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6D9A
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Crystal structure of Corynebacterium diphtheriae UDP-galactopyranose mutase in complex with UDP-GalNAc (open, reduced)
分子名称: DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, ISOPROPYL ALCOHOL, SODIUM ION, ...
著者Wangkanont, K, Kiessling, L.L, Forest, K.T.
登録日2018-04-28
公開日2019-05-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Substrate recognition by FAD in UDP-galactopyranose mutase
To be published
6DX7
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BU of 6dx7 by Molmil
Crystal structure of chalcone synthase from Physcomitrella patens
分子名称: Chalcone synthase
著者Liou, G, Chiang, Y.C, Wang, Y, Weng, J.K.
登録日2018-06-28
公開日2018-10-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Mechanistic basis for the evolution of chalcone synthase catalytic cysteine reactivity in land plants.
J. Biol. Chem., 293, 2018
6DPT
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BU of 6dpt by Molmil
X-ray crystal structure of AmpC beta-lactamase with nanomolar inhibitor
分子名称: 3-chloro-2-hydroxy-N-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]phenyl}benzene-1-sulfonamide, Beta-lactamase
著者Singh, I.
登録日2018-06-09
公開日2018-07-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Ultra-large library docking for discovering new chemotypes.
Nature, 566, 2019
6QSQ
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BU of 6qsq by Molmil
X-ray crystal structure of the R336L Vibrio alkaline phosphatase variant.
分子名称: 6-(5-METHYL-2-OXO-IMIDAZOLIDIN-4-YL)-HEXANOIC ACID, Alkaline phosphatase, MAGNESIUM ION, ...
著者Hjorleifsson, J.G, Helland, R, Asgeirsson, B.
登録日2019-02-21
公開日2020-01-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The high catalytic rate of the cold-active Vibrio alkaline phosphatase requires a hydrogen bonding network involving a large interface loop.
Febs Open Bio, 2020
7Q9N
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BU of 7q9n by Molmil
Transthyretin complexed with (E)-4-(2-(naphthalen-2-yl)vinyl)benzene-1,2-diol
分子名称: 4-[(~{E})-2-naphthalen-2-ylethenyl]benzene-1,2-diol, Transthyretin
著者Derbyshire, D.J, Hammarstrom, P, von Castelmur, E, Begum, A.
登録日2021-11-12
公開日2022-11-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Transthyretin Binding Mode Dichotomy of Fluorescent trans -Stilbene Ligands.
Acs Chem Neurosci, 14, 2023
7Q9O
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BU of 7q9o by Molmil
Complex of Transthyretin with resveratrol exhibits multiple binding modes
分子名称: GLYCEROL, RESVERATROL, SODIUM ION, ...
著者Derbyshire, D.J, Hammarstrom, P, von Castelmur, E, Begum, A.
登録日2021-11-12
公開日2022-11-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Transthyretin Binding Mode Dichotomy of Fluorescent trans -Stilbene Ligands.
Acs Chem Neurosci, 14, 2023
7Q9L
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BU of 7q9l by Molmil
Transthyretin complexed with (E)-4-(2-(naphthalen-1-yl)vinyl)benzene-1,2-diol
分子名称: 4-[(~{E})-2-naphthalen-1-ylethenyl]benzene-1,2-diol, GLYCEROL, SODIUM ION, ...
著者Derbyshire, D.J, Hammarstrom, P, von Castelmur, E, Begum, A.
登録日2021-11-12
公開日2022-11-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Transthyretin Binding Mode Dichotomy of Fluorescent trans -Stilbene Ligands.
Acs Chem Neurosci, 14, 2023
7QXR
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BU of 7qxr by Molmil
Azacoelenterazine-bound Renilla-type luciferase (AncFT)
分子名称: 3-(4-hydroxyphenyl)-8-[(4-hydroxyphenyl)methyl]-5-(phenylmethyl)-1$l^{4},4,7,8-tetrazabicyclo[4.3.0]nona-1(6),2,4-trien-9-one, Fragment transplantation onto a hyperstable ancestor of haloalkane dehalogenases and Renilla luciferase (Anc-FT)
著者Marek, M, Schenkmayerova, A, Janin, Y.L.
登録日2022-01-27
公開日2022-12-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.052 Å)
主引用文献Catalytic mechanism for Renilla-type luciferases
Nat Catal, 2023
7QXQ
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Coelenteramide-bound Renilla-type luciferase (AncFT)
分子名称: Fragment transplantation onto hyperstable ancestor of haloalkane dehalogenases and Renilla luciferase (Anc-FT), N-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE
著者Marek, M, Schenkmayerova, A.
登録日2022-01-27
公開日2022-12-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.251 Å)
主引用文献Catalytic mechanism for Renilla-type luciferases
Nat Catal, 2023
7QUX
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Crystal structure of P7C8 bound to CK2alpha
分子名称: ADENOSINE-5'-DIPHOSPHATE, CARBAMIC ACID, Casein kinase II subunit alpha, ...
著者Atkinson, E, Iegre, J, Brear, P, Baker, D, Sore, H, Hyvonen, M, Spring, D.
登録日2022-01-19
公開日2022-12-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Development of small cyclic peptides targeting the CK2 alpha / beta interface.
Chem.Commun.(Camb.), 58, 2022
7QVL
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BU of 7qvl by Molmil
OESTROGEN RECEPTOR LIGAND BINDING DOMAIN IN COMPLEX WITH COMPOUND 38
分子名称: (2~{R})-3-[(1~{R},3~{R})-1-[5-fluoranyl-2-[2-(3-fluoranylpropylamino)ethoxy]-3-methyl-pyridin-4-yl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-methyl-propanoic acid, Estrogen receptor
著者Breed, J.
登録日2022-01-21
公開日2023-02-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of a Potent and Orally Bioavailable Zwitterionic Series of Selective Estrogen Receptor Degrader-Antagonists.
J.Med.Chem., 66, 2023
7Q99
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BU of 7q99 by Molmil
MHC Class I A02 Allele presenting NLSALGIFST, in complex with Mel5 TCR
分子名称: 1,2-ETHANEDIOL, ASN-LEU-SER-ALA-LEU-GLY-ILE-PHE-SER-THR, Beta-2-microglobulin, ...
著者Rizkallah, P.J, Sewell, A.K, Wall, A, Fuller, A.
登録日2021-11-12
公開日2023-02-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Targeting of multiple tumor-associated antigens by individual T cell receptors during successful cancer immunotherapy.
Cell, 186, 2023
7Q98
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BU of 7q98 by Molmil
MHC Class I A02 Allele presenting NLSALGIFST
分子名称: 1,2-ETHANEDIOL, ASN-LEU-SER-ALA-LEU-GLY-ILE-PHE-SER-THR, Beta-2-microglobulin, ...
著者Rizkallah, P.J, Sewell, A.K.
登録日2021-11-12
公開日2023-02-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Targeting of multiple tumor-associated antigens by individual T cell receptors during successful cancer immunotherapy.
Cell, 186, 2023
7Q9A
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BU of 7q9a by Molmil
MHC Class I A02 Allele presenting LLLGIGILVL, in complex with Mel5 TCR
分子名称: Beta-2-microglobulin, GLYCEROL, Human Mel5 T Cell Receptor, ...
著者Rizkallah, P.J, Sewell, A.K, Wall, A, Fuller, A.
登録日2021-11-12
公開日2023-02-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Targeting of multiple tumor-associated antigens by individual T cell receptors during successful cancer immunotherapy.
Cell, 186, 2023
7RAC
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BU of 7rac by Molmil
Crystal structure of a dodecameric multicopper oxidase from M. hydrothermalis in an orthorhombic lattice
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, COPPER (II) ION, ...
著者Georgiadis, M.M, Ogata, C.M.
登録日2021-06-30
公開日2021-10-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Crystal structures of a dodecameric multicopper oxidase from Marinithermus hydrothermalis.
Acta Crystallogr D Struct Biol, 77, 2021
7RMW
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BU of 7rmw by Molmil
Crystal structure of B. subtilis PurR bound to ppGpp
分子名称: GUANOSINE-5',3'-TETRAPHOSPHATE, Pur operon repressor
著者Schumacher, M.A.
登録日2021-07-28
公開日2021-12-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献The nucleotide messenger (p)ppGpp is an anti-inducer of the purine synthesis transcription regulator PurR in Bacillus.
Nucleic Acids Res., 50, 2022
7LOG
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BU of 7log by Molmil
T4 lysozyme mutant L99A in complex with 3-butylpyridine
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-butylpyridine, BETA-MERCAPTOETHANOL, ...
著者Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K.
登録日2021-02-10
公開日2021-08-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (0.99 Å)
主引用文献Energy penalties enhance flexible receptor docking in a model cavity.
Proc.Natl.Acad.Sci.USA, 118, 2021
7LXA
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BU of 7lxa by Molmil
T4 lysozyme mutant L99A
分子名称: (2-methylprop-2-en-1-yl)benzene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, ...
著者Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K.
登録日2021-03-03
公開日2021-08-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献Energy penalties enhance flexible receptor docking in a model cavity.
Proc.Natl.Acad.Sci.USA, 118, 2021
9BRY
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BU of 9bry by Molmil
V0-only V-ATPase in synaptophysin gene knock-out mouse brain isolated synaptic vesicles
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, 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, ...
著者Wang, C, Jiang, W, Yang, K, Wang, X, Guo, Q, Brunger, A.T.
登録日2024-05-12
公開日2024-06-19
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structure and topography of the synaptic V-ATPase-synaptophysin complex.
Nature, 2024
9BRZ
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BU of 9brz by Molmil
V0-only V-ATPase and synaptophysin complex in mouse brain isolated synaptic vesicles
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, 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, ...
著者Wang, C, Jiang, W, Yang, K, Wang, X, Guo, Q, Brunger, A.T.
登録日2024-05-12
公開日2024-06-19
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structure and topography of the synaptic V-ATPase-synaptophysin complex.
Nature, 2024
7MEQ
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BU of 7meq by Molmil
Crystal structure of human TMPRSS2 in complex with Nafamostat
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-carbamimidamidobenzoic acid, Transmembrane protease serine 2, ...
著者Fraser, B, Beldar, S, Hutchinson, A, Li, Y, Seitova, A, Edwards, A.M, Benard, F, Arrowsmith, C.H, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2021-04-07
公開日2021-04-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure and activity of human TMPRSS2 protease implicated in SARS-CoV-2 activation.
Nat.Chem.Biol., 18, 2022
8TXA
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BU of 8txa by Molmil
Apo Structure of (N1G37) tRNA Methyltransferase from Mycobacterium marinum
分子名称: tRNA (guanine-N(1)-)-methyltransferase
著者Balsamo, A, Bruno, C, Edele, C, Fabian, T, Jannotta, R, Lee, R, Schryver, D, Warsaw, J, Warsaw, L, Stojanoff, V, Battaile, K, Perez, A, Bolen, R.
登録日2023-08-23
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.591 Å)
主引用文献Apo Structure of (N1G37) tRNA Methyltransferase from Mycobacterium marinum
To Be Published
8W83
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BU of 8w83 by Molmil
HLA-DQ2.5-alpha1 gliadin peptide in complex with DQN0344AE02
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, DQN0344AE02 Fab heavy chain, DQN0344AE02 Fab light chain, ...
著者Irie, M, Tsushima, T, Teranishi-Ikawa, Y, Takahashi, N, Ishii, S, Okura, Y, Fukami, T.A, Torizawa, T.
登録日2023-08-31
公開日2023-11-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.818 Å)
主引用文献Characterizations of a neutralizing antibody broadly reactive to multiple gluten peptide:HLA-DQ2.5 complexes in the context of celiac disease.
Nat Commun, 14, 2023
2FWY
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BU of 2fwy by Molmil
Structure of human Hsp90-alpha bound to the potent water soluble inhibitor PU-H64
分子名称: 8-(6-BROMO-BENZO[1,3]DIOXOL-5-YLSULFANYL)-9-(3-ISOPROPYLAMINO-PROPYL)-ADENINE, Heat shock protein HSP 90-alpha
著者Immormino, R.M, Gewirth, D.T.
登録日2006-02-03
公開日2006-10-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural and quantum chemical studies of 8-aryl-sulfanyl adenine class Hsp90 inhibitors.
J.Med.Chem., 49, 2006
2FXS
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BU of 2fxs by Molmil
Yeast HSP82 in complex with the novel HSP90 Inhibitor Radamide
分子名称: ATP-dependent molecular chaperone HSP82, GLYCEROL, METHYL 3-CHLORO-2-{3-[(2,5-DIHYDROXY-4-METHOXYPHENYL)AMINO]-3-OXOPROPYL}-4,6-DIHYDROXYBENZOATE
著者Immormino, R.M, Gewirth, D.T.
登録日2006-02-06
公開日2007-02-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Different poses for ligand and chaperone in inhibitor-bound Hsp90 and GRP94: implications for paralog-specific drug design.
J.Mol.Biol., 388, 2009

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