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5IP0
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BU of 5ip0 by Molmil
PHA Binding Protein PhaP (Phasin)
分子名称: CADMIUM ION, PHA granule-associated protein
著者Chen, G.Q, Wang, X.Q, Zhao, H.Y.
登録日2016-03-09
公開日2017-01-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural Insights on PHA Binding Protein PhaP from Aeromonas hydrophila
Sci Rep, 6, 2016
6M79
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BU of 6m79 by Molmil
Cryo-EM structure of Arabidopsis CRY under blue light-mediated activation
分子名称: ADENOSINE MONOPHOSPHATE, Cryptochrome-2, FLAVIN-ADENINE DINUCLEOTIDE
著者Ma, L, Guan, Z.Y, Yin, P.
登録日2020-03-18
公開日2020-10-14
最終更新日2021-08-04
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural insights into the photoactivation of Arabidopsis CRY2.
Nat.Plants, 6, 2020
5YUD
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BU of 5yud by Molmil
Flagellin derivative in complex with the NLR protein NAIP5
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Baculoviral IAP repeat-containing protein 1e, Phase 2 flagellin,Flagellin
著者Yang, X.R, Yang, F, Wang, W.G, Lin, G.Z.
登録日2017-11-21
公開日2018-01-03
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.28 Å)
主引用文献Structural basis for specific flagellin recognition by the NLR protein NAIP5.
Cell Res., 28, 2018
6BPS
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BU of 6bps by Molmil
Crystal structure of cysteine-bound ferrous form of the uncrosslinked F2-Tyr157 human cysteine dioxygenase
分子名称: CYSTEINE, Cysteine dioxygenase type 1, FE (II) ION, ...
著者Liu, A, Li, J, Shin, I.
登録日2017-11-26
公開日2018-07-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Cleavage of a carbon-fluorine bond by an engineered cysteine dioxygenase.
Nat. Chem. Biol., 14, 2018
6BPV
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BU of 6bpv by Molmil
Crystal structure of cysteine-bound ferrous form of the matured F2-Tyr157 human cysteine dioxygenase
分子名称: CYSTEINE, Cysteine dioxygenase type 1, FE (II) ION, ...
著者Liu, A, Li, J, Shin, I.
登録日2017-11-26
公開日2018-07-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Cleavage of a carbon-fluorine bond by an engineered cysteine dioxygenase.
Nat. Chem. Biol., 14, 2018
6BGF
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BU of 6bgf by Molmil
Crystal structure of cysteine-bound ferrous form of the crosslinked human cysteine dioxygenase
分子名称: CYSTEINE, Cysteine dioxygenase type 1, FE (II) ION, ...
著者Liu, A, Li, J, Shin, I.
登録日2017-10-28
公開日2017-12-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.251 Å)
主引用文献Cleavage of a carbon-fluorine bond by an engineered cysteine dioxygenase.
Nat.Chem.Biol., 14, 2018
8HNB
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BU of 8hnb by Molmil
Cryo-EM structure of human OATP1B1 in apo state
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Solute carrier organic anion transporter family member 1B1
著者Shan, Z, Yang, X, Zhang, Y.
登録日2022-12-07
公開日2023-09-13
最終更新日2023-12-20
実験手法ELECTRON MICROSCOPY (3.53 Å)
主引用文献Cryo-EM structures of human organic anion transporting polypeptide OATP1B1.
Cell Res., 33, 2023
8HNH
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Cryo-EM structure of human OATP1B1 in complex with simeprevir
分子名称: (2R,3aR,10Z,11aS,12aR,14aR)-N-(cyclopropylsulfonyl)-2-({7-methoxy-8-methyl-2-[4-(1-methylethyl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Shan, Z, Yang, X, Zhang, Y.
登録日2022-12-07
公開日2023-09-13
最終更新日2023-12-20
実験手法ELECTRON MICROSCOPY (3.73 Å)
主引用文献Cryo-EM structures of human organic anion transporting polypeptide OATP1B1.
Cell Res., 33, 2023
8HLE
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BU of 8hle by Molmil
Structure of DddY-DMSOP complex
分子名称: 3-[dimethyl(oxidanyl)-$l^{4}-sulfanyl]propanoic acid, DMSP lyase DddY, ZINC ION
著者Peng, M, Li, C.Y, Zhang, Y.Z.
登録日2022-11-30
公開日2023-10-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献DMSOP-cleaving enzymes are diverse and widely distributed in marine microorganisms.
Nat Microbiol, 8, 2023
1D9K
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BU of 1d9k by Molmil
CRYSTAL STRUCTURE OF COMPLEX BETWEEN D10 TCR AND PMHC I-AK/CA
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CONALBUMIN PEPTIDE, ...
著者Reinherz, E.L, Tan, K, Tang, L, Kern, P, Liu, J.-H, Xiong, Y, Hussey, R.E, Smolyar, A, Hare, B, Zhang, R, Joachimiak, A, Chang, H.-C, Wagner, G, Wang, J.-H.
登録日1999-10-28
公開日1999-12-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献The crystal structure of a T cell receptor in complex with peptide and MHC class II.
Science, 286, 1999
8I6V
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BU of 8i6v by Molmil
Cryo-EM structure of the polyphosphate polymerase VTC complex(Vtc4/Vtc3/Vtc1)
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, MANGANESE (II) ION, PHOSPHATE ION, ...
著者Mayer, A, Wu, S, Ye, S.
登録日2023-01-29
公開日2023-03-01
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.06 Å)
主引用文献Cryo-EM structure of the polyphosphate polymerase VTC reveals coupling of polymer synthesis to membrane transit.
Embo J., 42, 2023
7K5V
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BU of 7k5v by Molmil
OXA-48 bound by Compound 3.1
分子名称: 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ...
著者Taylor, D.M, Hu, L, Prasad, B.V.V, Palzkill, T.
登録日2020-09-17
公開日2021-12-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Unique Diacidic Fragments Inhibit the OXA-48 Carbapenemase and Enhance the Killing of Escherichia coli Producing OXA-48.
Acs Infect Dis., 7, 2021
6EIV
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BU of 6eiv by Molmil
DYRK1A in complex with JWD-065
分子名称: Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ~{N}-[3-[[4-azanyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-1,3-thiazol-5-yl]carbonyl]phenyl]propanamide
著者Rothweiler, U.
登録日2017-09-19
公開日2018-08-29
最終更新日2018-09-26
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018
6B2Q
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BU of 6b2q by Molmil
Dual Inhibition of the Essential Protein Kinases A and B in Mycobacterium tuberculosis
分子名称: 3-methyl-1-(2-methylpropyl)butyl 4-O-beta-L-gulopyranosyl-beta-D-glucopyranoside, 5-{5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}thiophene-2-sulfonamide, Serine/threonine-protein kinase PknA
著者Zuccola, H.J.
登録日2017-09-20
公開日2018-02-14
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Mtb PKNA/PKNB Dual Inhibition Provides Selectivity Advantages for Inhibitor Design To Minimize Host Kinase Interactions.
ACS Med Chem Lett, 8, 2017
6B2P
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BU of 6b2p by Molmil
Dual Inhibition of the Essential Protein Kinases A and B in Mycobacterium tuberculosis
分子名称: 5-{5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}thiophene-2-sulfonamide, Serine/threonine-protein kinase PknB
著者Zuccola, H.J.
登録日2017-09-20
公開日2018-02-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Mtb PKNA/PKNB Dual Inhibition Provides Selectivity Advantages for Inhibitor Design To Minimize Host Kinase Interactions.
ACS Med Chem Lett, 8, 2017
7VS7
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BU of 7vs7 by Molmil
Crystal structure of the ectodomain of OsCERK1 in complex with chitin hexamer
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitin elicitor receptor kinase 1, ...
著者Li, X.
登録日2021-10-26
公開日2022-08-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.015 Å)
主引用文献Structural insight into chitin perception by chitin elicitor receptor kinase 1 of Oryza sativa.
J Integr Plant Biol, 65, 2023
6BGM
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BU of 6bgm by Molmil
Crystal structure of ferrous form of the crosslinked human cysteine dioxygenase
分子名称: Cysteine dioxygenase type 1, FE (II) ION, GLYCEROL, ...
著者Liu, A, Li, J, Shin, I.
登録日2017-10-28
公開日2017-11-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.206 Å)
主引用文献Cleavage of a carbon-fluorine bond by an engineered cysteine dioxygenase.
Nat. Chem. Biol., 14, 2018
2Q3G
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BU of 2q3g by Molmil
Structure of the PDZ domain of human PDLIM7 bound to a C-terminal extension from human beta-tropomyosin
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, PDZ and LIM domain protein 7
著者Gileadi, C, Papagrigoriou, E, Elkins, J, Burgess-Brown, N, Salah, E, Gileadi, O, Umeano, C, Bunkoczi, G, von Delft, F, Uppenberg, J, Pike, A.C.W, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC)
登録日2007-05-30
公開日2007-06-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.11 Å)
主引用文献Unusual binding interactions in PDZ domain crystal structures help explain binding mechanisms
Protein Sci., 19, 2010
6B1B
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BU of 6b1b by Molmil
STRUCTURE OF 4-HYDROXYPHENYLACETATE 3-MONOOXYGENASE (HPAB), OXYGENASE COMPONENT FROM ESCHERICHIA COLI MUTANT XS6 (APO Enzyme)
分子名称: 4-hydroxyphenylacetate 3-monooxygenase, oxygenase subunit, trimethylamine oxide
著者Zhou, D, Kandavelu, P, Wang, B.C, Yan, Y, Rose, J.P.
登録日2017-09-18
公開日2019-05-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.944 Å)
主引用文献Structural Insights into Catalytic Versatility of the Flavin-dependent Hydroxylase (HpaB) from Escherichia coli.
Sci Rep, 9, 2019
6BPX
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BU of 6bpx by Molmil
Crystal structure of cysteine-bound ferrous form of the matured Cl2-Tyr157 human cysteine dioxygenase
分子名称: CYSTEINE, Cysteine dioxygenase type 1, FE (II) ION, ...
著者Liu, A, Li, J, Shin, I.
登録日2017-11-26
公開日2018-07-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Cleavage of a carbon-fluorine bond by an engineered cysteine dioxygenase.
Nat. Chem. Biol., 14, 2018
6BPU
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BU of 6bpu by Molmil
Crystal structure of ferrous form of the F2-Tyr157 human cysteine dioxygenase with both uncrosslinked and crosslinked cofactor
分子名称: Cysteine dioxygenase type 1, FE (II) ION, GLYCEROL, ...
著者Liu, A, Li, J, Shin, I.
登録日2017-11-26
公開日2018-07-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Cleavage of a carbon-fluorine bond by an engineered cysteine dioxygenase.
Nat. Chem. Biol., 14, 2018
6BPT
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BU of 6bpt by Molmil
Crystal structure of ferrous form of the uncrosslinked F2-Tyr157 human cysteine dioxygenase
分子名称: Cysteine dioxygenase type 1, FE (II) ION, GLYCEROL, ...
著者Liu, A, Li, J, Shin, I.
登録日2017-11-26
公開日2018-07-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.402 Å)
主引用文献Cleavage of a carbon-fluorine bond by an engineered cysteine dioxygenase.
Nat. Chem. Biol., 14, 2018
6BPW
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BU of 6bpw by Molmil
Crystal structure of ferrous form of the Cl2-Tyr157 human cysteine dioxygenase with both uncrosslinked and crosslinked cofactor
分子名称: Cysteine dioxygenase type 1, FE (II) ION, GLYCEROL, ...
著者Liu, A, Li, J, Shin, I.
登録日2017-11-26
公開日2018-07-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Cleavage of a carbon-fluorine bond by an engineered cysteine dioxygenase.
Nat. Chem. Biol., 14, 2018
7KHL
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BRD4-BD1 Compound6 (methyl 4-(3,5-difluoropyridin-2-yl)-10-methyl-7-((methylsulfonyl)methyl)-11-oxo-3,4,10,11-tetrahydro-1H-1,4,10-triazadibenzo[cd,f]azulene-6-carboxylate)
分子名称: Bromodomain-containing protein 4, GLYCEROL, methyl 7-(3,5-difluoropyridin-2-yl)-2-methyl-10-[(methylsulfonyl)methyl]-3-oxo-3,4,6,7-tetrahydro-2H-2,4,7-triazadibenzo[cd,f]azulene-9-carboxylate
著者Murray, J.M.
登録日2020-10-21
公開日2021-02-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.286 Å)
主引用文献Antibody-Mediated Delivery of Chimeric BRD4 Degraders. Part 2: Improvement of In Vitro Antiproliferation Activity and In Vivo Antitumor Efficacy.
J.Med.Chem., 64, 2021
7KHH
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Ternary complex of VHL/BRD4-BD1/Compound9 (4-(3,5-difluoropyridin-2-yl)-N-(11-(((S)-1-((2S,4R)-4-hydroxy-2-((4-(4-methylthiazol-5-yl)benzyl)carbamoyl)pyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl)amino)-11-oxoundecyl)-10-methyl-7-((methylsulfonyl)methyl)-11-oxo-3,4,10,11-tetrahydro-1H-1,4,10-triazadibenzo[cd,f]azulene-6-carboxamide)
分子名称: Bromodomain-containing protein 4, Elongin-B, Elongin-C, ...
著者Murray, J.M.
登録日2020-10-21
公開日2021-02-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.281 Å)
主引用文献Antibody-Mediated Delivery of Chimeric BRD4 Degraders. Part 2: Improvement of In Vitro Antiproliferation Activity and In Vivo Antitumor Efficacy.
J.Med.Chem., 64, 2021

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