4IHR
 
 | | Crystal structure of recombinant kirola (Act d 11) | | Descriptor: | CHLORIDE ION, Kirola, UNKNOWN LIGAND | | Authors: | Osinski, T, Majorek, K.A, Ciardiello, M.A, Chruszcz, M, Minor, W. | | Deposit date: | 2012-12-19 | | Release date: | 2013-09-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural and bioinformatic analysis of the kiwifruit allergen Act d 11, a member of the family of ripening-related proteins.
Mol.Immunol., 56, 2013
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4IBI
 | | Ebola virus VP35 bound to small molecule | | Descriptor: | 3-{(2S)-2-(7-chloro-1,3-benzodioxol-5-yl)-4-hydroxy-5-oxo-3-[3-(trifluoromethyl)benzoyl]-2,5-dihydro-1H-pyrrol-1-yl}benzoic acid, Polymerase cofactor VP35 | | Authors: | Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K. | | Deposit date: | 2012-12-08 | | Release date: | 2014-03-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.473 Å) | | Cite: | In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity.
J.Mol.Biol., 426, 2014
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8TGN
 | | VMAT1 dimer with serotonin and reserpine | | Descriptor: | Chromaffin granule amine transporter, SEROTONIN, reserpine | | Authors: | Ye, J, Liu, B, Li, W. | | Deposit date: | 2023-07-12 | | Release date: | 2024-03-20 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural insights into vesicular monoamine storage and drug interactions.
Nature, 629, 2024
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4IH0
 | | Crystal structure of kirola (Act d 11) from crystal soaked with serotonin | | Descriptor: | CHLORIDE ION, Kirola, MAGNESIUM ION, ... | | Authors: | Chruszcz, M, Ciardiello, M.A, Giangrieco, I, Osinski, T, Minor, W. | | Deposit date: | 2012-12-18 | | Release date: | 2013-09-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural and bioinformatic analysis of the kiwifruit allergen Act d 11, a member of the family of ripening-related proteins.
Mol.Immunol., 56, 2013
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8TGL
 | | VMAT1 dimer with norepinephrine and reserpine | | Descriptor: | Chromaffin granule amine transporter, L-NOREPINEPHRINE, reserpine | | Authors: | Ye, J, Liu, B, Li, W. | | Deposit date: | 2023-07-12 | | Release date: | 2024-03-20 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural insights into vesicular monoamine storage and drug interactions.
Nature, 629, 2024
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4IH8
 | | Crystal structure of TgCDPK1 with inhibitor bound | | Descriptor: | 4-Amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl-cyclopentane, Calmodulin-domain protein kinase 1 | | Authors: | El Bakkouri, M, Tempel, W, Crandall, I, Massad, T, Loppnau, P, Graslund, S, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Kain, K, Hui, R, Structural Genomics Consortium (SGC) | | Deposit date: | 2012-12-18 | | Release date: | 2014-04-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.877 Å) | | Cite: | Crystal structure of TgCDPK1 with inhibitor bound
To be Published
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3SZU
 | | IspH:HMBPP complex structure of E126Q mutant | | Descriptor: | (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, FE3-S4 CLUSTER | | Authors: | Span, I, Graewert, T, Bacher, A, Eisenreich, W, Groll, M. | | Deposit date: | 2011-07-19 | | Release date: | 2011-11-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal Structures of Mutant IspH Proteins Reveal a Rotation of the Substrate's Hydroxymethyl Group during Catalysis.
J.Mol.Biol., 416, 2012
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8TGI
 | | VMAT1 dimer with dopamine and reserpine | | Descriptor: | Chromaffin granule amine transporter, L-DOPAMINE, reserpine | | Authors: | Ye, J, Liu, B, Li, W. | | Deposit date: | 2023-07-12 | | Release date: | 2024-03-20 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural insights into vesicular monoamine storage and drug interactions.
Nature, 629, 2024
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7C7X
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8TGG
 | | VMAT1 dimer with MPP+ and reserpine | | Descriptor: | 1-methyl-4-phenylpyridin-1-ium, Chromaffin granule amine transporter, reserpine | | Authors: | Ye, J, Liu, B, Li, W. | | Deposit date: | 2023-07-12 | | Release date: | 2024-03-20 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structural insights into vesicular monoamine storage and drug interactions.
Nature, 629, 2024
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8TGM
 | | VMAT1 dimer with reserpine | | Descriptor: | VMAT1 dimer with reserpine, reserpine | | Authors: | Ye, J, Liu, B, Li, W. | | Deposit date: | 2023-07-12 | | Release date: | 2024-03-20 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structural insights into vesicular monoamine storage and drug interactions.
Nature, 629, 2024
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8HZ5
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3SOQ
 | | The structure of the first YWTD beta propeller domain of LRP6 in complex with a DKK1 peptide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Dickkopf-related protein 1, ... | | Authors: | Wang, W, Bourhis, E, Zhang, Y, Rouge, L, Wu, Y, Franke, Y, Cochran, A.G. | | Deposit date: | 2011-06-30 | | Release date: | 2011-09-21 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Wnt antagonists bind through a short peptide to the first beta-propeller domain of LRP5/6.
Structure, 19, 2011
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4IBE
 | | Ebola virus VP35 bound to small molecule | | Descriptor: | 5-[(2R)-3-benzoyl-2-(4-bromothiophen-2-yl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-2-chlorobenzoic acid, GLYCEROL, Polymerase cofactor VP35 | | Authors: | Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-12-08 | | Release date: | 2014-03-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity.
J.Mol.Biol., 426, 2014
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8TGH
 | | VMAT1 dimer with amphetamine and reserpine | | Descriptor: | (2S)-1-phenylpropan-2-amine, Chromaffin granule amine transporter, reserpine | | Authors: | Ye, J, Liu, B, Li, W. | | Deposit date: | 2023-07-12 | | Release date: | 2024-03-20 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structural insights into vesicular monoamine storage and drug interactions.
Nature, 629, 2024
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8TGK
 | | VMAT1 dimer with histamine and reserpine | | Descriptor: | Chromaffin granule amine transporter, HISTAMINE, reserpine | | Authors: | Ye, J, Liu, B, Li, W. | | Deposit date: | 2023-07-12 | | Release date: | 2024-03-20 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Structural insights into vesicular monoamine storage and drug interactions.
Nature, 629, 2024
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8TGJ
 | | VMAT1 dimer in unbound form and with reserpine | | Descriptor: | VMAT1 dimer in unbound form and with reserpine, reserpine | | Authors: | Ye, J, Liu, B, Li, W. | | Deposit date: | 2023-07-12 | | Release date: | 2024-03-20 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structural insights into vesicular monoamine storage and drug interactions.
Nature, 629, 2024
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4IBF
 | | Ebola virus VP35 bound to small molecule | | Descriptor: | (4-{(2R)-2-(4-bromothiophen-2-yl)-3-[(5-chlorothiophen-2-yl)carbonyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}phenyl)acetic acid, Polymerase cofactor VP35 | | Authors: | Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-12-08 | | Release date: | 2014-03-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.291 Å) | | Cite: | In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity.
J.Mol.Biol., 426, 2014
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3SV5
 | | Engineered medium-affinity halide-binding protein derived from YFP: iodide complex | | Descriptor: | 1,2-ETHANEDIOL, FORMIC ACID, Green fluorescent protein, ... | | Authors: | Wang, W, Grimley, J.S, Beese, L.S, Hellinga, H.W. | | Deposit date: | 2011-07-12 | | Release date: | 2012-07-18 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Visualization of Synaptic Inhibition with an Optogenetic Sensor Developed by Cell-Free Protein Engineering Automation.
J.Neurosci., 33, 2013
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5YHI
 | | Crystal structure of YiiM from Escherichia coli | | Descriptor: | PHOSPHATE ION, Protein YiiM | | Authors: | Namgung, B, Kim, J.H, Song, W.S, Yoon, S.I. | | Deposit date: | 2017-09-28 | | Release date: | 2018-03-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Crystal structure of the hydroxylaminopurine resistance protein, YiiM, and its putative molybdenum cofactor-binding catalytic site.
Sci Rep, 8, 2018
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8HZ4
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3SQD
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4IFG
 | | Crystal structure of TgCDPK1 with inhibitor bound | | Descriptor: | 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one, Calmodulin-domain protein kinase 1, UNKNOWN ATOM OR ION | | Authors: | El Bakkouri, M, Tempel, W, Crandall, I, Massad, T, Loppnau, P, Graslund, S, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Kain, K, Hui, R, Structural Genomics Consortium (SGC) | | Deposit date: | 2012-12-14 | | Release date: | 2014-04-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Crystal structure of TgCDPK1 with inhibitor bound
To be Published
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8IND
 | | Crystal structure of UGT74AN3-UDP-RES | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-[(1R,2S,4R,6R,7R,10S,11S,14S,16R)-14-hydroxy-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-6-yl]pyran-2-one, Glycosyltransferase, ... | | Authors: | Huang, W. | | Deposit date: | 2023-03-09 | | Release date: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Substrate Promiscuity, Crystal Structure, and Application of a Plant UDP-Glycosyltransferase UGT74AN3
Acs Catalysis, 14, 2024
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3SYT
 | | Crystal structure of glutamine-dependent NAD+ synthetase from M. tuberculosis bound to AMP/PPi, NAD+, and glutamate | | Descriptor: | ADENOSINE MONOPHOSPHATE, GLUTAMIC ACID, GLYCEROL, ... | | Authors: | Chuenchor, W, Gerratana, B. | | Deposit date: | 2011-07-18 | | Release date: | 2012-04-11 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.6511 Å) | | Cite: | Regulation of the intersubunit ammonia tunnel in Mycobacterium tuberculosis glutamine-dependent NAD+ synthetase.
Biochem.J., 443, 2012
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