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4NJA
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BU of 4nja by Molmil
Crystal structure of Fab 6C8 in complex with MPTS
分子名称: 6C8 heavy chain, 6C8 light chain, 8-methoxypyrene-1,3,6-trisulfonic acid, ...
著者Stanfield, R.L, Romesberg, F.E, Zimmermann, J, Wilson, I.A.
登録日2013-11-08
公開日2014-11-12
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.204 Å)
主引用文献Adaptive Mutations Alter Antibody Structure and Dynamics during Affinity Maturation.
Biochemistry, 54, 2015
6ZYU
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BU of 6zyu by Molmil
Structure of the GluA2 ligand-binding domain (L483Y-N754S) in complex with glutamate and BPAM549
分子名称: (4~{R})-4-cyclopropyl-7-fluoranyl-3,4-dihydro-2~{H}-thiochromene 1,1-dioxide, (4~{S})-4-cyclopropyl-7-fluoranyl-3,4-dihydro-2~{H}-thiochromene 1,1-dioxide, ACETATE ION, ...
著者Dorosz, J, Christensen, K.M, Kastrup, J.S.
登録日2020-08-03
公開日2021-08-11
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Development of Thiochroman Dioxide Analogues of Benzothiadiazine Dioxides as New Positive Allosteric Modulators of alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic Acid (AMPA) Receptors.
Acs Chem Neurosci, 12, 2021
8PW1
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BU of 8pw1 by Molmil
Structure of human UCHL1 in complex with CG341 inhibitor
分子名称: (2~{S})-4-(iminomethyl)-1-methyl-~{N}-[1-[4-(pent-4-ynylcarbamoyl)phenyl]imidazol-4-yl]piperazine-2-carboxamide, Ubiquitin carboxyl-terminal hydrolase isozyme L1
著者Grethe, C, Gersch, M.
登録日2023-07-19
公開日2024-01-31
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献N-Cyanopiperazines as Specific Covalent Inhibitors of the Deubiquitinating Enzyme UCHL1.
Angew.Chem.Int.Ed.Engl., 63, 2024
4NW6
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BU of 4nw6 by Molmil
Rsk2 N-terminal kinase in complex with 2-amino-7-substituted benzoxazole compound 27
分子名称: 7-(1H-benzimidazol-7-yl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine, Ribosomal protein S6 kinase alpha-3
著者Appleton, B.A.
登録日2013-12-05
公開日2014-02-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献2-Amino-7-substituted benzoxazole analogs as potent RSK2 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
2P1M
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BU of 2p1m by Molmil
TIR1-ASK1 complex structure
分子名称: INOSITOL HEXAKISPHOSPHATE, SKP1-like protein 1A, TRANSPORT INHIBITOR RESPONSE 1 protein
著者Tan, X, Calderon-Villalobos, L.I.A, Sharon, M, Robinson, C.V, Estelle, M, Zheng, N.
登録日2007-03-05
公開日2007-04-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Mechanism of auxin perception by the TIR1 ubiquitin ligase
Nature, 446, 2007
8PTR
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BU of 8ptr by Molmil
COMPLEX CRYSTAL STRUCTURE OF MUTANT HUMAN MONOGLYCERIDE LIPASE WITH COMPOUND 5r
分子名称: (3~{R},4~{S})-4-(1,3-benzodioxol-5-yl)-1-[1-(benzotriazol-1-ylcarbonyl)piperidin-4-yl]-3-(3-fluorophenyl)azetidin-2-one, 1,2-ETHANEDIOL, Monoglyceride lipase
著者Butini, S, Benz, J, Grether, U, Leibrock, L, Papa, A, Maramai, S, Carullo, G, Federico, S, Grillo, A, Di Guglielmo, B, Lamponi, S, Gemma, S, Campiani, G.
登録日2023-07-14
公開日2024-01-31
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Development of Potent and Selective Monoacylglycerol Lipase Inhibitors. SARs, Structural Analysis, and Biological Characterization.
J.Med.Chem., 67, 2024
5FH2
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BU of 5fh2 by Molmil
The structure of rat cytosolic PEPCK variant E89Q in complex with GTP
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GUANOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, ...
著者Johnson, T.A, Holyoak, T.
登録日2015-12-21
公開日2016-11-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Utilization of Substrate Intrinsic Binding Energy for Conformational Change and Catalytic Function in Phosphoenolpyruvate Carboxykinase.
Biochemistry, 55, 2016
1ZJA
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Crystal structure of the trehalulose synthase MutB from Pseudomonas mesoacidophila MX-45 (triclinic form)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Trehalulose synthase
著者Ravaud, S, Robert, X, Haser, R, Aghajari, N.
登録日2005-04-28
公開日2006-10-17
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Trehalulose synthase native and carbohydrate complexed structures provide insights into sucrose isomerization.
J.Biol.Chem., 282, 2007
7YD0
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BU of 7yd0 by Molmil
SARS-CoV-2 Omicron 1-RBD up spike trimer complexed with two XG005 Fab
分子名称: Spike glycoprotein, XG005-VH, XG005-VL
著者Zhan, W.Q, Zhang, X, Chen, Z.G, Sun, L.
登録日2022-07-02
公開日2023-12-13
最終更新日2024-11-20
実験手法ELECTRON MICROSCOPY (3.58 Å)
主引用文献SARS-CoV-2 Omicron 1-RBD up spike trimer complexed with two XG005 Fab
To be Published
3N13
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BU of 3n13 by Molmil
Crystal stricture of D143A chitinase in complex with NAG from Bacillus cereus NCTU2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase A
著者Hsieh, Y.-C, Wu, Y.-J, Wu, W.-G, Li, Y.-K, Chen, C.-J.
登録日2010-05-15
公開日2010-08-04
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structures of bacillus cereus NCTU2 chitinase complexes with chitooligomers reveal novel substrate binding for catalysis: a chitinase without chitin-binding and insertion domains
J.Biol.Chem., 285, 2010
7A0K
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BU of 7a0k by Molmil
Crystal structure of the entire ectodomain from the Physcomitrella patens receptor kinase CR4
分子名称: 1,2-ETHANEDIOL, 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Hothorn, M, Okuda, S.
登録日2020-08-09
公開日2021-08-18
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structures of Arabidopsis and Physcomitrella CR4 reveal the molecular architecture of CRINKLY4 receptor kinases.
To Be Published
3EB4
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BU of 3eb4 by Molmil
Voltage-dependent K+ channel beta subunit (I211R) in complex with cortisone
分子名称: 17,21-DIHYDROXYPREGNA-1,4-DIENE-3,11,20-TRIONE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Voltage-gated potassium channel subunit beta-2
著者Pan, Y, Weng, J, Kabaleeswaran, V, Li, H, Cao, Y, Bhosle, R.C, Zhou, M.
登録日2008-08-26
公開日2008-09-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Cortisone dissociates the Shaker family K+ channels from their beta subunits.
Nat.Chem.Biol., 4, 2008
8PQY
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BU of 8pqy by Molmil
Cytoplasmic dynein-1 motor domain bound to LIS1
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Cytoplasmic dynein 1 heavy chain 1, ...
著者Singh, K, Lau, C.K, Manigrasso, G, Gassmann, R, Carter, A.P.
登録日2023-07-12
公開日2024-03-27
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Molecular mechanism of dynein-dynactin complex assembly by LIS1.
Science, 383, 2024
4NWK
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BU of 4nwk by Molmil
Crystal structure of hepatis c virus protease (ns3) complexed with bms-605339 aka n-(tert-butoxycarbonyl)-3-me thyl-l-valyl-(4r)-n-((1r,2s)-1-((cyclopropylsulfonyl)carba moyl)-2-vinylcyclopropyl)-4-((6-methoxy-1-isoquinolinyl)ox y)-l-prolinamide
分子名称: GLYCEROL, HCV NS3 1a Protease, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-4-[(6-methoxyisoquinolin-1-yl)oxy]-L-prolinamide, ...
著者Muckelbauer, J.K, Klei, H.E.
登録日2013-12-06
公開日2014-03-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Discovery and Early Clinical Evaluation of BMS-605339, a Potent and Orally Efficacious Tripeptidic Acylsulfonamide NS3 Protease Inhibitor for the Treatment of Hepatitis C Virus Infection.
J.Med.Chem., 57, 2014
5FE6
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BU of 5fe6 by Molmil
Crystal structure of human PCAF bromodomain in complex with fragment ZB1916 (fragment 10)
分子名称: (4-azanylpiperidin-1-yl)-cyclopropyl-methanone, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
著者Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC)
登録日2015-12-16
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Structure-Based Identification of Inhibitory Fragments Targeting the p300/CBP-Associated Factor Bromodomain.
J.Med.Chem., 59, 2016
2OTP
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BU of 2otp by Molmil
Crystal Structure of Immunoglobulin-Like Transcript 1 (ILT1/LIR7/LILRA2)
分子名称: Leukocyte immunoglobulin-like receptor subfamily A member 2
著者Gao, F, Peng, H, Chen, Y, Liu, Y, Gao, G.F.
登録日2007-02-08
公開日2008-02-19
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal Structure of 3D Domain Swapped Dimer of Immunoglobulin-Like Transcript 1 (ILT1/LIR7/LILRA2), Molecular Insight into Group 1 Activating Receptor Forming Unique MW Interaction Pattern
To be Published
4NEK
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BU of 4nek by Molmil
Putative enoyl-CoA hydratase/carnithine racemase from Magnetospirillum magneticum AMB-1
分子名称: DI(HYDROXYETHYL)ETHER, Enoyl-CoA hydratase/carnithine racemase
著者Tkaczuk, K.L, Cooper, D.R, Geffken, K, Chapman, H.C, Stead, M, Hillerich, B, Ahmed, M, Bonanno, J.B, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC)
登録日2013-10-29
公開日2013-11-27
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Putative enoyl-CoA hydratase/carnithine racemase from Magnetospirillum magneticum AMB-1
To be Published
8PQZ
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BU of 8pqz by Molmil
Cytoplasmic dynein-1 A1/A2 motor domains bound to LIS1
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Cytoplasmic dynein 1 heavy chain 1, ...
著者Singh, K, Lau, C.K, Manigrasso, G, Gassmann, R, Carter, A.P.
登録日2023-07-12
公開日2024-03-27
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (5.5 Å)
主引用文献Molecular mechanism of dynein-dynactin complex assembly by LIS1.
Science, 383, 2024
3E6P
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BU of 3e6p by Molmil
Crystal structure of human meizothrombin desF1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, D-PHENYLALANYL-N-[(1S)-4-{[(Z)-AMINO(IMINO)METHYL]AMINO}-1-(CHLOROACETYL)BUTYL]-L-PROLINAMIDE, Prothrombin, ...
著者Papaconstantinou, M.E, Gandhi, P, Chen, Z, Bah, A, Di Cera, E.
登録日2008-08-15
公開日2008-11-18
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Na(+) binding to meizothrombin desF1.
Cell.Mol.Life Sci., 65, 2008
4NI8
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BU of 4ni8 by Molmil
Crystal structure of 5-carboxyvanillate decarboxylase LigW from Sphingomonas paucimobilis complexed with Mn and 5-methoxyisophtalic acid
分子名称: 1,2-ETHANEDIOL, 5-carboxyvanillate decarboxylase, 5-methoxybenzene-1,3-dicarboxylic acid, ...
著者Fedorov, A.A, Fedorov, E.V, Vladimirova, A, Raushel, F.M, Almo, S.C.
登録日2013-11-05
公開日2014-11-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Crystal structure of 5-carboxyvanillate decarboxylase LigW from Sphingomonas paucimobilis complexed with Mn and 5-methoxyisophtalic acid
To be Published
5FBB
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BU of 5fbb by Molmil
S1 nuclease from Aspergillus oryzae in complex with phosphate and adenosine 5'-monophosphate
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ...
著者Koval, T, Oestergaard, L.H, Dohnalek, J.
登録日2015-12-14
公開日2016-12-28
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural and Catalytic Properties of S1 Nuclease from Aspergillus oryzae Responsible for Substrate Recognition, Cleavage, Non-Specificity, and Inhibition.
PLoS ONE, 11, 2016
7A0R
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BU of 7a0r by Molmil
50S Deinococcus radiodurans ribosome bounded with mycinamicin I
分子名称: 50S ribosomal protein L13, 50S ribosomal protein L14, 50S ribosomal protein L15, ...
著者Breiner, E, Eyal, Z, Matzov, D, Halfon, Y, Cimicata, G, Rozenberg, H, Zimmerman, E, Bashan, A, Yonath, A.
登録日2020-08-10
公開日2021-08-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Ribosome-binding and anti-microbial studies of the mycinamicins, 16-membered macrolide antibiotics from Micromonospora griseorubida.
Nucleic Acids Res., 49, 2021
2P39
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BU of 2p39 by Molmil
Crystal structure of human FGF23
分子名称: 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, Fibroblast growth factor 23
著者Mohammadi, M.
登録日2007-03-08
公開日2007-04-10
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Molecular insights into the klotho-dependent, endocrine mode of action of fibroblast growth factor 19 subfamily members.
Mol.Cell.Biol., 27, 2007
3N17
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BU of 3n17 by Molmil
Crystal stricture of E145Q/Y227F chitinase in complex with NAG from Bacillus cereus NCTU2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase A
著者Hsieh, Y.-C, Wu, Y.-J, Wu, W.-G, Li, Y.-K, Chen, C.-J.
登録日2010-05-15
公開日2010-08-04
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Crystal structures of bacillus cereus NCTU2 chitinase complexes with chitooligomers reveal novel substrate binding for catalysis: a chitinase without chitin-binding and insertion domains
J.Biol.Chem., 285, 2010
4NMT
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CFTR Associated Ligand (CAL) PDZ domain bound to peptide iCAL36(TFA-K-1) (ANSRWPTS[Tfa-acyl-K]I)
分子名称: GLYCEROL, Golgi-associated PDZ and coiled-coil motif-containing protein, iCAL36(TFA-K-1) peptide
著者Amacher, J.F, Madden, D.R.
登録日2013-11-15
公開日2014-10-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Chemically Modified Peptide Scaffolds Target the CFTR-Associated Ligand PDZ Domain.
Plos One, 9, 2014

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