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8HG7
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BU of 8hg7 by Molmil
Structure of human SGLT2-MAP17 complex with Sotagliflozin
Descriptor: (2S,3R,4R,5S,6R)-2-[4-chloranyl-3-[(4-ethoxyphenyl)methyl]phenyl]-6-methylsulfanyl-oxane-3,4,5-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose, PDZK1-interacting protein 1, ...
Authors:Hiraizumi, M, Kishida, H, Miyaguchi, I, Nureki, O.
Deposit date:2022-11-14
Release date:2023-11-15
Last modified:2024-02-07
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Transport and inhibition mechanism of the human SGLT2-MAP17 glucose transporter.
Nat.Struct.Mol.Biol., 31, 2024
8HEZ
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BU of 8hez by Molmil
Structure of human SGLT2-MAP17 complex with Dapagliflozin
Descriptor: (2S,3R,4R,5S,6R)-2-[4-chloranyl-3-[(4-ethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose, PDZK1-interacting protein 1, ...
Authors:Hiraizumi, M, Kishida, H, Miyaguchi, I, Nureki, O.
Deposit date:2022-11-09
Release date:2023-11-15
Last modified:2024-02-07
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Transport and inhibition mechanism of the human SGLT2-MAP17 glucose transporter.
Nat.Struct.Mol.Biol., 31, 2024
8HDH
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BU of 8hdh by Molmil
Structure of human SGLT2-MAP17 complex with Canagliflozin
Descriptor: (2~{S},3~{R},4~{R},5~{S},6~{R})-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methyl-phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose, PDZK1-interacting protein 1, ...
Authors:Hiraizumi, M, Kishida, H, Miyaguchi, I, Nureki, O.
Deposit date:2022-11-04
Release date:2023-11-08
Last modified:2024-02-07
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Transport and inhibition mechanism of the human SGLT2-MAP17 glucose transporter.
Nat.Struct.Mol.Biol., 31, 2024
8HIN
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BU of 8hin by Molmil
Structure of human SGLT2-MAP17 complex with Phlorizin
Descriptor: 1-[2-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,6-bis(oxidanyl)phenyl]-3-(4-hydroxyphenyl)propan-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, PDZK1-interacting protein 1, ...
Authors:Hiraizumi, M, Kishida, H, Miyaguchi, I, Nureki, O.
Deposit date:2022-11-21
Release date:2023-11-22
Last modified:2024-02-07
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Transport and inhibition mechanism of the human SGLT2-MAP17 glucose transporter.
Nat.Struct.Mol.Biol., 31, 2024
3VJM
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BU of 3vjm by Molmil
Crystal structure of human depiptidyl peptidase IV (DPP-4) in complex with a prolylthiazolidine inhibitor #1
Descriptor: 1,3-thiazolidin-3-yl[(2S,4S)-4-{4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl}pyrrolidin-2-yl]methanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Akahoshi, F, Kishida, H, Miyaguchi, I, Yoshida, T, Ishii, S.
Deposit date:2011-10-24
Release date:2012-08-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Fused bicyclic heteroarylpiperazine-substituted l-prolylthiazolidines as highly potent DPP-4 inhibitors lacking the electrophilic nitrile group
Bioorg.Med.Chem., 20, 2012
5H47
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BU of 5h47 by Molmil
Crystal structure of AOL complexed with 2-MeSe-Fuc
Descriptor: Uncharacterized protein, methyl 6-deoxy-2-Se-methyl-2-seleno-alpha-L-galactopyranoside
Authors:Kato, R, Nishikawa, Y, Makyio, H.
Deposit date:2016-10-31
Release date:2017-01-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Synthesis of seleno-fucose compounds and their application to the X-ray structural determination of carbohydrate-lectin complexes using single/multi-wavelength anomalous dispersion phasing
Bioorg. Med. Chem., 25, 2017
5Z7X
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BU of 5z7x by Molmil
Crystal structure of Striga hermonthica HTL4 (ShHTL4)
Descriptor: 1,2-ETHANEDIOL, Hyposensitive to light 4, MAGNESIUM ION
Authors:Xu, Y, Miyakawa, T, Nakamura, A, Tanokura, M.
Deposit date:2018-01-30
Release date:2018-08-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.055 Å)
Cite:Structural analysis of HTL and D14 proteins reveals the basis for ligand selectivity in Striga.
Nat Commun, 9, 2018
5ETY
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BU of 5ety by Molmil
Crystal Structure of human Tankyrase-1 bound to K-756
Descriptor: 3-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-1,4-dihydroquinazolin-2-one, Tankyrase-1, ZINC ION
Authors:Takahashi, Y, Miyagi, H, Suzuki, M, Saito, J.
Deposit date:2015-11-18
Release date:2016-06-22
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The Discovery and Characterization of K-756, a Novel Wnt/ beta-Catenin Pathway Inhibitor Targeting Tankyrase
Mol.Cancer Ther., 15, 2016
8HHQ
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BU of 8hhq by Molmil
Covalent bond formation between cysteine of PPARg-LBD and iodoacetic acid
Descriptor: GLYCOLIC ACID, Peroxisome proliferator-activated receptor gamma
Authors:Kojima, H, Itoh, T.
Deposit date:2022-11-16
Release date:2023-09-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Covalent Modifier Discovery Using Hydrogen/Deuterium Exchange-Mass Spectrometry.
J.Med.Chem., 66, 2023
8HHP
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BU of 8hhp by Molmil
Crystal structure of PPARg-LBD complexed with three partial agonists, one nTZDpa and two LT175
Descriptor: (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid, 5-CHLORO-1-(4-CHLOROBENZYL)-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID, Peroxisome proliferator-activated receptor gamma
Authors:Kojima, H, Itoh, T.
Deposit date:2022-11-16
Release date:2023-11-22
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Covalent Modifier Discovery by Hydrogen/Deuterium Exchange Mass Spectrometry (HDX-MS)
To Be Published
2G5R
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BU of 2g5r by Molmil
Crystal structure of Siglec-7 in complex with methyl-9-(aminooxalyl-amino)-9-deoxyNeu5Ac (oxamido-Neu5Ac)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CYSTEINE, Sialic acid-binding Ig-like lectin 7, ...
Authors:Attrill, H, Crocker, P.R, van Aalten, D.M.
Deposit date:2006-02-23
Release date:2006-06-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The structure of siglec-7 in complex with sialosides: leads for rational structure-based inhibitor design.
Biochem.J., 397, 2006
7VOZ
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BU of 7voz by Molmil
Solution structure of cecropin P1(1-29) in dodecylphosphocholine micelles
Descriptor: Cecropin-P1
Authors:Gu, H, Kumeta, H, Aizawa, T.
Deposit date:2021-10-15
Release date:2022-09-21
Method:SOLUTION NMR
Cite:Three-Dimensional Structure of the Antimicrobial Peptide Cecropin P1 in Dodecylphosphocholine Micelles and the Role of the C-Terminal Residues
Acs Omega, 7, 2022
2L4H
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BU of 2l4h by Molmil
The Solution Structure of Calcium Bound CIB1
Descriptor: CALCIUM ION, Calcium and integrin-binding protein 1
Authors:Huang, H, Vogel, H.J.
Deposit date:2010-10-06
Release date:2011-03-09
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution Structures of Ca2+-CIB1 and Mg2+-CIB1 and Their Interactions with the Platelet Integrin {alpha}IIb Cytoplasmic Domain.
J.Biol.Chem., 286, 2011
2L4I
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BU of 2l4i by Molmil
The Solution Structure of Magnesium bound CIB1
Descriptor: Calcium and integrin-binding protein 1, MAGNESIUM ION
Authors:Huang, H, Vogel, H.J.
Deposit date:2010-10-06
Release date:2011-03-09
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution Structures of Ca2+-CIB1 and Mg2+-CIB1 and Their Interactions with the Platelet Integrin {alpha}IIb Cytoplasmic Domain.
J.Biol.Chem., 286, 2011
7VAF
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BU of 7vaf by Molmil
Cryo-EM structure of Rat NTCP complexed with YN69202Fab
Descriptor: Fab heavy chain from antibody IgG clone number YN69202, Fab light chain from antibody IgG clone number YN69202, Sodium/bile acid cotransporter
Authors:Asami, J, Shimizu, T, Ohto, U.
Deposit date:2021-08-29
Release date:2022-05-25
Last modified:2022-07-13
Method:ELECTRON MICROSCOPY (3.11 Å)
Cite:Structure of the bile acid transporter and HBV receptor NTCP.
Nature, 606, 2022
7VAE
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BU of 7vae by Molmil
Cryo-EM structure of bovine NTCP complexed with YN69202Fab
Descriptor: Fab heavy chain from antibody IgG clone number YN69202, Fab light chain from antibody IgG clone number YN69202, Solute carrier family 10 (Sodium/bile acid cotransporter family), ...
Authors:Asami, J, Shimizu, T, Ohto, U.
Deposit date:2021-08-29
Release date:2022-05-25
Last modified:2022-07-13
Method:ELECTRON MICROSCOPY (3.55 Å)
Cite:Structure of the bile acid transporter and HBV receptor NTCP.
Nature, 606, 2022
7VAG
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BU of 7vag by Molmil
Cryo-EM structure of human NTCP complexed with YN69202Fab in the presence of myristoylated preS1 peptide
Descriptor: Fab heavy chain from antibody IgG clone number YN69202, Fab light chain from antibody IgG clone number YN69202, Sodium/bile acid cotransporter
Authors:Asami, J, Shimizu, T, Ohto, U.
Deposit date:2021-08-29
Release date:2022-05-25
Last modified:2022-07-13
Method:ELECTRON MICROSCOPY (3.32 Å)
Cite:Structure of the bile acid transporter and HBV receptor NTCP.
Nature, 606, 2022
7VAD
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BU of 7vad by Molmil
Cryo-EM structure of human NTCP complexed with YN69202Fab
Descriptor: Fab heavy chain from antibody IgG clone number YN69202, Fab light chain from antibody IgG clone number YN69202, Sodium/bile acid cotransporter
Authors:Asami, J, Shimizu, T, Ohto, U.
Deposit date:2021-08-29
Release date:2022-05-25
Last modified:2022-07-13
Method:ELECTRON MICROSCOPY (3.41 Å)
Cite:Structure of the bile acid transporter and HBV receptor NTCP.
Nature, 606, 2022
7WSI
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BU of 7wsi by Molmil
Cryo-EM structure of human NTCP (wild-type) complexed with YN69202Fab
Descriptor: Fab heavy chain from antibody IgG clone number YN69202, Fab light chain from antibody IgG clone number YN69202, Sodium/bile acid cotransporter
Authors:Asami, J, Shimizu, T, Ohto, U.
Deposit date:2022-01-29
Release date:2022-05-25
Last modified:2022-07-13
Method:ELECTRON MICROSCOPY (3.32 Å)
Cite:Structure of the bile acid transporter and HBV receptor NTCP.
Nature, 606, 2022
2DF3
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BU of 2df3 by Molmil
The structure of Siglec-7 in complex with alpha(2,3)/alpha(2,6) disialyl lactotetraosyl 2-(trimethylsilyl)ethyl
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CYSTEINE, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-[N-acetyl-alpha-neuraminic acid-(2-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Attrill, H.
Deposit date:2006-02-23
Release date:2006-06-20
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The structure of siglec-7 in complex with sialosides: leads for rational structure-based inhibitor design
Biochem.J., 397, 2006
4Y59
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BU of 4y59 by Molmil
Crystal structure of ALiS1-Streptavidin complex
Descriptor: 2-[3-(trifluoromethyl)phenyl]furo[3,2-c]pyridin-4(5H)-one, Streptavidin
Authors:Sugiyama, S, Terai, T, Kohno, M, Ishida, H, Nagano, T.
Deposit date:2015-02-11
Release date:2015-09-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Artificial Ligands of Streptavidin (ALiS): Discovery, Characterization, and Application for Reversible Control of Intracellular Protein Transport
J.Am.Chem.Soc., 137, 2015
4Y5D
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BU of 4y5d by Molmil
CRYSTAL STRUCTURE OF ALiS2-STREPTAVIDIN COMPLEX
Descriptor: 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, DIMETHYL SULFOXIDE, HEXAETHYLENE GLYCOL, ...
Authors:Sugiyama, S, Terai, T, Kohno, M, Ishida, H, Nagano, T.
Deposit date:2015-02-11
Release date:2015-09-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Artificial Ligands of Streptavidin (ALiS): Discovery, Characterization, and Application for Reversible Control of Intracellular Protein Transport
J.Am.Chem.Soc., 137, 2015
7C7V
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BU of 7c7v by Molmil
Vitamin D3 receptor/lithochoric acid derivative complex
Descriptor: (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid, FORMIC ACID, Mediator of RNA polymerase II transcription subunit 1, ...
Authors:Masuno, H, Numoto, N, Kagechika, H, Ito, N.
Deposit date:2020-05-26
Release date:2021-01-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Lithocholic Acid Derivatives as Potent Vitamin D Receptor Agonists.
J.Med.Chem., 64, 2021
7C7W
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BU of 7c7w by Molmil
Vitamin D3 receptor/lithochoric acid derivative complex
Descriptor: (4R)-4-[(3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid, FORMIC ACID, Mediator of RNA polymerase II transcription subunit 1, ...
Authors:Masuno, H, Numoto, N, Kagechika, H, Ito, N.
Deposit date:2020-05-26
Release date:2021-01-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Lithocholic Acid Derivatives as Potent Vitamin D Receptor Agonists.
J.Med.Chem., 64, 2021
7VTQ
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BU of 7vtq by Molmil
Cryo-EM structure of mouse NLRP3 (full-length) dodecamer
Descriptor: 1-[4-(2-oxidanylpropan-2-yl)furan-2-yl]sulfonyl-3-(1,2,3,5-tetrahydro-s-indacen-4-yl)urea, ADENOSINE-5'-DIPHOSPHATE, NACHT, ...
Authors:Ohto, U, Shimizu, T.
Deposit date:2021-10-30
Release date:2022-03-09
Last modified:2022-03-23
Method:ELECTRON MICROSCOPY (3.55 Å)
Cite:Structural basis for the oligomerization-mediated regulation of NLRP3 inflammasome activation.
Proc.Natl.Acad.Sci.USA, 119, 2022

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