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6VG7
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BU of 6vg7 by Molmil
De novo designed Rossmann fold protein ROS2_49223
Descriptor: De novo designed protein RO2_25
Authors:Pan, X, Zhang, Y, Kelly, M, Kortemme, T.
Deposit date:2020-01-07
Release date:2020-08-19
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Expanding the space of protein geometries by computational design of de novo fold families.
Science, 369, 2020
7XQE
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BU of 7xqe by Molmil
Crystal Structure of human RORgamma (C455E) LBD in complex with compound XY039
Descriptor: 2,4-difluoro-N-(1-((4-(trifluoromethyl)benzyl)sulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide, ETHANOL, GLYCEROL, ...
Authors:Wu, X, Li, C, Zhang, Y, Xu, Y.
Deposit date:2022-05-07
Release date:2023-05-31
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Discovery and pharmacological characterization of 1,2,3,4-tetrahydroquinoline derivatives as ROR gamma inverse agonists against prostate cancer.
Acta Pharmacol.Sin., 2024
6VGA
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BU of 6vga by Molmil
De novo designed Rossmann fold protein ROS2_835
Descriptor: De novo designed protein RO2_1
Authors:Pan, X, Zhang, Y, Kelly, M, Kortemme, T.
Deposit date:2020-01-07
Release date:2020-08-19
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Expanding the space of protein geometries by computational design of de novo fold families.
Science, 369, 2020
6VGB
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BU of 6vgb by Molmil
De novo designed Rossmann fold protein ROS2_36830
Descriptor: De novo designed protein RO2_20
Authors:Pan, X, Zhang, Y, Kelly, M, Kortemme, T.
Deposit date:2020-01-07
Release date:2020-08-19
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Expanding the space of protein geometries by computational design of de novo fold families.
Science, 369, 2020
2M19
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BU of 2m19 by Molmil
Solution structure of the Haloferax volcanii HVO 2177 protein
Descriptor: Molybdopterin converting factor subunit 1
Authors:Li, Y, Maciejewski, M.W, Martin, J, Jin, K, Zhang, Y, Lu, M, Maupin-Furlow, J.A, Hao, B.
Deposit date:2012-11-21
Release date:2013-08-07
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Crystal structure of the ubiquitin-like small archaeal modifier protein 2 from Haloferax volcanii.
Protein Sci., 22, 2013
6VLS
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BU of 6vls by Molmil
Structure of C-terminal fragment of Vip3A toxin
Descriptor: DI(HYDROXYETHYL)ETHER, Maltose/maltodextrin-binding periplasmic protein,Vip3Aa
Authors:Jiang, K, Zhang, Y, Chen, Z, Gao, X.
Deposit date:2020-01-25
Release date:2020-07-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural and Functional Insights into the C-terminal Fragment of Insecticidal Vip3A Toxin ofBacillus thuringiensis.
Toxins, 12, 2020
7NHE
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BU of 7nhe by Molmil
Crystal structure of Arabidopsis thaliana Pdx1K166R-I333 complex
Descriptor: PHOSPHATE ION, Pyridoxal 5'-phosphate synthase subunit PDX1.3, [(~{E},4~{S})-4-azanyl-3-oxidanylidene-pent-1-enyl] dihydrogen phosphate
Authors:Rodrigues, M.J, Zhang, Y, Bolton, R, Evans, G, Giri, N, Royant, A, Begley, T, Ealick, S.E, Tews, I.
Deposit date:2021-02-10
Release date:2021-12-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Trapping and structural characterisation of a covalent intermediate in vitamin B 6 biosynthesis catalysed by the Pdx1 PLP synthase.
Rsc Chem Biol, 3, 2022
7NHF
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BU of 7nhf by Molmil
Crystal structure of Arabidopsis thaliana Pdx1K166R
Descriptor: PHOSPHATE ION, Pyridoxal 5'-phosphate synthase subunit PDX1.3
Authors:Rodrigues, M.J, Zhang, Y, Bolton, R, Evans, G, Giri, N, Royant, A, Begley, T, Ealick, S.E, Tews, I.
Deposit date:2021-02-10
Release date:2021-12-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Trapping and structural characterisation of a covalent intermediate in vitamin B 6 biosynthesis catalysed by the Pdx1 PLP synthase.
Rsc Chem Biol, 3, 2022
8XZF
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BU of 8xzf by Molmil
Cryo-EM structure of the WN561-bound human APLNR-Gi complex
Descriptor: Apelin receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Wang, W, Ji, S, Zhang, Y.
Deposit date:2024-01-21
Release date:2024-03-20
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structure-based design of non-hypertrophic apelin receptor modulator.
Cell, 187, 2024
8XZJ
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BU of 8xzj by Molmil
Cryo-EM structure of the WN353-bound human APLNR-Gi complex
Descriptor: Apelin receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Wang, W, Ji, S, Zhang, Y.
Deposit date:2024-01-21
Release date:2024-03-20
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structure-based design of non-hypertrophic apelin receptor modulator.
Cell, 187, 2024
8XZH
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BU of 8xzh by Molmil
Cryo-EM structure of the MM07-bound human APLNR-Gi complex
Descriptor: Apelin receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Wang, W, Ji, S, Zhang, Y.
Deposit date:2024-01-21
Release date:2024-03-20
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structure-based design of non-hypertrophic apelin receptor modulator.
Cell, 187, 2024
7N4Z
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BU of 7n4z by Molmil
Complex structure of NOS4 with noscapine
Descriptor: NOS4, SULFATE ION, noscapine
Authors:Kim, W, Zhang, Y.
Deposit date:2021-06-04
Release date:2022-06-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Using fungible biosensors to evolve improved alkaloid biosyntheses.
Nat.Chem.Biol., 18, 2022
8XZI
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BU of 8xzi by Molmil
Cryo-EM structure of the CMF-019-bound human APLNR-Gi complex
Descriptor: (3~{S})-5-methyl-3-[[1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]carbonylamino]hexanoic acid, Apelin receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Wang, W, Ji, S, Zhang, Y.
Deposit date:2024-01-21
Release date:2024-03-20
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structure-based design of non-hypertrophic apelin receptor modulator.
Cell, 187, 2024
7N53
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BU of 7n53 by Molmil
Complex structure of PAP4 with papaverine
Descriptor: 1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXYISOQUINOLINE, GLYCEROL, PAP4, ...
Authors:Kim, W, Zhang, Y.
Deposit date:2021-06-04
Release date:2022-06-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Using fungible biosensors to evolve improved alkaloid biosyntheses.
Nat.Chem.Biol., 18, 2022
7N54
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BU of 7n54 by Molmil
Complex structure of GLAU4 with glaucine
Descriptor: GLAU4, SULFATE ION, glaucine
Authors:Kim, W, Zhang, Y.
Deposit date:2021-06-04
Release date:2022-06-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Using fungible biosensors to evolve improved alkaloid biosyntheses.
Nat.Chem.Biol., 18, 2022
8XZG
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BU of 8xzg by Molmil
Cryo-EM structure of the [Pyr1]-apelin-13-bound human APLNR-Gi complex
Descriptor: Apelin receptor, Apelin-13, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Wang, W, Ji, S, Zhang, Y.
Deposit date:2024-01-21
Release date:2024-03-27
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structure-based design of non-hypertrophic apelin receptor modulator.
Cell, 187, 2024
7NTH
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BU of 7nth by Molmil
Structure of TAK1 in complex with compound 54
Descriptor: 2-[[5-[[2-[bis(fluoranyl)methoxy]phenyl]methyl-[(2~{R})-1-(methylamino)-1-oxidanylidene-propan-2-yl]carbamoyl]-1~{H}-imidazol-2-yl]carbonyl]isoindole-5-carboxamide, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Veerman, J.J.N, Bruseker, Y.B, Damen, E, Heijne, E.H, van Bruggen, W, Hekking, K.F.W, Winkel, R, Hupp, C.D, Keefe, A.D, Liu, J, Thomson, H.A, Zhang, Y, Cuozzo, J.W, McRiner, A.J, Mulvihill, M.J, van Rijnsbergen, P, Zech, B, Renzetti, L.M, Babiss, L, Mueller, G.
Deposit date:2021-03-09
Release date:2021-04-07
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Discovery of 2,4-1 H -Imidazole Carboxamides as Potent and Selective TAK1 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
7NTI
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BU of 7nti by Molmil
Structure of TAK1 in complex with compound 22
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, Mitogen-activated protein kinase 7,TGF-beta-activated kinase 1 and MAP3K7-binding protein 1, ...
Authors:Veerman, J.J.N, Bruseker, Y.B, Damen, E, Heijne, E.H, van Bruggen, W, Hekking, K.F.W, Winkel, R, Hupp, C.D, Keefe, A.D, Liu, J, Thomson, H.A, Zhang, Y, Cuozzo, J.W, McRiner, A.J, Mulvihill, M.J, van Rijnsbergen, P, Zech, B, Renzetti, L.M, Babiss, L, Mueller, G.
Deposit date:2021-03-09
Release date:2021-04-07
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Discovery of 2,4-1 H -Imidazole Carboxamides as Potent and Selective TAK1 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
2B6B
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BU of 2b6b by Molmil
Cryo EM structure of Dengue complexed with CRD of DC-SIGN
Descriptor: CD209 antigen, envelope glycoprotein
Authors:Pokidysheva, E, Zhang, Y, Battisti, A.J, Bator-Kelly, C.M, Chipman, P.R, Gregorio, G, Hendrickson, W.A, Kuhn, R.J, Rossmann, M.G.
Deposit date:2005-09-30
Release date:2006-03-07
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (25 Å)
Cite:Cryo-EM reconstruction of dengue virus in complex with the carbohydrate recognition domain of DC-SIGN
Cell(Cambridge,Mass.), 124, 2006
3BGW
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BU of 3bgw by Molmil
The Structure Of A DnaB-Like Replicative Helicase And Its Interactions With Primase
Descriptor: DNAB-Like Replicative Helicase
Authors:Wang, G, Klein, M.G, Tokonzaba, E, Zhang, Y, Holden, L.G, Chen, X.S.
Deposit date:2007-11-27
Release date:2007-12-25
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.91 Å)
Cite:The structure of a DnaB-family replicative helicase and its interactions with primase.
Nat.Struct.Mol.Biol., 15, 2008
3BH0
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BU of 3bh0 by Molmil
ATPase Domain of G40P
Descriptor: DNAB-LIKE REPLICATIVE HELICASE
Authors:Wang, G, Klein, M.G, Tokonzaba, E, Zhang, Y, Holden, L.G, Chen, X.S.
Deposit date:2007-11-27
Release date:2007-12-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The structure of a DnaB-family replicative helicase and its interactions with primase.
Nat.Struct.Mol.Biol., 15, 2008
7XTQ
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BU of 7xtq by Molmil
Cryo-EM structure of the R399-bound GPBAR-Gs complex
Descriptor: G-protein coupled bile acid receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Ma, L, Yang, F, Wu, X, Mao, C, Sun, J, Yu, X, Zhang, Y, Zhang, P.
Deposit date:2022-05-17
Release date:2022-07-06
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis and molecular mechanism of biased GPBAR signaling in regulating NSCLC cell growth via YAP activity.
Proc.Natl.Acad.Sci.USA, 119, 2022
3CIU
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BU of 3ciu by Molmil
Site-Selective Glycosylation of Cysteine-93 beta on the Surface of Bovine Hemoglobin and its Application as a Novel Oxygen Therapeutic
Descriptor: 5-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-{2-[(4-O-alpha-D-idopyranosyl-alpha-D-mannopyranosyl)oxy]ethoxy}ethoxy)ethyl]pentanamide, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Bhatt, V.S, Zhang, Y, Sun, G, Wang, P.G, Palmer, A.F.
Deposit date:2008-03-11
Release date:2008-04-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Site-Selective Glycosylation of Cysteine-93 beta on the Surface of Bovine Hemoglobin and its Application as a Novel Oxygen Therapeutic
To be Published
2ISS
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BU of 2iss by Molmil
Structure of the PLP synthase Holoenzyme from Thermotoga maritima
Descriptor: Glutamine amidotransferase subunit pdxT, PHOSPHATE ION, Pyridoxal biosynthesis lyase pdxS, ...
Authors:Zein, F, Zhang, Y, Kang, Y.N, Burns, K, Begley, T.P, Ealick, S.E.
Deposit date:2006-10-18
Release date:2007-01-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural Insights into the Mechanism of the PLP Synthase Holoenzyme from Thermotoga maritima
Biochemistry, 45, 2006
8ID6
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BU of 8id6 by Molmil
Cryo-EM structure of the oleic acid bound GPR120-Gi complex
Descriptor: Free fatty acid receptor 4, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Mao, C, Xiao, P, Tao, X, Qin, J, He, Q, Zhang, C, Yu, X, Zhang, Y, Sun, J.
Deposit date:2023-02-12
Release date:2023-03-15
Last modified:2023-05-03
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Unsaturated bond recognition leads to biased signal in a fatty acid receptor.
Science, 380, 2023

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