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4J3L
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BU of 4j3l by Molmil
Tankyrase 2 in complex with 3-chloro-N-(2-methoxyethyl)-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)benzamide
Descriptor: 3-chloro-N-(2-methoxyethyl)-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)benzamide, SULFATE ION, Tankyrase-2, ...
Authors:Jansson, A.E, Larsson, E.A, Nordlund, P.L.
Deposit date:2013-02-05
Release date:2013-06-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Fragment-based ligand design of novel potent inhibitors of tankyrases.
J.Med.Chem., 56, 2013
8VPI
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BU of 8vpi by Molmil
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Containing Quinoline-based SGI-1027 Analog 462
Descriptor: DNA Strand I, DNA Strand II, N-{3-[(2-amino-6-methylpyrimidin-4-yl)amino]-5-[(4-methylpiperazin-1-yl)methyl]phenyl}-3-[(quinolin-4-yl)amino]benzamide, ...
Authors:Zhou, J, Horton, J.R, Cheng, X.
Deposit date:2024-01-16
Release date:2024-09-25
Last modified:2024-10-02
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Quinoline-based compounds can inhibit diverse enzymes that act on DNA.
Biorxiv, 2024
8VPG
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BU of 8vpg by Molmil
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Containing Quinoline-based SGI-1027 Analog 455
Descriptor: DNA Strand I, DNA Strand II, N-{3-[(2-amino-6-methylpyrimidin-4-yl)amino]-5-[(dimethylamino)methyl]phenyl}-3-[(quinolin-4-yl)amino]benzamide, ...
Authors:Zhou, J, Horton, J.R, Cheng, X.
Deposit date:2024-01-16
Release date:2024-09-25
Last modified:2024-10-02
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Quinoline-based compounds can inhibit diverse enzymes that act on DNA.
Biorxiv, 2024
8VPH
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BU of 8vph by Molmil
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Containing Quinoline-based SGI-1027 Analog 455 and Inhibitor MC4741
Descriptor: DNA Strand I, DNA Strand II, N-(3-phenylpropyl)adenosine, ...
Authors:Zhou, J, Horton, J.R, Cheng, X.
Deposit date:2024-01-16
Release date:2024-09-25
Last modified:2024-10-02
Method:X-RAY DIFFRACTION (3.18 Å)
Cite:Quinoline-based compounds can inhibit diverse enzymes that act on DNA.
Biorxiv, 2024
3TFK
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BU of 3tfk by Molmil
42F3-p4B10/H2-Ld
Descriptor: 42F3 alpha, 42F3 beta, H2-Ld SBM2, ...
Authors:Adams, J.J, Kranz, D.M, Garcia, K.C.
Deposit date:2011-08-15
Release date:2011-12-07
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.753 Å)
Cite:T cell receptor signaling is limited by docking geometry to peptide-major histocompatibility complex.
Immunity, 35, 2011
3TF7
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BU of 3tf7 by Molmil
42F3 QL9/H2-Ld complex
Descriptor: 42F3 Mut7 scFv (42F3 alpha chain, linker, 42F3 beta chain), ...
Authors:Adams, J.J, Kranz, D.M, Garcia, K.C.
Deposit date:2011-08-15
Release date:2011-12-07
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:T cell receptor signaling is limited by docking geometry to peptide-major histocompatibility complex.
Immunity, 35, 2011
4OR1
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BU of 4or1 by Molmil
Structure and mechanism of fibronectin binding and biofilm formation of enteroaggregative Escherischia coli AAF fimbriae
Descriptor: ACETATE ION, Invasin homolog AafB, Major fimbrial subunit of aggregative adherence fimbria II AafA chimeric construct, ...
Authors:Lee, W.-C, Garnett, J.A, Yang, Y, Matthews, S.
Deposit date:2014-02-10
Release date:2014-12-24
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural insight into host recognition by aggregative adherence fimbriae of enteroaggregative Escherichia coli.
Plos Pathog., 10, 2014
4J22
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BU of 4j22 by Molmil
Tankyrase 2 in complex with 3-chloro-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)-N-[2-(morpholin-4-yl)ethyl]benzamide
Descriptor: 3-chloro-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)-N-[2-(morpholin-4-yl)ethyl]benzamide, SULFATE ION, Tankyrase-2, ...
Authors:Jansson, A.E, Larsson, E.A, Nordlund, P.L.
Deposit date:2013-02-04
Release date:2013-06-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Fragment-based ligand design of novel potent inhibitors of tankyrases.
J.Med.Chem., 56, 2013
4J3M
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BU of 4j3m by Molmil
Tankyrase 2 in complex with 3-chloro-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)benzoic acid
Descriptor: 3-chloro-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)benzoic acid, GLYCEROL, SULFATE ION, ...
Authors:Jansson, A.E, Larsson, E.A, Nordlund, P.L.
Deposit date:2013-02-06
Release date:2013-06-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Fragment-based ligand design of novel potent inhibitors of tankyrases.
J.Med.Chem., 56, 2013
4IUE
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BU of 4iue by Molmil
Tankyrase in complex with 7-(2-fluorophenyl)-4-methyl-1,2-dihydroquinolin-2-one
Descriptor: 7-(2-fluorophenyl)-4-methylquinolin-2(1H)-one, SULFATE ION, Tankyrase-2, ...
Authors:Jansson, A.E, Larsson, E.A, Nordlund, P.L.
Deposit date:2013-01-21
Release date:2013-06-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Fragment-based ligand design of novel potent inhibitors of tankyrases.
J.Med.Chem., 56, 2013
4J1Z
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BU of 4j1z by Molmil
Tankyrase 2 in complex with 4-chloro-1,2-dihydrophatalzin-one
Descriptor: 4-chlorophthalazin-1(2H)-one, SULFATE ION, Tankyrase-2, ...
Authors:Jansson, A.E.
Deposit date:2013-02-03
Release date:2013-07-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Fragment-based ligand design of novel potent inhibitors of tankyrases.
J.Med.Chem., 56, 2013
3TPU
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BU of 3tpu by Molmil
42F3 p5E8/H2-Ld complex
Descriptor: 1,2-ETHANEDIOL, 42F3 alpha, 42F3 beta, ...
Authors:Adams, J.J, Kranz, D.M, Garcia, K.C.
Deposit date:2011-09-08
Release date:2011-12-07
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:T cell receptor signaling is limited by docking geometry to peptide-major histocompatibility complex.
Immunity, 35, 2011
4JE0
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BU of 4je0 by Molmil
Structures of SdrD from Staphylococcus aureus reveal the molecular mechanism of how the cell surface receptors recognize their ligands
Descriptor: CALCIUM ION, Ser-Asp rich fibrinogen/bone sialoprotein-binding protein SdrD
Authors:Wang, X, Ge, J, Yang, M.
Deposit date:2013-02-25
Release date:2013-06-19
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structures of SdrD from Staphylococcus aureus reveal the molecular mechanism of how the cell surface receptors recognize their ligands
Protein Cell, 4, 2013
3W51
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BU of 3w51 by Molmil
Tankyrase in complex with 2-hydroxy-4-methylquinoline
Descriptor: 4-methylquinolin-2-ol, SULFATE ION, Tankyrase-2, ...
Authors:Jansson, A.E, Larsson, E.A, Nordlund, P.L.
Deposit date:2013-01-18
Release date:2013-07-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Fragment-based ligand design of novel potent inhibitors of tankyrases.
J.Med.Chem., 56, 2013
6O1S
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BU of 6o1s by Molmil
Structure of human plasma kallikrein protease domain with inhibitor
Descriptor: 1,2-ETHANEDIOL, N-[(6-amino-2,4-dimethylpyridin-3-yl)methyl]-1-({4-[(1H-pyrazol-1-yl)methyl]phenyl}methyl)-1H-pyrazole-4-carboxamide, PHOSPHATE ION, ...
Authors:Partridge, J.R, Choy, R.M.
Deposit date:2019-02-21
Release date:2019-03-06
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structures of full-length plasma kallikrein bound to highly specific inhibitors describe a new mode of targeted inhibition.
J.Struct.Biol., 206, 2019
2IZG
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BU of 2izg by Molmil
STREPTAVIDIN-BIOTIN PH 2.0 I222 COMPLEX
Descriptor: BIOTIN, STREPTAVIDIN, SULFATE ION
Authors:Katz, B.A.
Deposit date:1997-08-13
Release date:1998-09-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Binding of biotin to streptavidin stabilizes intersubunit salt bridges between Asp61 and His87 at low pH.
J.Mol.Biol., 274, 1997
2M9L
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BU of 2m9l by Molmil
Solution structure of protoxin-1
Descriptor: Beta-theraphotoxin-Tp1a
Authors:Daly, N.
Deposit date:2013-06-13
Release date:2014-04-30
Last modified:2024-10-16
Method:SOLUTION NMR
Cite:A tarantula-venom peptide antagonizes the TRPA1 nociceptor ion channel by binding to the S1-S4 gating domain.
Curr.Biol., 24, 2014
5Z55
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BU of 5z55 by Molmil
NMR Solution Structure of the Kringle domain of human receptor tyrosine kinase-like orphan receptor 1 (ROR1)
Descriptor: Inactive tyrosine-protein kinase transmembrane receptor ROR1
Authors:Ma, X, Hu, K.F.
Deposit date:2018-01-17
Release date:2018-05-16
Last modified:2024-10-23
Method:SOLUTION NMR
Cite:Backbone and side-chain chemical shift assignments of the kringle domain of human receptor tyrosine kinase-like orphan receptor 1 (ROR1).
Biomol NMR Assign, 12, 2018
7XML
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BU of 7xml by Molmil
Cryo-EM structure of PEIP-Bs_enolase complex
Descriptor: Enolase, MAGNESIUM ION, Putative gene 60 protein
Authors:Li, S, Zhang, K.
Deposit date:2022-04-26
Release date:2022-07-27
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Bacteriophage protein PEIP is a potent Bacillus subtilis enolase inhibitor.
Cell Rep, 40, 2022
8IQX
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BU of 8iqx by Molmil
ferritin mutant-P156H
Descriptor: Ferritin
Authors:Zhao, G, Zhang, C, Zang, J, Zhang, T.
Deposit date:2023-03-17
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Preparation and Unique Three-Dimensional Self-Assembly Property of Starfish Ferritin.
Foods, 12, 2023
8IR0
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BU of 8ir0 by Molmil
AfFer mutant-P156F
Descriptor: Ferritin
Authors:Zhao, G, Zhang, C, Zang, J, Zhang, T.
Deposit date:2023-03-17
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Preparation and Unique Three-Dimensional Self-Assembly Property of Starfish Ferritin.
Foods, 12, 2023
8K8J
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BU of 8k8j by Molmil
Cannabinoid Receptor 1 bound to Fenofibrate coupling MiniGsq and Nb35 Complex
Descriptor: Fenofibrate, 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, ...
Authors:Tang, W.Q, Wang, T.X, Li, F.H, Wang, J.Y.
Deposit date:2023-07-30
Release date:2024-02-14
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (2.88 Å)
Cite:Fenofibrate Recognition and G q Protein Coupling Mechanisms of the Human Cannabinoid Receptor CB1.
Adv Sci, 11, 2024
1DU0
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BU of 1du0 by Molmil
ENGRAILED HOMEODOMAIN Q50A VARIANT DNA COMPLEX
Descriptor: DNA (5'-D(*AP*TP*TP*AP*GP*GP*TP*AP*AP*TP*TP*AP*CP*AP*TP*GP*GP*CP*AP*AP*A)-3'), DNA (5'-D(*TP*TP*TP*TP*GP*CP*CP*AP*TP*GP*TP*AP*AP*TP*TP*AP*CP*CP*TP*AP*A)-3'), ENGRAILED HOMEODOMAIN
Authors:Grant, R.A, Rould, M.A, Klemm, J.D, Pabo, C.O.
Deposit date:2000-01-13
Release date:2000-07-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Exploring the role of glutamine 50 in the homeodomain-DNA interface: crystal structure of engrailed (Gln50 --> ala) complex at 2.0 A.
Biochemistry, 39, 2000
6ILZ
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BU of 6ilz by Molmil
Crystal structure of PKCiota in complex with inhibitor
Descriptor: 2-amino-5-[3-(piperazin-1-yl)phenyl]-N-(pyridin-4-yl)pyridine-3-carboxamide, Protein kinase C iota type
Authors:Baburajendran, N, Hill, J.
Deposit date:2018-10-21
Release date:2019-06-26
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3.261 Å)
Cite:Fragment-based Discovery of a Small-Molecule Protein Kinase C-iota Inhibitor Binding Post-kinase Domain Residues.
Acs Med.Chem.Lett., 10, 2019
6JLR
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BU of 6jlr by Molmil
Crystal structure of wild type MNK2 in complex with inhibitor
Descriptor: 4-[5-(1-methylpyrazol-4-yl)pyridin-3-yl]benzamide, MAP kinase-interacting serine/threonine-protein kinase 2
Authors:Baburajendran, N, Hill, J.
Deposit date:2019-03-06
Release date:2020-02-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.901 Å)
Cite:Stepwise Evolution of Fragment Hits against MAPK Interacting Kinases 1 and 2.
J.Med.Chem., 63, 2020

238582

数据于2025-07-09公开中

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