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4UUC
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BU of 4uuc by Molmil
Crystal structure of human ASB11 ankyrin repeat domain
Descriptor: ANKYRIN REPEAT AND SOCS BOX PROTEIN 11
Authors:Pinkas, D.M, Sanvitale, C, Kragh Nielsen, T, Guo, K, Sorrell, F, Berridge, G, Ayinampudi, V, Wang, D, Newman, J.A, Tallant, C, Chaikuad, A, Canning, P, Kopec, J, Krojer, T, Vollmar, M, Allerston, C.K, Chalk, R, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Bullock, A.
Deposit date:2014-07-25
Release date:2014-08-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of Human Asb11 Ankyrin Repeat Domain
To be Published
4UYI
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BU of 4uyi by Molmil
Crystal structure of the BTB domain of human SLX4 (BTBD12)
Descriptor: STRUCTURE-SPECIFIC ENDONUCLEASE SUBUNIT SLX4
Authors:Pinkas, D.M, Sanvitale, C.E, Strain-Damerell, C, Fairhead, M, Wang, D, Tallant, C, Cooper, C.D.O, Sorrell, F.J, Kopec, J, Chaikuad, A, Fitzpatrick, F, Pike, A.C.W, Hozjan, V, Ying, Z, Roos, A.K, Savitsky, P, Bradley, A, Nowak, R, Filippakopoulos, P, Krojer, T, Burgess-Brown, N.A, Marsden, B.D, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
Deposit date:2014-09-01
Release date:2014-10-01
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Crystal Structure of the Btb Domain of Human Slx4 (Btbd12)
To be Published
4CAS
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BU of 4cas by Molmil
Serial femtosecond crystallography structure of a photosynthetic reaction center
Descriptor: (2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-2,6,10,14,18,22,26,30-OCTAENYL TRIHYDROGEN DIPHOSPHATE, 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL A, ...
Authors:Johansson, L.C, Arnlund, D, Katona, G, White, T.A, Barty, A, DePonte, D.P, Shoeman, R.L, Wickstrand, C, Sharma, A, Williams, G.J, Aquila, A, Bogan, M.J, Caleman, C, Davidsson, J, Doak, R.B, Frank, M, Fromme, R, Galli, L, Grotjohann, I, Hunter, M.S, Kassemeyer, S, Kirian, R.A, Kupitz, C, Liang, M, Lomb, L, Malmerberg, E, Martin, A.V, Messerschmidt, M, Nass, K, Redecke, L, Seibert, M.M, Sjohamn, J, Steinbrener, J, Stellato, F, Wang, D, Wahlgren, W.Y, Weierstall, U, Westenhoff, S, Zatsepin, N.A, Boutet, S, Spence, J.C.H, Schlichting, I, Chapman, H.N, Fromme, P, Neutze, R.
Deposit date:2013-10-09
Release date:2013-12-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structure of a photosynthetic reaction centre determined by serial femtosecond crystallography.
Nat Commun, 4, 2013
4NC3
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BU of 4nc3 by Molmil
Crystal structure of the 5-HT2B receptor solved using serial femtosecond crystallography in lipidic cubic phase.
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHOLESTEROL, ...
Authors:Liu, W, Wacker, D, Gati, C, Han, G.W, James, D, Wang, D, Nelson, G, Weierstall, U, Katritch, V, Barty, A, Zatsepin, N.A, Li, D, Messerschmidt, M, Boutet, S, Williams, G.J, Koglin, J.E, Seibert, M.M, Wang, C, Shah, S.T.A, Basu, S, Fromme, R, Kupitz, C, Rendek, K.N, Grotjohann, I, Fromme, P, Kirian, R.A, Beyerlein, K.R, White, T.A, Chapman, H.N, Caffrey, M, Spence, J.C.H, Stevens, R.C, Cherezov, V, GPCR Network (GPCR)
Deposit date:2013-10-23
Release date:2013-12-18
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Serial femtosecond crystallography of G protein-coupled receptors.
Science, 342, 2013
8SY5
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BU of 8sy5 by Molmil
E. coli DNA-directed RNA polymerase transcription elongation complex bound the unnatural dS-BTP base pair in the active site
Descriptor: 2-oxo-2-hydroadenosine 5'-(tetrahydrogen triphosphate), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Shan, Z, Lyumkis, D, Oh, J, Wang, D.
Deposit date:2023-05-24
Release date:2023-12-27
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:A unified Watson-Crick geometry drives transcription of six-letter expanded DNA alphabets by E. coli RNA polymerase.
Nat Commun, 14, 2023
8SY6
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BU of 8sy6 by Molmil
E. coli DNA-directed RNA polymerase transcription elongation complex bound the unnatural dB-UTP base pair in the active site
Descriptor: 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Shan, Z, Lyumkis, D, Oh, J, Wang, D.
Deposit date:2023-05-24
Release date:2023-12-27
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.28 Å)
Cite:A unified Watson-Crick geometry drives transcription of six-letter expanded DNA alphabets by E. coli RNA polymerase.
Nat Commun, 14, 2023
8SY7
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BU of 8sy7 by Molmil
E. coli DNA-directed RNA polymerase transcription elongation complex bound the unnatural dB-STP base pair in the active site
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Shan, Z, Lyumkis, D, Oh, J, Wang, D.
Deposit date:2023-05-24
Release date:2023-12-27
Method:ELECTRON MICROSCOPY (2.65 Å)
Cite:A unified Watson-Crick geometry drives transcription of six-letter expanded DNA alphabets by E. coli RNA polymerase.
Nat Commun, 14, 2023
4UX5
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BU of 4ux5 by Molmil
Structure of DNA complex of PCG2
Descriptor: 5'-D(*CP*AP*AP*TP*GP*AP*CP*GP*CP*GP*TP*AP*AP*GP)-3', 5'-D(*CP*TP*TP*AP*CP*GP*CP*GP*TP*CP*AP*TP*TP*GP)-3', TRANSCRIPTION FACTOR MBP1
Authors:Liu, J, Huang, J, Zhao, Y, Liu, H, Wang, D, Yang, J, Zhao, W, Taylor, I.A, Peng, Y.
Deposit date:2014-08-19
Release date:2015-01-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Basis of DNA Recognition by Pcg2 Reveals a Novel DNA Binding Mode for Winged Helix-Turn-Helix Domains.
Nucleic Acids Res., 43, 2015
4O9R
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BU of 4o9r by Molmil
Human Smoothened Receptor structure in complex with cyclopamine
Descriptor: Cyclopamine, Smoothened homolog/Soluble cytochrome b562 chimeric protein
Authors:Wang, C, Weierstall, U, James, D, White, T.A, Wang, D, Liu, W, Spence, J.C.H, Doak, R.B, Nelson, G, Fromme, P, Fromme, R, Grotjohann, I, Kupitz, C, Zatsepin, N.A, Liu, H, Basu, S, Wacker, D, Han, G.W, Katritch, V, Boutet, S, Messerschmidt, M, Willams, G.J, Koglin, J.E, Seibert, M.M, Klinker, M, Gati, C, Shoeman, R.L, Barty, A, Chapman, H.N, Kirian, R.A, Beyerlein, K.R, Stevens, R.C, Li, D, Shah, S.T.A, Howe, N, Caffrey, M, Cherezov, V, GPCR Network (GPCR)
Deposit date:2014-01-02
Release date:2014-03-05
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.204 Å)
Cite:Lipidic cubic phase injector facilitates membrane protein serial femtosecond crystallography.
Nat Commun, 5, 2014
5W51
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BU of 5w51 by Molmil
Pol II elongation complex with an N6-methyladenine-containing template and a matched UMPNPP
Descriptor: 14mer non-template DNA, 29mer template DNA, 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine, ...
Authors:Wang, W, Wang, D.
Deposit date:2017-06-13
Release date:2018-06-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.404 Å)
Cite:Epigenetic DNA Modification N6-Methyladenine Causes Site-Specific RNA Polymerase II Transcriptional Pausing.
J.Am.Chem.Soc., 139, 2017
5W4U
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BU of 5w4u by Molmil
Pol II elongation complex with an N6-methyladenine-containing template
Descriptor: 14mer non-template DNA, 29mer template DNA, 9mer RNA, ...
Authors:Wang, W, Wang, D.
Deposit date:2017-06-13
Release date:2018-06-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Epigenetic DNA Modification N6-Methyladenine Causes Site-Specific RNA Polymerase II Transcriptional Pausing.
J.Am.Chem.Soc., 139, 2017
6BLP
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BU of 6blp by Molmil
Pol II elongation complex with an abasic lesion at i+1 position, soaking AMPCPP
Descriptor: DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, DNA (5'-D(P*AP*(3DR)P*CP*TP*CP*TP*CP*GP*AP*TP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, ...
Authors:Wang, W, Wang, D.
Deposit date:2017-11-11
Release date:2018-02-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.203 Å)
Cite:Structural basis of transcriptional stalling and bypass of abasic DNA lesion by RNA polymerase II.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
8P2W
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BU of 8p2w by Molmil
Structure of human SIT1 (focussed map / refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Sodium- and chloride-dependent transporter XTRP3
Authors:Li, H.Z, Pike, A.C.W, Chi, G, Hansen, J.S, Lee, S.G, Rodstrom, K.E.J, Bushell, S.R, Speedman, D, Evans, A, Wang, D, He, D, Shrestha, L, Nasrallah, C, Chalk, R, Moreira, T, MacLean, E.M, Marsden, B, Bountra, C, Burgess-Brown, N.A, Dafforn, T.R, Carpenter, E.P, Sauer, D.B.
Deposit date:2023-05-16
Release date:2024-06-12
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.76 Å)
Cite:Structure and function of the SIT1 proline transporter in complex with the COVID-19 receptor ACE2.
Nat Commun, 15, 2024
8P2Z
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BU of 8p2z by Molmil
Structure of human SIT1 bound to L-pipecolate (focussed map / refinement)
Descriptor: (2S)-piperidine-2-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Li, H.Z, Pike, A.C.W, Chi, G, Hansen, J.S, Lee, S.G, Rodstrom, K.E.J, Bushell, S.R, Speedman, D, Evans, A, Wang, D, He, D, Shrestha, L, Nasrallah, C, Chalk, R, Moreira, T, MacLean, E.M, Marsden, B, Bountra, C, Burgess-Brown, N.A, Dafforn, T.R, Carpenter, E.P, Sauer, D.B.
Deposit date:2023-05-16
Release date:2024-06-12
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structure and function of the SIT1 proline transporter in complex with the COVID-19 receptor ACE2.
Nat Commun, 15, 2024
8P30
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BU of 8p30 by Molmil
Structure of human SIT1:ACE2 complex (open PD conformation) bound to L-pipecolate
Descriptor: (2S)-piperidine-2-carboxylic acid, 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Li, H.Z, Pike, A.C.W, Chi, G, Hansen, J.S, Lee, S.G, Rodstrom, K.E.J, Bushell, S.R, Speedman, D, Evans, A, Wang, D, He, D, Shrestha, L, Nasrallah, C, Chalk, R, Moreira, T, MacLean, E.M, Marsden, B, Bountra, C, Burgess-Brown, N.A, Dafforn, T.R, Carpenter, E.P, Sauer, D.B.
Deposit date:2023-05-16
Release date:2024-06-12
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.29 Å)
Cite:Structure and function of the SIT1 proline transporter in complex with the COVID-19 receptor ACE2.
Nat Commun, 15, 2024
8P2Y
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BU of 8p2y by Molmil
Structure of human SIT1:ACE2 complex (closed PD conformation)
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Li, H.Z, Pike, A.C.W, Chi, G, Hansen, J.S, Lee, S.G, Rodstrom, K.E.J, Bushell, S.R, Speedman, D, Evans, A, Wang, D, He, D, Shrestha, L, Nasrallah, C, Chalk, R, Moreira, T, MacLean, E.M, Marsden, B, Bountra, C, Burgess-Brown, N.A, Dafforn, T.R, Carpenter, E.P, Sauer, D.B.
Deposit date:2023-05-16
Release date:2024-06-12
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.46 Å)
Cite:Structure and function of the SIT1 proline transporter in complex with the COVID-19 receptor ACE2.
Nat Commun, 15, 2024
8P31
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BU of 8p31 by Molmil
Structure of human SIT1:ACE2 complex (closed PD conformation) bound to L-pipecolate
Descriptor: (2S)-piperidine-2-carboxylic acid, 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Li, H.Z, Pike, A.C.W, Chi, G, Hansen, J.S, Lee, S.G, Rodstrom, K.E.J, Bushell, S.R, Speedman, D, Evans, A, Wang, D, He, D, Shrestha, L, Nasrallah, C, Chalk, R, Moreira, T, MacLean, E.M, Marsden, B, Bountra, C, Burgess-Brown, N.A, Dafforn, T.R, Carpenter, E.P, Sauer, D.B.
Deposit date:2023-05-16
Release date:2024-06-12
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.24 Å)
Cite:Structure and function of the SIT1 proline transporter in complex with the COVID-19 receptor ACE2.
Nat Commun, 15, 2024
8P2X
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BU of 8p2x by Molmil
Structure of human SIT1:ACE2 complex (open PD conformation)
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Li, H.Z, Pike, A.C.W, Chi, G, Hansen, J.S, Lee, S.G, Rodstrom, K.E.J, Bushell, S.R, Speedman, D, Evans, A, Wang, D, He, D, Shrestha, L, Nasrallah, C, Chalk, R, Moreira, T, MacLean, E.M, Marsden, B, Bountra, C, Burgess-Brown, N.A, Dafforn, T.R, Carpenter, E.P, Sauer, D.B.
Deposit date:2023-05-16
Release date:2024-06-12
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.59 Å)
Cite:Structure and function of the SIT1 proline transporter in complex with the COVID-19 receptor ACE2.
Nat Commun, 15, 2024
6BM4
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BU of 6bm4 by Molmil
Pol II elongation complex with an abasic lesion at i-1 position,soaking UMPNPP
Descriptor: 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine, DNA (5'-D(P*CP*AP*(3DR)P*CP*TP*CP*TP*TP*GP*AP*TP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, ...
Authors:Wang, W, Wang, D.
Deposit date:2017-11-13
Release date:2018-02-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.951 Å)
Cite:Structural basis of transcriptional stalling and bypass of abasic DNA lesion by RNA polymerase II.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
8FE5
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BU of 8fe5 by Molmil
Structure of J-PKAc chimera complexed with Aplithianine B
Descriptor: 6-[(6P)-6-(1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-7,9-dihydro-8H-purin-8-one, DnaJ homolog subfamily B member 1,cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
Authors:Du, L, Wilson, B.A.P, Li, N, Martinez Fiesco, J.A, Dalilian, M, Wang, D, Smith, E.A, Wamiru, A, Goncharova, E.I, Zhang, P, O'Keefe, B.R.
Deposit date:2022-12-05
Release date:2023-10-18
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Discovery and Synthesis of a Naturally Derived Protein Kinase Inhibitor that Selectively Inhibits Distinct Classes of Serine/Threonine Kinases.
J.Nat.Prod., 86, 2023
6BQF
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BU of 6bqf by Molmil
Pol II elongation complex with 'dT-AP' at i+1, i-1 position
Descriptor: DNA (5'-D(P*CP*TP*(3DR)P*CP*TP*CP*TP*TP*GP*AP*TP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, ...
Authors:Wang, W, Wang, D.
Deposit date:2017-11-27
Release date:2018-02-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Structural basis of transcriptional stalling and bypass of abasic DNA lesion by RNA polymerase II.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6BLO
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BU of 6blo by Molmil
Pol II elongation complex with an abasic lesion at i+1 position
Descriptor: DNA (5'-D(P*AP*(3DR)P*CP*TP*CP*TP*CP*GP*AP*TP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, ...
Authors:Wang, W, Wang, D.
Deposit date:2017-11-10
Release date:2018-02-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.401 Å)
Cite:Structural basis of transcriptional stalling and bypass of abasic DNA lesion by RNA polymerase II.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6BM2
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BU of 6bm2 by Molmil
Pol II elongation complex with an abasic lesion at i-1 position
Descriptor: DNA (5'-D(P*CP*AP*(3DR)P*CP*TP*CP*TP*TP*GP*AP*TP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, ...
Authors:Wang, W, Wang, D.
Deposit date:2017-11-13
Release date:2018-02-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.403 Å)
Cite:Structural basis of transcriptional stalling and bypass of abasic DNA lesion by RNA polymerase II.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
2DSM
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BU of 2dsm by Molmil
NMR Structure of Bacillus Subtilis Protein YqaI, Northeast Structural Genomics Target SR450
Descriptor: Hypothetical protein yqaI
Authors:Ramelot, T.A, Cort, J.R, Wang, D, Janua, H, Cunningham, K, Ma, L.C, Xiao, R, Liu, J, Baran, M, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-07-01
Release date:2006-08-26
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:NMR Structure of Bacillus Subtilis Protein YqaI, Northeast Structural Genomics Target SR450
to be published
8BLO
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BU of 8blo by Molmil
Human Urea Transporter UT-A (N-Terminal Domain Model)
Descriptor: Lauryl Maltose Neopentyl Glycol, Urea transporter 2, di-heneicosanoyl phosphatidyl choline
Authors:Chi, G, Pike, A.C.W, Maclean, E.M, Mukhopadhyay, S.M.M, Bohstedt, T, Scacioc, A, Wang, D, McKinley, G, Fernandez-Cid, A, Arrowsmith, C.H, Bountra, C, Edwards, A, Burgess-Brown, N.A, van Putte, W, Duerr, K.
Deposit date:2022-11-10
Release date:2023-10-04
Last modified:2023-10-11
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural characterization of human urea transporters UT-A and UT-B and their inhibition.
Sci Adv, 9, 2023

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