1YLP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ylp by Molmil](/molmil-images/mine/1ylp) | Atomic resolution structure of CTX-M-27 beta-lactamase | Descriptor: | SULFATE ION, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose, beta-lactamase CTX-M-27 | Authors: | Chen, Y, Delmas, J, Sirot, J, Shoichet, B, Bonnet, R. | Deposit date: | 2005-01-19 | Release date: | 2005-04-19 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Atomic Resolution Structures of CTX-M beta-Lactamases: Extended Spectrum Activities from Increased Mobility and Decreased Stability. J.Mol.Biol., 348, 2005
|
|
1YMS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1yms by Molmil](/molmil-images/mine/1yms) | X-ray crystallographic structure of CTX-M-9 beta-lactamase complexed with nafcinin-like boronic acid inhibitor | Descriptor: | [(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID, beta-lactamase CTX-M-9 | Authors: | Chen, Y, Shoichet, B, Bonnet, R. | Deposit date: | 2005-01-21 | Release date: | 2005-04-26 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure, Function, and Inhibition along the Reaction Coordinate of CTX-M beta-Lactamases. J.Am.Chem.Soc., 127, 2005
|
|
1YLZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ylz by Molmil](/molmil-images/mine/1ylz) | X-ray crystallographic structure of CTX-M-14 beta-lactamase complexed with ceftazidime-like boronic acid | Descriptor: | BETA-LACTAMASE CTX-M-14, PHOSPHATE ION, PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE | Authors: | Chen, Y, Shoichet, B, Bonnet, R. | Deposit date: | 2005-01-19 | Release date: | 2005-04-26 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structure, Function, and Inhibition along the Reaction Coordinate of CTX-M beta-Lactamases. J.Am.Chem.Soc., 127, 2005
|
|
1YMX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ymx by Molmil](/molmil-images/mine/1ymx) | X-ray crystallographic structure of CTX-M-9 beta-lactamase covalently linked to cefoxitin | Descriptor: | (2R)-5-[(carbamoyloxy)methyl]-2-{(1S)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, beta-lactamase CTX-M-9 | Authors: | Chen, Y, Shoichet, B, Bonnet, R. | Deposit date: | 2005-01-21 | Release date: | 2005-04-26 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure, Function, and Inhibition along the Reaction Coordinate of CTX-M beta-Lactamases. J.Am.Chem.Soc., 127, 2005
|
|
1YM1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ym1 by Molmil](/molmil-images/mine/1ym1) | X-ray crystallographic structure of CTX-M-9 beta-lactamase complexed with a boronic acid inhibitor (SM2) | Descriptor: | (1R)-1-(2-THIENYLACETYLAMINO)-1-(3-CARBOXYPHENYL)METHYLBORONIC ACID, PHOSPHATE ION, beta-lactamase CTX-M-9a | Authors: | Chen, Y, Shoichet, B, Bonnet, R. | Deposit date: | 2005-01-20 | Release date: | 2005-04-26 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Structure, Function, and Inhibition along the Reaction Coordinate of CTX-M beta-Lactamases. J.Am.Chem.Soc., 127, 2005
|
|
1YLJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ylj by Molmil](/molmil-images/mine/1ylj) | Atomic resolution structure of CTX-M-9 beta-lactamase | Descriptor: | SULFATE ION, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose, beta-lactamase CTX-M-9a | Authors: | Chen, Y, Delmas, J, Sirot, J, Shoichet, B, Bonnet, R. | Deposit date: | 2005-01-19 | Release date: | 2005-04-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Atomic Resolution Structures of CTX-M beta-Lactamases: Extended Spectrum Activities from Increased Mobility and Decreased Stability. J.Mol.Biol., 348, 2005
|
|
1YLY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1yly by Molmil](/molmil-images/mine/1yly) | X-ray crystallographic structure of CTX-M-9 beta-lactamase complexed with ceftazidime-like boronic acid | Descriptor: | PHOSPHATE ION, PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE, beta-lactamase CTX-M-9 | Authors: | Chen, Y, Shoichet, B, Bonnet, R. | Deposit date: | 2005-01-19 | Release date: | 2005-04-26 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Structure, Function, and Inhibition along the Reaction Coordinate of CTX-M beta-Lactamases. J.Am.Chem.Soc., 127, 2005
|
|
1YLT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ylt by Molmil](/molmil-images/mine/1ylt) | Atomic resolution structure of CTX-M-14 beta-lactamase | Descriptor: | SULFATE ION, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose, beta-lactamase CTX-M-14 | Authors: | Chen, Y, Delmas, J, Sirot, J, Shoichet, B, Bonnet, R. | Deposit date: | 2005-01-19 | Release date: | 2005-04-19 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Atomic Resolution Structures of CTX-M beta-Lactamases: Extended Spectrum Activities from Increased Mobility and Decreased Stability. J.Mol.Biol., 348, 2005
|
|
1YLW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ylw by Molmil](/molmil-images/mine/1ylw) | X-ray structure of CTX-M-16 beta-lactamase | Descriptor: | CTX-M-16 beta-lactamase, SULFATE ION | Authors: | Chen, Y, Delmas, J, Sirot, J, Shoichet, B, Bonnet, R. | Deposit date: | 2005-01-19 | Release date: | 2005-04-19 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Atomic Resolution Structures of CTX-M beta-Lactamases: Extended Spectrum Activities from Increased Mobility and Decreased Stability. J.Mol.Biol., 348, 2005
|
|
6O2P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6o2p by Molmil](/molmil-images/mine/6o2p) | Complex of ivacaftor with cystic fibrosis transmembrane conductance regulator (CFTR) | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, ... | Authors: | Liu, F, Zhang, Z, Chen, J, Levit, A, Shoichet, B. | Deposit date: | 2019-02-24 | Release date: | 2019-06-26 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural identification of a hotspot on CFTR for potentiation. Science, 364, 2019
|
|
6O1V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6o1v by Molmil](/molmil-images/mine/6o1v) | Complex of human cystic fibrosis transmembrane conductance regulator (CFTR) and GLPG1837 | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, ADENOSINE-5'-TRIPHOSPHATE, CHOLESTEROL, ... | Authors: | Zhang, Z, Liu, F, Chen, J, Levit, A, Shoichet, B. | Deposit date: | 2019-02-21 | Release date: | 2019-06-26 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural identification of a hotspot on CFTR for potentiation. Science, 364, 2019
|
|
6OBA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6oba by Molmil](/molmil-images/mine/6oba) | The beta2 adrenergic receptor bound to a negative allosteric modulator | Descriptor: | (2S)-1-[(1-methylethyl)amino]-3-(2-prop-2-en-1-ylphenoxy)propan-2-ol, 6-bromo-N~2~-phenylquinazoline-2,4-diamine, Beta-2 adrenergic receptor,Lysozyme,Beta-2 adrenergic receptor, ... | Authors: | Liu, X, Stobel, A, Kaindl, J, Dengler, D, ClarK, M, Mahoney, J, Korczynska, M, Matt, R.A, Hubner, H, Xu, X, Stanek, M, Hirata, K, Shoichet, B, Sunahara, R, Gmeiner, R, Kobilka, B.K. | Deposit date: | 2019-03-20 | Release date: | 2020-03-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | An allosteric modulator binds to a conformational hub in the beta2adrenergic receptor. Nat.Chem.Biol., 16, 2020
|
|
8SUN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8sun by Molmil](/molmil-images/mine/8sun) | TMEM16F 1PBC | Descriptor: | 1-Hydroxy-3-(trifluoromethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, Anoctamin-6, ... | Authors: | Wu, H, Feng, S, Cheng, Y. | Deposit date: | 2023-05-12 | Release date: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (3.12 Å) | Cite: | Identification of a drug binding pocket in TMEM16F calcium-activated ion channel and lipid scramblase. Nat Commun, 14, 2023
|
|
8TAI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8tai by Molmil](/molmil-images/mine/8tai) | TMEM16F, with Calcium and PIP2, no inhibitor, Cl2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Anoctamin-6, CALCIUM ION | Authors: | Wu, H, Feng, S, Cheng, Y. | Deposit date: | 2023-06-27 | Release date: | 2023-09-06 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Identification of a drug binding pocket in TMEM16F calcium-activated ion channel and lipid scramblase. Nat Commun, 14, 2023
|
|
8TAL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8tal by Molmil](/molmil-images/mine/8tal) | TMEM16F, with Calcium and PIP2, no inhibitor, Cl1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Anoctamin-6, CALCIUM ION | Authors: | Wu, H, Feng, S, Cheng, Y. | Deposit date: | 2023-06-27 | Release date: | 2023-09-06 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Identification of a drug binding pocket in TMEM16F calcium-activated ion channel and lipid scramblase. Nat Commun, 14, 2023
|
|
8TAG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8tag by Molmil](/molmil-images/mine/8tag) | TMEM16F, with Calcium and PIP2, no inhibitor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Anoctamin-6, CALCIUM ION | Authors: | Feng, S, Cheng, Y. | Deposit date: | 2023-06-27 | Release date: | 2023-09-06 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Identification of a drug binding pocket in TMEM16F calcium-activated ion channel and lipid scramblase. Nat Commun, 14, 2023
|
|
8SUR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8sur by Molmil](/molmil-images/mine/8sur) | TMEM16F bound with Niclosamide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide, ... | Authors: | Feng, S, Cheng, Y. | Deposit date: | 2023-05-13 | Release date: | 2023-09-06 | Last modified: | 2023-11-01 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Identification of a drug binding pocket in TMEM16F calcium-activated ion channel and lipid scramblase. Nat Commun, 14, 2023
|
|
7KDT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kdt by Molmil](/molmil-images/mine/7kdt) | |
253L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 253l by Molmil](/molmil-images/mine/253l) | LYSOZYME | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, LYSOZYME | Authors: | Kuroki, R, Shoichet, B, Weaver, L.H, Matthews, B.W. | Deposit date: | 1997-11-10 | Release date: | 1998-01-28 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A relationship between protein stability and protein function. Proc.Natl.Acad.Sci.USA, 92, 1995
|
|
254L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 254l by Molmil](/molmil-images/mine/254l) | LYSOZYME | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, LYSOZYME | Authors: | Kuroki, R, Shoichet, B, Weaver, L.H, Matthews, B.W. | Deposit date: | 1997-11-10 | Release date: | 1998-01-28 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A relationship between protein stability and protein function. Proc.Natl.Acad.Sci.USA, 92, 1995
|
|
255L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 255l by Molmil](/molmil-images/mine/255l) | HYDROLASE | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, LYSOZYME | Authors: | Kuroki, R, Shoichet, B, Weaver, L.H, Matthews, B.W. | Deposit date: | 1997-11-10 | Release date: | 1998-01-28 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A relationship between protein stability and protein function. Proc.Natl.Acad.Sci.USA, 92, 1995
|
|