADECANE, Sodium/hydrogen exchanger 7
Authors:Wang, Y, Zhao, Y, Gao, Y.
Deposit date:2023-01-06
Release date:2023-08-09
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Architecture and autoinhibitory mechanism of the plasma membrane Na + /H + antiporter SOS1 in Arabidopsis.
Nat Commun, 14, 2023
7EOB
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BU of 7eob by Molmil
Crystal structure of KIF1A Motor-Neck domain E239K mutant with ADP-Mg-AlFx
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, Kinesin-like protein KIF1A, ...
Authors:Ogawa, T, Jiang, X, Hirokawa, N.
Deposit date:2021-04-21
Release date:2021-12-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:A neuropathy-associated kinesin KIF1A mutation hyper-stabilizes the motor-neck interaction during the ATPase cycle.
Embo J., 41, 2022
7EO9
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BU of 7eo9 by Molmil
Crystal structure of KIF1A Motor-Neck domain with ADP-Mg-AlFx
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, Kinesin-like protein KIF1A, ...
Authors:Ogawa, T, Jiang, X, Hirokawa, N.
Deposit date:2021-04-21
Release date:2021-12-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:A neuropathy-associated kinesin KIF1A mutation hyper-stabilizes the motor-neck interaction during the ATPase cycle.
Embo J., 41, 2022

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