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7DGI
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BU of 7dgi by Molmil
The co-crystal structure of SARS-CoV-2 main protease with peptidomimetic inhibitor N-((S)-3-methyl-1-(((S)-4-methyl-1-oxo-1-(((S)-1-oxo-3-((S)-2-oxopiperidin-3-yl)propan-2-yl)amino)pentan-2-yl)amino)-1-oxobutan-2-yl)-4-nitrobenzamide
Descriptor: 3C-like proteinase, ~{N}-[(2~{S})-3-methyl-1-[[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]-4-nitro-benzamide
Authors:Shang, L.Q, Wang, H.
Deposit date:2020-11-11
Release date:2021-11-24
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.898 Å)
Cite:The structure-based design of peptidomimetic inhibitors against SARS-CoV-2 3C like protease as Potent anti-viral drug candidate.
Eur.J.Med.Chem., 238, 2022
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
6Z1F
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BU of 6z1f by Molmil
CryoEM structure of Rubisco Activase with its substrate Rubisco from Nostoc sp. (strain PCC7120)
Descriptor: 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Wang, H, Bracher, A, Flecken, M, Popilka, L, Hartl, F.U, Hayer-Hartl, M.
Deposit date:2020-05-13
Release date:2020-09-23
Last modified:2025-04-09
Method:ELECTRON MICROSCOPY (2.86 Å)
Cite:Dual Functions of a Rubisco Activase in Metabolic Repair and Recruitment to Carboxysomes.
Cell, 183, 2020
6Z1G
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BU of 6z1g by Molmil
CryoEM structure of the interaction between Rubisco Activase small-subunit-like (SSUL) domain with Rubisco from Nostoc sp. (strain PCC7120)
Descriptor: Ribulose bisphosphate carboxylase large chain, Ribulose bisphosphate carboxylase small chain, Ribulose bisphosphate carboxylase/oxygenase activase
Authors:Wang, H, Bracher, A, Flecken, M, Popilka, L, Hartl, F.U, Hayer-Hartl, M.
Deposit date:2020-05-13
Release date:2020-09-23
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (8.2 Å)
Cite:Dual Functions of a Rubisco Activase in Metabolic Repair and Recruitment to Carboxysomes.
Cell, 183, 2020
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
1UFL
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BU of 1ufl by Molmil
Crystal Structure of TT1020 from Thermus thermophilus HB8
Descriptor: Nitrogen regulatory protein P-II
Authors:Wang, H, Sakai, H, Hori-Takemoto, C, Kaminishi, T, Terada, T, Kuramitsu, S, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2003-05-31
Release date:2003-11-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structures of the signal transducing protein GlnK from Thermus thermophilus HB8.
J.Struct.Biol., 149, 2005
1V3R
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BU of 1v3r by Molmil
Crystal structure of TT1020 from Thermus thermophilus HB8
Descriptor: Nitrogen regulatory protein P-II
Authors:Wang, H, Sakai, H, Takemoto-Hori, C, Kaminishi, T, Yamaguchi, H, Terada, T, Kuramitsu, S, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2003-11-05
Release date:2004-11-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structures of the signal transducing protein GlnK from Thermus thermophilus HB8.
J.Struct.Biol., 149, 2005
1V3S
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BU of 1v3s by Molmil
Crystal structure of TT1020 from Thermus thermophilus HB8
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Nitrogen regulatory protein P-II
Authors:Wang, H, Sakai, H, Takemoto-Hori, C, Kaminishi, T, Terada, T, Kuramitsu, S, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2003-11-05
Release date:2004-11-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structures of the signal transducing protein GlnK from Thermus thermophilus HB8.
J.Struct.Biol., 149, 2005
1V9O
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BU of 1v9o by Molmil
Crystal structure of TT1020 from Thermus thermophilus HB8
Descriptor: ADENOSINE-5'-DIPHOSPHATE, NITROGEN REGULATORY PROTEIN PII
Authors:Wang, H, Sakai, H, Takemoto-Hori, C, Kaminishi, T, Terada, T, Kuramitsu, S, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2004-01-27
Release date:2005-01-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of the signal transducing protein GlnK from Thermus thermophilus HB8.
J.Struct.Biol., 149, 2005
8Y1Z
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BU of 8y1z by Molmil
Crystal structure of the Mcl-1 in complex with a Short BH3 peptide of BAK
Descriptor: Induced myeloid leukemia cell differentiation protein Mcl-1, Short BH3 peptide from Bcl-2 homologous antagonist/killer
Authors:Wang, H, Guo, M, Wei, H, Chen, Y.
Deposit date:2024-01-25
Release date:2025-01-29
Last modified:2025-02-19
Method:X-RAY DIFFRACTION (1.914 Å)
Cite:Deciphering molecular specificity in MCL-1/BAK interaction and its implications for designing potent MCL-1 inhibitors.
Cell Death Differ., 2025
8Y1Y
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BU of 8y1y by Molmil
Crystal structure of the Mcl-1 in complex with a long BH3 peptide of BAK
Descriptor: BH3 peptide from Bcl-2 homologous antagonist/killer, Induced myeloid leukemia cell differentiation protein Mcl-1, ZINC ION
Authors:Wang, H, Guo, M, Wei, H, Chen, Y.
Deposit date:2024-01-25
Release date:2025-01-29
Last modified:2025-02-19
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Deciphering molecular specificity in MCL-1/BAK interaction and its implications for designing potent MCL-1 inhibitors.
Cell Death Differ., 2025
8Y20
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BU of 8y20 by Molmil
Crystal structure of the Mcl-1 in complex with A-1210477
Descriptor: A-1210477, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Wang, H, Guo, M, Wei, H, Chen, Y.
Deposit date:2024-01-25
Release date:2025-01-29
Last modified:2025-02-19
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Deciphering molecular specificity in MCL-1/BAK interaction and its implications for designing potent MCL-1 inhibitors.
Cell Death Differ., 2025
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:2024-10-23
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
8TYV
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BU of 8tyv by Molmil
Crystal structure of the SPX domain of XPR1 in complex with IP8
Descriptor: (1R,3S,4R,5S,6R)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl bis[trihydrogen (diphosphate)], Solute carrier family 53 member 1
Authors:Wang, H, Shears, S.B.
Deposit date:2023-08-25
Release date:2024-06-12
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Homeostatic coordination of cellular phosphate uptake and efflux requires an organelle-based receptor for the inositol pyrophosphate IP8.
Cell Rep, 43, 2024
8TYU
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BU of 8tyu by Molmil
High-resolution crystal structure of the SPX domain of XPR1 at 1.4 angstroms
Descriptor: Solute carrier family 53 member 1
Authors:Wang, H, Shears, S.B.
Deposit date:2023-08-25
Release date:2024-06-12
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Homeostatic coordination of cellular phosphate uptake and efflux requires an organelle-based receptor for the inositol pyrophosphate IP8.
Cell Rep, 43, 2024
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
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
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
1VFJ
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BU of 1vfj by Molmil
Crystal structure of TT1020 from Thermus thermophilus HB8
Descriptor: nitrogen regulatory protein p-II
Authors:Wang, H, Sakai, H, Takemoto-Hori, C, Kaminishi, T, Terada, T, Kuramitsu, S, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2004-04-15
Release date:2005-01-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structures of the signal transducing protein GlnK from Thermus thermophilus HB8
J.STRUCT.BIOL., 149, 2005
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
7F3B
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BU of 7f3b by Molmil
cocrystallization of Escherichia coli dihydrofolate reductase (DHFR) and its pyrrolo[3,2-f]quinazoline inhibitor.
Descriptor: 7-[(2-fluorophenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine, Dihydrofolate reductase, GLYCEROL
Authors:Wang, H, You, X.F, Yang, X.Y, Li, Y, Hong, W.
Deposit date:2021-06-16
Release date:2022-04-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:The discovery of 1, 3-diamino-7H-pyrrol[3, 2-f]quinazoline compounds as potent antimicrobial antifolates.
Eur.J.Med.Chem., 228, 2022
2QLK
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BU of 2qlk by Molmil
Adenovirus AD35 fibre head
Descriptor: Fiber, GLYCEROL
Authors:Liaw, Y.-C, Amiraslanov, I, Wang, H, Lieber, A.
Deposit date:2007-07-13
Release date:2008-02-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Identification of CD46 binding sites within the adenovirus serotype 35 fiber knob
J.Virol., 81, 2007

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數據於2025-04-09公開中

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