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6LHE
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BU of 6lhe by Molmil
Crystal Structure of Gold-bound NDM-1
Descriptor: GOLD ION, Metallo-beta-lactamase type 2, SULFATE ION
Authors:Wang, H, Sun, H, Wang, M.
Deposit date:2019-12-07
Release date:2020-09-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.206 Å)
Cite:Resensitizing carbapenem- and colistin-resistant bacteria to antibiotics using auranofin.
Nat Commun, 11, 2020
6M89
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BU of 6m89 by Molmil
Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with quercetin
Descriptor: 3,5,7,3',4'-PENTAHYDROXYFLAVONE, Inositol polyphosphate multikinase,Inositol polyphosphate multikinase
Authors:Wang, H, Shears, S.B.
Deposit date:2018-08-21
Release date:2019-01-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Inhibition of Inositol Polyphosphate Kinases by Quercetin and Related Flavonoids: A Structure-Activity Analysis.
J. Med. Chem., 62, 2019
6FLH
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BU of 6flh by Molmil
Monomeric Human Cu,Zn Superoxide dismutase, SOD1 7+7, apo form
Descriptor: GLYCEROL, SULFATE ION, Superoxide dismutase [Cu-Zn]
Authors:Wang, H, Yang, F, Logan, D, Oliveberg, M.
Deposit date:2018-01-25
Release date:2018-11-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:The Cost of Long Catalytic Loops in Folding and Stability of the ALS-Associated Protein SOD1.
J.Am.Chem.Soc., 140, 2018
6O60
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BU of 6o60 by Molmil
Crystal structure of GGTase3-FBXL2-SKP1 complex
Descriptor: F-box/LRR-repeat protein 2, Geranylgeranyl transferase type-2 subunit beta, Protein prenyltransferase alpha subunit repeat-containing protein 1, ...
Authors:Wang, H, Zheng, N.
Deposit date:2019-03-04
Release date:2019-06-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.503 Å)
Cite:GGTase3 is a newly identified geranylgeranyltransferase targeting a ubiquitin ligase.
Nat.Struct.Mol.Biol., 26, 2019
6QIM
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BU of 6qim by Molmil
Structure of AtPIP2;4
Descriptor: Probable aquaporin PIP2-4
Authors:Schoebel, S, Wang, H.
Deposit date:2019-01-21
Release date:2019-11-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Characterization of aquaporin-driven hydrogen peroxide transport.
Biochim Biophys Acta Biomembr, 1862, 2020
7SBF
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BU of 7sbf by Molmil
PZM21 bound Mu Opioid Receptor-Gi Protein Complex
Descriptor: 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, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Huang, W, Qu, Q, Wang, H, Skiniotis, G, Kobilka, B.
Deposit date:2021-09-24
Release date:2022-04-20
Last modified:2025-05-28
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structure-Based Evolution of G Protein-Biased mu-Opioid Receptor Agonists.
Angew.Chem.Int.Ed.Engl., 61, 2022
4XCR
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BU of 4xcr by Molmil
Monomeric Human Cu,Zn Superoxide dismutase, loops IV and VII deleted, apo form, mutant I35A
Descriptor: Superoxide dismutase [Cu-Zn]
Authors:Wang, H, Logan, D.T, Danielsson, J, Mu, X, Binolfi, A, Theillet, F, Bekei, B, Lang, L, Wennerstrom, H, Selenko, P, Oliveberg, M.
Deposit date:2014-12-18
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.602 Å)
Cite:Thermodynamics of protein destabilization in live cells.
Proc. Natl. Acad. Sci. U.S.A., 112, 2015
6LIU
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BU of 6liu by Molmil
Crystal structure of apo Tyrosine decarboxylase
Descriptor: Tyrosine/DOPA decarboxylase 2
Authors:Yu, J, Wang, H, Yao, M.
Deposit date:2019-12-13
Release date:2020-02-12
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structures clarify cofactor binding of plant tyrosine decarboxylase.
Biochem.Biophys.Res.Commun., 2019
6LZH
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BU of 6lzh by Molmil
Crystal structure of Alpha/beta hydrolase GrgF from Penicillium sp. sh18
Descriptor: GrgF, SODIUM ION
Authors:Wang, H, Yu, J, Wang, W.G, Matsuda, Y, Yao, M.
Deposit date:2020-02-19
Release date:2020-06-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular Basis for the Biosynthesis of an Unusual Chain-Fused Polyketide, Gregatin A.
J.Am.Chem.Soc., 142, 2020
6LK6
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BU of 6lk6 by Molmil
MLKL mutant - T357AS358A
Descriptor: Mixed lineage kinase domain-like protein
Authors:Wang, H, Li, S, Zhang, Y.
Deposit date:2019-12-18
Release date:2020-12-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:The MLKL kinase-like domain dimerization is an indispensable step of mammalian MLKL activation in necroptosis signaling.
Cell Death Dis, 12, 2021
6M8D
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BU of 6m8d by Molmil
Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with diosmetin
Descriptor: 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one, Inositol polyphosphate multikinase,Inositol polyphosphate multikinase
Authors:Wang, H, Shears, S.B.
Deposit date:2018-08-21
Release date:2019-01-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Inhibition of Inositol Polyphosphate Kinases by Quercetin and Related Flavonoids: A Structure-Activity Analysis.
J. Med. Chem., 62, 2019
6LMJ
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BU of 6lmj by Molmil
ASFV pA104R in complex with double-strand DNA
Descriptor: A104R, DNA (5'-D(*TP*GP*CP*TP*TP*AP*TP*CP*AP*AP*TP*TP*TP*GP*TP*TP*GP*CP*A)-3')
Authors:Wang, H, Qi, J, Chai, Y, Gao, F, Liu, R.
Deposit date:2019-12-25
Release date:2020-05-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The structural basis of African swine fever virus pA104R binding to DNA and its inhibition by stilbene derivatives.
Proc.Natl.Acad.Sci.USA, 117, 2020
6M8B
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BU of 6m8b by Molmil
Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with kaempferol
Descriptor: 3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-4H-CHROMEN-4-ONE, Inositol polyphosphate multikinase,Inositol polyphosphate multikinase
Authors:Wang, H, Shears, S.B.
Deposit date:2018-08-21
Release date:2019-01-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Inhibition of Inositol Polyphosphate Kinases by Quercetin and Related Flavonoids: A Structure-Activity Analysis.
J. Med. Chem., 62, 2019
6LMH
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BU of 6lmh by Molmil
Structure of an ASFV-derived histone-like protein pA104R
Descriptor: pA104R
Authors:Wang, H, Qi, J, Chai, Y, Gao, F.
Deposit date:2019-12-25
Release date:2020-05-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.805 Å)
Cite:The structural basis of African swine fever virus pA104R binding to DNA and its inhibition by stilbene derivatives.
Proc.Natl.Acad.Sci.USA, 117, 2020
6M88
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BU of 6m88 by Molmil
Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with myricetin
Descriptor: 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, Inositol polyphosphate multikinase,Inositol polyphosphate multikinase
Authors:Wang, H, Shears, S.B.
Deposit date:2018-08-21
Release date:2019-01-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Inhibition of Inositol Polyphosphate Kinases by Quercetin and Related Flavonoids: A Structure-Activity Analysis.
J. Med. Chem., 62, 2019
6M8C
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BU of 6m8c by Molmil
Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with isorhamnetin
Descriptor: Inositol polyphosphate multikinase,Inositol polyphosphate multikinase, isorhamnetin
Authors:Wang, H, Shears, S.B.
Deposit date:2018-08-21
Release date:2019-01-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Inhibition of Inositol Polyphosphate Kinases by Quercetin and Related Flavonoids: A Structure-Activity Analysis.
J. Med. Chem., 62, 2019
6M8E
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BU of 6m8e by Molmil
Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with rhamnetin
Descriptor: 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4H-1-benzopyran-4-one, Inositol polyphosphate multikinase,Inositol polyphosphate multikinase
Authors:Wang, H, Shears, S.B.
Deposit date:2018-08-21
Release date:2019-01-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Inhibition of Inositol Polyphosphate Kinases by Quercetin and Related Flavonoids: A Structure-Activity Analysis.
J. Med. Chem., 62, 2019
6M8A
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BU of 6m8a by Molmil
Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with luteolin
Descriptor: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, Inositol polyphosphate multikinase,Inositol polyphosphate multikinase
Authors:Wang, H, Shears, S.B.
Deposit date:2018-08-21
Release date:2019-01-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Inhibition of Inositol Polyphosphate Kinases by Quercetin and Related Flavonoids: A Structure-Activity Analysis.
J. Med. Chem., 62, 2019
6CHU
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BU of 6chu by Molmil
CRYSTAL STRUCTURE OF PROTEIN CITE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH MAGNESIUM AND ACETATE
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Citrate lyase subunit beta-like protein, ...
Authors:Fedorov, A.A, Fedorov, E.V, Wang, H, Bonanno, J.B, Carvalho, L, Almo, S.C.
Deposit date:2018-02-23
Release date:2018-08-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:An essential bifunctional enzyme inMycobacterium tuberculosisfor itaconate dissimilation and leucine catabolism.
Proc.Natl.Acad.Sci.USA, 116, 2019
6CJ3
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BU of 6cj3 by Molmil
CRYSTAL STRUCTURE OF PROTEIN CITE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH MAGNESIUM AND PYRUVATE
Descriptor: ACETATE ION, Citrate lyase subunit beta-like protein, MAGNESIUM ION, ...
Authors:Fedorov, E.V, Fedorov, A.A, Wang, H, Bonanno, J.B, Carvalho, L, Almo, S.C.
Deposit date:2018-02-26
Release date:2018-08-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:An essential bifunctional enzyme inMycobacterium tuberculosisfor itaconate dissimilation and leucine catabolism.
Proc.Natl.Acad.Sci.USA, 116, 2019
6CJ4
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BU of 6cj4 by Molmil
CRYSTAL STRUCTURE OF PROTEIN CITE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH MAGNESIUM AND ACETOACETATE
Descriptor: ACETATE ION, ACETOACETIC ACID, Citrate lyase subunit beta-like protein, ...
Authors:Fedorov, A.A, Fedorov, E.V, Wang, H, Bonanno, J.B, Carvalho, L, Almo, S.C.
Deposit date:2018-02-26
Release date:2018-08-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:An essential bifunctional enzyme inMycobacterium tuberculosisfor itaconate dissimilation and leucine catabolism.
Proc.Natl.Acad.Sci.USA, 116, 2019
9DN3
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BU of 9dn3 by Molmil
Crystal Structure of Human Inositol 1,3,4-Trisphosphate 5/6-kinase (ITPK1) in Complex with an Inhibitor 9-cylcopentyladenine
Descriptor: 9-cyclopentyl-9H-purin-6-amine, Inositol-tetrakisphosphate 1-kinase, SULFATE ION
Authors:Wang, H.
Deposit date:2024-09-16
Release date:2025-02-19
Last modified:2025-03-19
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Biochemical and biophysical characterization of inositol-tetrakisphosphate 1-kinase inhibitors.
J.Biol.Chem., 301, 2025
7U2L
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BU of 7u2l by Molmil
C5guano-uOR-Gi-scFv16
Descriptor: 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, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Wang, H, Qu, Q, Skiniotis, G, Kobilka, B.
Deposit date:2022-02-24
Release date:2022-05-04
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structure-based design of bitopic ligands for the μ-opioid receptor.
Nature, 613, 2023
5DJU
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BU of 5dju by Molmil
Crystal structure of LOV2 (C450A) domain in complex with Zdk3
Descriptor: CHLORIDE ION, Engineered protein, Zdk3 affibody, ...
Authors:Tarnawski, M, Wang, H, Yumerefendi, H, Hahn, K.M, Schlichting, I.
Deposit date:2015-09-02
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:LOVTRAP: an optogenetic system for photoinduced protein dissociation.
Nat.Methods, 13, 2016
5DJT
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BU of 5djt by Molmil
Crystal structure of LOV2 (C450A) domain in complex with Zdk2
Descriptor: CHLORIDE ION, COPPER (II) ION, Engineered protein, ...
Authors:Tarnawski, M, Wang, H, Yumerefendi, H, Hahn, K.M, Schlichting, I.
Deposit date:2015-09-02
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:LOVTRAP: an optogenetic system for photoinduced protein dissociation.
Nat.Methods, 13, 2016

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