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1P1Q
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BU of 1p1q by Molmil
Crystal structure of the GluR2 ligand binding core (S1S2J) L650T mutant in complex with AMPA
Descriptor: (S)-ALPHA-AMINO-3-HYDROXY-5-METHYL-4-ISOXAZOLEPROPIONIC ACID, Glutamate receptor 2, ZINC ION
Authors:Armstrong, N, Mayer, M.L, Gouaux, E.
Deposit date:2003-04-13
Release date:2003-06-10
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Tuning activation of the AMPA-sensitive GluR2 ion channel by genetic adjustment of agonist-induced conformational changes.
Proc.Natl.Acad.Sci.USA, 100, 2003
2VTY
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BU of 2vty by Molmil
Vaccinia virus anti-apoptotic F1L is a novel Bcl-2-like domain swapped dimer
Descriptor: PROTEIN F1
Authors:Kvansakul, M, Yang, H, Fairlie, W.D, Czabotar, P.E, Fischer, S.F, Perugini, M.A, Huang, D.C.S, Colman, P.M.
Deposit date:2008-05-19
Release date:2008-06-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Vaccinia Virus Anti-Apoptotic F1L is a Novel Bcl-2-Like Domain-Swapped Dimer that Binds a Highly Selective Subset of Bh3-Containing Death Ligands.
Cell Death Differ., 15, 2008
1M83
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BU of 1m83 by Molmil
Crystal Structure of Tryptophanyl-tRNA Synthetase Complexed with ATP in a Closed, Pre-transition State Conformation
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
Authors:Retailleau, P, Huang, X, Yin, Y, Hu, M, Weinreb, V, Vachette, P, Vonrhein, C, Bricogne, G, Roversi, P, Ilyin, V, Carter Jr, C.W.
Deposit date:2002-07-24
Release date:2002-12-18
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Interconversion of ATP binding and conformational free energies by tryptophanyl-tRNA synthetase: structures of ATP bound to open and closed, pre-transition-state conformations.
J.Mol.Biol., 325, 2003
3R8I
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BU of 3r8i by Molmil
Crystal Structure of PPARgamma with an achiral ureidofibrate derivative (RT86)
Descriptor: 2-(4-{2-[1,3-benzoxazol-2-yl(heptyl)amino]ethyl}phenoxy)-2-methylpropanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Pochetti, G, Montanari, R, Loiodice, F, Laghezza, A, Fracchiolla, G, Lavecchia, A, Novellino, E, Crestani, M.
Deposit date:2011-03-24
Release date:2012-01-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Synthesis, characterization and biological evaluation of ureidofibrate-like derivatives endowed with peroxisome proliferator-activated receptor activity.
J.Med.Chem., 55, 2012
2R6Y
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BU of 2r6y by Molmil
Estrogen receptor alpha ligand-binding domain in complex with a SERM
Descriptor: Estrogen receptor, [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl][4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone
Authors:Wang, Y.
Deposit date:2007-09-06
Release date:2008-04-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Prediction of the tissue-specificity of selective estrogen receptor modulators by using a single biochemical method.
Proc.Natl.Acad.Sci.Usa, 105, 2008
2CCB
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BU of 2ccb by Molmil
Complexes of Dodecin with Flavin and Flavin-like Ligands
Descriptor: CHLORIDE ION, MAGNESIUM ION, RIBOFLAVIN, ...
Authors:Grininger, M, Zeth, K, Oesterhelt, D.
Deposit date:2006-01-13
Release date:2006-01-31
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Dodecins: A Family of Lumichrome Binding Proteins.
J.Mol.Biol., 357, 2006
1P1N
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BU of 1p1n by Molmil
GluR2 Ligand Binding Core (S1S2J) Mutant L650T in Complex with Kainate
Descriptor: 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, Glutamate receptor 2
Authors:Armstrong, N, Mayer, M.L, Gouaux, E.
Deposit date:2003-04-13
Release date:2003-06-10
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Tuning activation of the AMPA-sensitive GluR2 ion channel by genetic adjustment of agonist-induced conformational changes.
Proc.Natl.Acad.Sci.USA, 100, 2003
5W30
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BU of 5w30 by Molmil
Crystal structure of mutant CJ YCEI protein (CJ-N48C) with monobromobimane guest structure
Descriptor: 3-(bromomethyl)-2,5,6-trimethyl-1H,7H-pyrazolo[1,2-a]pyrazole-1,7-dione, Putative periplasmic protein, SULFATE ION, ...
Authors:Huber, T.R, Snow, C.D.
Deposit date:2017-06-07
Release date:2018-01-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Installing Guest Molecules at Specific Sites within Scaffold Protein Crystals.
Bioconjug. Chem., 29, 2018
9ARI
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BU of 9ari by Molmil
Rat GluN1-GluN2B NMDA receptor channel in complex with glutamate
Descriptor: GLUTAMIC ACID, Glutamate receptor ionotropic, NMDA 2B, ...
Authors:Chou, T.-H, Furukawa, H.
Deposit date:2024-02-23
Release date:2024-07-31
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Molecular mechanism of ligand-gating in NMDA receptor channel
To Be Published
9ARG
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BU of 9arg by Molmil
Rat GluN1-GluN2B NMDA receptor channel in apo conformation
Descriptor: Glutamate receptor ionotropic, NMDA 1, NMDA 2B
Authors:Chou, T.-H, Furukawa, H.
Deposit date:2024-02-23
Release date:2024-07-31
Method:ELECTRON MICROSCOPY (4.05 Å)
Cite:Molecular mechanism of ligand-gating in NMDA receptor channel
To Be Published
9ARH
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BU of 9arh by Molmil
Rat GluN1-GluN2B NMDA receptor channel in complex with glycine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCINE, ...
Authors:Chou, T.-H, Furukawa, H.
Deposit date:2024-02-23
Release date:2024-07-31
Method:ELECTRON MICROSCOPY (3.69 Å)
Cite:Molecular mechanism of ligand-gating in NMDA receptor channel
To Be Published
4RQV
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BU of 4rqv by Molmil
Crystal structure of PDK1 in complex with ATP and the PIF-pocket ligand RS2
Descriptor: 3-phosphoinositide-dependent protein kinase 1, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ...
Authors:Rettenmaier, T.J, Wells, J.A.
Deposit date:2014-11-05
Release date:2014-12-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.502 Å)
Cite:A small-molecule mimic of a peptide docking motif inhibits the protein kinase PDK1.
Proc.Natl.Acad.Sci.USA, 111, 2014
2E7X
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BU of 2e7x by Molmil
Structure of the Lrp/AsnC like transcriptional regulator from Sulfolobus tokodaii 7 complexed with its cognate ligand
Descriptor: 150aa long hypothetical transcriptional regulator, GLUTAMINE, MAGNESIUM ION
Authors:Kumarevel, T.S, Karthe, P, Nakano, N, Shinkai, A, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-01-15
Release date:2008-01-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of glutamine receptor protein from Sulfolobus tokodaii strain 7 in complex with its effector L-glutamine: implications of effector binding in molecular association and DNA binding.
Nucleic Acids Res., 36, 2008
9ARE
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BU of 9are by Molmil
Rat GluN1-GluN2B NMDA receptor channel in complex with glycine, glutamate, and EU-1622-A, in open-channel conformation
Descriptor: GLUTAMIC ACID, GLYCINE, Glutamate receptor ionotropic, ...
Authors:Chou, T.-H, Furukawa, H.
Deposit date:2024-02-23
Release date:2024-07-31
Method:ELECTRON MICROSCOPY (3.72 Å)
Cite:Molecular mechanism of ligand-gating in NMDA receptor channel
To Be Published
4RQK
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BU of 4rqk by Molmil
Crystal structure of PDK1 in complex with ATP and the PIF-pocket ligand RS1
Descriptor: 3-phosphoinositide-dependent protein kinase 1, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Rettenmaier, T.J, Wells, J.A.
Deposit date:2014-11-03
Release date:2014-12-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:A small-molecule mimic of a peptide docking motif inhibits the protein kinase PDK1.
Proc.Natl.Acad.Sci.USA, 111, 2014
1GDU
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BU of 1gdu by Molmil
FUSARIUM OXYSPORUM TRYPSIN AT ATOMIC RESOLUTION
Descriptor: GLY-ALA-ARG, SULFATE ION, TRYPSIN
Authors:Rypniewski, W.R, Oestergaard, P, Noerregaard-Madsen, M, Dauter, M, Wilson, K.S.
Deposit date:2000-09-29
Release date:2001-02-07
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Fusarium oxysporum trypsin at atomic resolution at 100 and 283 K: a study of ligand binding.
Acta Crystallogr.,Sect.D, 57, 2001
5VNP
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BU of 5vnp by Molmil
X-ray crystal structure of Halotag bound to the P1 benzoxadiazole fluorogenic ligand
Descriptor: CHLORIDE ION, Haloalkane dehalogenase, N-{2-[2-(hexyloxy)ethoxy]ethyl}-N~2~-methyl-N~2~-{[7-(methylamino)-2,1,3-benzoxadiazol-4-yl]sulfonyl}glycinamide
Authors:Dunham, N.P, Boal, A.K.
Deposit date:2017-05-01
Release date:2017-06-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:AgHalo: A Facile Fluorogenic Sensor to Detect Drug-Induced Proteome Stress.
Angew. Chem. Int. Ed. Engl., 56, 2017
5W5K
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BU of 5w5k by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with KV70
Descriptor: 10-{[4-(hydroxycarbamoyl)phenyl]methyl}-5lambda~4~-pyrido[3,2-b][1,4]benzothiazin-10-ium, Histone deacetylase 6, POTASSIUM ION, ...
Authors:Porter, N.J, Christianson, D.W.
Deposit date:2017-06-15
Release date:2018-06-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Synthesis and Biological Investigation of Phenothiazine-Based Benzhydroxamic Acids as Selective Histone Deacetylase 6 Inhibitors.
J.Med.Chem., 62, 2019
7RF6
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BU of 7rf6 by Molmil
RT XFEL structure of Photosystem II 250 microseconds after the second illumination at 2.01 Angstrom resolution
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Hussein, R, Ibrahim, M, Bhowmick, A, Simon, P.S, Chatterjee, R, Lassalle, L, Doyle, M.D, Bogacz, I, Kim, I.-S, Cheah, M.H, Gul, S, de Lichtenberg, C, Chernev, P, Pham, C.C, Young, I.D, Carbajo, S, Fuller, F.D, Alonso-Mori, R, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bolotovski, R, Mendez, D, Holton, J.M, Moriarty, N.W, Adams, P.D, Bergmann, U, Sauter, N.K, Dobbek, H, Messinger, J, Zouni, A, Kern, J, Yachandra, V.K, Yano, J.
Deposit date:2021-07-13
Release date:2021-11-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structural dynamics in the water and proton channels of photosystem II during the S 2 to S 3 transition.
Nat Commun, 12, 2021
7RF4
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BU of 7rf4 by Molmil
RT XFEL structure of Photosystem II 50 microseconds after the second illumination at 2.27 Angstrom resolution
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Hussein, R, Ibrahim, M, Bhowmick, A, Simon, P.S, Chatterjee, R, Lassalle, L, Doyle, M.D, Bogacz, I, Kim, I.-S, Cheah, M.H, Gul, S, de Lichtenberg, C, Chernev, P, Pham, C.C, Young, I.D, Carbajo, S, Fuller, F.D, Alonso-Mori, R, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bolotovski, R, Mendez, D, Holton, J.M, Moriarty, N.W, Adams, P.D, Bergmann, U, Sauter, N.K, Dobbek, H, Messinger, J, Zouni, A, Kern, J, Yachandra, V.K, Yano, J.
Deposit date:2021-07-13
Release date:2021-11-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structural dynamics in the water and proton channels of photosystem II during the S 2 to S 3 transition.
Nat Commun, 12, 2021
7RF2
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BU of 7rf2 by Molmil
RT XFEL structure of dark-stable state of Photosystem II (0F, S1 rich) at 2.08 Angstrom
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Hussein, R, Ibrahim, M, Bhowmick, A, Simon, P.S, Chatterjee, R, Lassalle, L, Doyle, M.D, Bogacz, I, Kim, I.-S, Cheah, M.H, Gul, S, de Lichtenberg, C, Chernev, P, Pham, C.C, Young, I.D, Carbajo, S, Fuller, F.D, Alonso-Mori, R, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bolotovski, R, Mendez, D, Holton, J.M, Moriarty, N.W, Adams, P.D, Bergmann, U, Sauter, N.K, Dobbek, H, Messinger, J, Zouni, A, Kern, J, Yachandra, V.K, Yano, J.
Deposit date:2021-07-13
Release date:2021-11-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Structural dynamics in the water and proton channels of photosystem II during the S 2 to S 3 transition.
Nat Commun, 12, 2021
6IOQ
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BU of 6ioq by Molmil
The ligand binding domain of Mlp24 with glycine
Descriptor: CALCIUM ION, GLYCINE, Methyl-accepting chemotaxis protein
Authors:Takahashi, Y, Sumita, K, Nishiyama, S, Kawagishi, I, Imada, K.
Deposit date:2018-10-31
Release date:2019-03-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.143 Å)
Cite:Calcium Ions Modulate Amino Acid Sensing of the Chemoreceptor Mlp24 ofVibrio cholerae.
J. Bacteriol., 201, 2019
6IOU
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BU of 6iou by Molmil
The ligand binding domain of Mlp24 with serine
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Methyl-accepting chemotaxis protein, ...
Authors:Takahashi, Y, Sumita, K, Nishiyama, S, Kawagishi, I, Imada, K.
Deposit date:2018-10-31
Release date:2019-03-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Calcium Ions Modulate Amino Acid Sensing of the Chemoreceptor Mlp24 ofVibrio cholerae.
J. Bacteriol., 201, 2019
7RF8
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BU of 7rf8 by Molmil
RT XFEL structure of the two-flash state of Photosystem II (2F, S3-rich) at 2.09 Angstrom resolution
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Hussein, R, Ibrahim, M, Bhowmick, A, Simon, P.S, Chatterjee, R, Lassalle, L, Doyle, M.D, Bogacz, I, Kim, I.-S, Cheah, M.H, Gul, S, de Lichtenberg, C, Chernev, P, Pham, C.C, Young, I.D, Carbajo, S, Fuller, F.D, Alonso-Mori, R, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bolotovski, R, Mendez, D, Holton, J.M, Moriarty, N.W, Adams, P.D, Bergmann, U, Sauter, N.K, Dobbek, H, Messinger, J, Zouni, A, Kern, J, Yachandra, V.K, Yano, J.
Deposit date:2021-07-13
Release date:2021-11-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structural dynamics in the water and proton channels of photosystem II during the S 2 to S 3 transition.
Nat Commun, 12, 2021
7RF3
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BU of 7rf3 by Molmil
RT XFEL structure of the one-flash state of Photosystem II (1F, S2-rich) at 2.26 Angstrom resolution
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Hussein, R, Ibrahim, M, Bhowmick, A, Simon, P.S, Chatterjee, R, Lassalle, L, Doyle, M.D, Bogacz, I, Kim, I.-S, Cheah, M.H, Gul, S, de Lichtenberg, C, Chernev, P, Pham, C.C, Young, I.D, Carbajo, S, Fuller, F.D, Alonso-Mori, R, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bolotovski, R, Mendez, D, Holton, J.M, Moriarty, N.W, Adams, P.D, Bergmann, U, Sauter, N.K, Dobbek, H, Messinger, J, Zouni, A, Kern, J, Yachandra, V.K, Yano, J.
Deposit date:2021-07-13
Release date:2021-11-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Structural dynamics in the water and proton channels of photosystem II during the S 2 to S 3 transition.
Nat Commun, 12, 2021

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數據於2024-07-31公開中

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