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PDB: 27191 results

7VJH
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class II photolyase MmCPDII semiquinone to fully reduced TR-SFX studies (5 us time-point)
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Maestre-Reyna, M, Yang, C.-H, Huang, W.-C, Nango, E, Ngura Putu, E.P.G, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Hosokawa, Y, Saft, M, Emmerich, H.-J, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Royant, A, Gad, W, Pang, A.H, Chang, C.-W, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D.
Deposit date:2021-09-28
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme.
Nat.Chem., 14, 2022
1A67
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CHICKEN EGG WHITE CYSTATIN WILDTYPE, NMR, 16 STRUCTURES
Descriptor: CYSTATIN
Authors:Dieckmann, T, Mitschang, L, Hofmann, M, Kos, J, Turk, V, Auerswald, E.A, Jaenicke, R, Oschkinat, H.
Deposit date:1998-03-06
Release date:1998-05-27
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:The structures of native phosphorylated chicken cystatin and of a recombinant unphosphorylated variant in solution.
J.Mol.Biol., 234, 1993
7VJ8
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SFX structure of archaeal class II CPD photolyase from Methanosarcina mazei in the oxidized state
Descriptor: DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION
Authors:Maestre-Reyna, M, Yang, C.-H, Huang, W.C, Nango, E, Gusti-Ngurah-Putu, E.-P, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Sugahara, M, Owada, S, Joti, Y, Tanaka, R, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D.
Deposit date:2021-09-28
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme.
Nat.Chem., 14, 2022
7VJ4
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class II photolyase MmCPDII oxidized to semiquinone TR-SFX studies (1 ms time-point)
Descriptor: DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION
Authors:Maestre-Reyna, M, Yang, C.-H, Huang, W.-C, Nango, E, Ngura Putu, E.P.G, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Hosokawa, Y, Saft, M, Emmerich, H.-J, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Royant, A, Gad, W, Pang, A.H, Chang, C.-W, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D.
Deposit date:2021-09-28
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme.
Nat.Chem., 14, 2022
7VJE
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class II photolyase MmCPDII semiquinone to fully reduced TR-SFX studies (300 ns time-point)
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Maestre-Reyna, M, Yang, C.-H, Huang, W.-C, Nango, E, Ngura Putu, E.P.G, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Hosokawa, Y, Saft, M, Emmerich, H.-J, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Royant, A, Gad, W, Pang, A.H, Chang, C.-W, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D.
Deposit date:2021-09-28
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme.
Nat.Chem., 14, 2022
3B8F
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Crystal structure of the cytidine deaminase from Bacillus anthracis
Descriptor: Putative Blasticidin S deaminase
Authors:Zhang, R, Joachimiak, G, Wu, R, Patterson, S, Gornicki, P, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2007-11-01
Release date:2007-12-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The crystal structure of the cytidine deaminase from Bacillus anthracis.
To be Published
7VJ0
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class II photolyase MmCPDII oxidized to semiquinone TR-SFX studies (1 us time-point)
Descriptor: DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION
Authors:Maestre-Reyna, M, Yang, C.-H, Huang, W.-C, Nango, E, Ngura Putu, E.P.G, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Hosokawa, Y, Saft, M, Emmerich, H.-J, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Royant, A, Gad, W, Pang, A.H, Chang, C.-W, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D.
Deposit date:2021-09-28
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme.
Nat.Chem., 14, 2022
2V8O
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Structure of the Murray Valley encephalitis virus RNA helicase to 1. 9A resolution
Descriptor: FLAVIVIRIN PROTEASE NS3
Authors:Mancini, E.J, Assenberg, R, Verma, A, Walter, T.S, Tuma, R, Grimes, J.M, Owens, R.J, Stuart, D.I.
Deposit date:2007-08-09
Release date:2007-08-21
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of the Murray Valley Encephalitis Virus RNA Helicase at 1.9 A Resolution.
Protein Sci., 16, 2007
7VJA
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class II photolyase MmCPDII semiquinone to fully reduced TR-SFX studies (10 ns time-point)
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Maestre-Reyna, M, Yang, C.-H, Huang, W.-C, Nango, E, Ngura Putu, E.P.G, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Hosokawa, Y, Saft, M, Emmerich, H.-J, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Royant, A, Gad, W, Pang, A.H, Chang, C.-W, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D.
Deposit date:2021-09-28
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme.
Nat.Chem., 14, 2022
6HRW
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BU of 6hrw by Molmil
EthR2 in complex with compound 1 (BDM14272)
Descriptor: (1~{S},5~{R})-8-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-one, Probable transcriptional regulatory protein
Authors:Wintjens, R, Wohlkonig, A, Tanina, A.
Deposit date:2018-09-28
Release date:2019-02-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:A fragment-based approach towards the discovery of N-substituted tropinones as inhibitors of Mycobacterium tuberculosis transcriptional regulator EthR2.
Eur J Med Chem, 167, 2019
6HS2
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BU of 6hs2 by Molmil
EthR2 in complex with compound 31 (BDM76150)
Descriptor: (1~{S},5~{R})-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-one, Probable transcriptional regulatory protein
Authors:Wintjens, R, Wohlkonig, A, Tanina, A.
Deposit date:2018-09-28
Release date:2019-02-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:A fragment-based approach towards the discovery of N-substituted tropinones as inhibitors of Mycobacterium tuberculosis transcriptional regulator EthR2.
Eur J Med Chem, 167, 2019
7VIX
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BU of 7vix by Molmil
class II photolyase MmCPDII oxidized to semiquinone TR-SFX studies (10 ns time-point)
Descriptor: DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION
Authors:Maestre-Reyna, M, Yang, C.-H, Huang, W.-C, Nango, E, Ngura Putu, E.P.G, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Hosokawa, Y, Saft, M, Emmerich, H.-J, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Royant, A, Gad, W, Pang, A.H, Chang, C.-W, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D.
Deposit date:2021-09-28
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme.
Nat.Chem., 14, 2022
7VJ7
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BU of 7vj7 by Molmil
SFX structure of archaeal class II CPD photolyase from Methanosarcina mazei in the fully reduced state
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Maestre-Reyna, M, Yang, C.-H, Huang, W.C, Nango, E, Gusti-Ngurah-Putu, E.-P, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Sugahara, M, Owada, S, Joti, Y, Tanaka, R, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D.
Deposit date:2021-09-28
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme.
Nat.Chem., 14, 2022
7VJJ
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BU of 7vjj by Molmil
class II photolyase MmCPDII semiquinone to fully reduced TR-SFX studies (30 us time-point)
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Maestre-Reyna, M, Yang, C.-H, Huang, W.-C, Nango, E, Ngura Putu, E.P.G, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Hosokawa, Y, Saft, M, Emmerich, H.-J, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Royant, A, Gad, W, Pang, A.H, Chang, C.-W, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D.
Deposit date:2021-09-28
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme.
Nat.Chem., 14, 2022
1A3T
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BU of 1a3t by Molmil
STAPHYLOCOCCAL NUCLEASE, V23C VARIANT, COMPLEX WITH 2-FLUOROETHANE THIOL AND 3',5'-THYMIDINE DIPHOSPHATE
Descriptor: CALCIUM ION, STAPHYLOCOCCAL NUCLEASE, THYMIDINE-3',5'-DIPHOSPHATE
Authors:Wynn, R, Harkins, P.C, Richards, F.M, Fox, R.O.
Deposit date:1998-01-24
Release date:1998-04-29
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Comparison of straight chain and cyclic unnatural amino acids embedded in the core of staphylococcal nuclease.
Protein Sci., 6, 1997
2OC1
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BU of 2oc1 by Molmil
Structure of the HCV NS3/4A Protease Inhibitor CVS4819
Descriptor: (2S)-({N-[(3S)-3-({N-[(2S,4E)-2-ISOPROPYL-7-METHYLOCT-4-ENOYL]-L-LEUCYL}AMINO)-2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETI C ACID, Hepatitis C virus, ZINC ION
Authors:Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V.
Deposit date:2006-12-20
Release date:2007-07-31
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization.
J.Med.Chem., 50, 2007
6HRZ
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BU of 6hrz by Molmil
EthR2 in complex with compound 4 (BDM72170)
Descriptor: 1-(1,3-benzothiazol-2-yl)guanidine, Probable transcriptional regulatory protein
Authors:Wintjens, R, Wohlkonig, A, Tanina, A.
Deposit date:2018-09-28
Release date:2019-02-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:A fragment-based approach towards the discovery of N-substituted tropinones as inhibitors of Mycobacterium tuberculosis transcriptional regulator EthR2.
Eur J Med Chem, 167, 2019
5AAG
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BU of 5aag by Molmil
Aurora A kinase bound to an imidazopyridine inhibitor (14b)
Descriptor: AURORA KINASE A, [3-[[4-[6-chloranyl-2-(1,3-dimethylpyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl]pyrazol-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone
Authors:McIntyre, P.J, Bayliss, R.
Deposit date:2015-07-24
Release date:2015-09-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:7-(Pyrazol-4-Yl)-3H-Imidazo[4,5-B]Pyridine-Based Derivatives for Kinase Inhibition: Co-Crystallisation Studies with Aurora-A Reveal Distinct Differences in the Orientation of the Pyrazole N1-Substituent.
Bioorg.Med.Chem.Lett., 25, 2015
3BJ3
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BU of 3bj3 by Molmil
met-Perch hemoglobin at pH 8.0
Descriptor: ACETYL GROUP, PROTOPORPHYRIN IX CONTAINING FE, hemoglobin alpha, ...
Authors:Aranda IV, R, Cai, H, Levin, E.J, Richards, M.P, Phillips Jr, G.N.
Deposit date:2007-12-02
Release date:2008-09-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural analysis of fish versus mammalian hemoglobins: Effect of the heme pocket environment on autooxidation and hemin loss.
Proteins, 75, 2008
3ZY4
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BU of 3zy4 by Molmil
Crystal structure of POFUT1 apo-form (crystal-form-I)
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PUTATIVE GDP-FUCOSE PROTEIN O-FUCOSYLTRANSFERASE 1, SULFATE ION
Authors:Lira-Navarrete, E, Valero-Gonzalez, J, Villanueva, R, Martinez-Julvez, M, Tejero, T, Merino, P, Panjikar, S, Hurtado-Guerrero, R.
Deposit date:2011-08-17
Release date:2011-09-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Structural Insights Into the Mechanism of Protein O-Fucosylation.
Plos One, 6, 2011
7VWW
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X-ray structure of a domain-swapped poly-glutamine Monellin mutant
Descriptor: DI(HYDROXYETHYL)ETHER, Monellin chain B,Monellin chain A
Authors:Manjula, R, Ramaswamy, S, Gosavi, S.
Deposit date:2021-11-12
Release date:2022-11-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Effect of polyQ on protein assembly
To Be Published
2OBO
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BU of 2obo by Molmil
Structure of HEPATITIS C VIRAL NS3 protease domain complexed with NS4A peptide and ketoamide SCH476776
Descriptor: BETA-MERCAPTOETHANOL, HCV NS3 protease, HCV NS4A peptide, ...
Authors:Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V.
Deposit date:2006-12-19
Release date:2007-07-31
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization.
J.Med.Chem., 50, 2007
4RXU
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BU of 4rxu by Molmil
Crystal structure of carbohydrate transporter solute binding protein CAUR_1924 from Chloroflexus aurantiacus, Target EFI-511158, in complex with D-glucose
Descriptor: CITRIC ACID, Periplasmic sugar-binding protein, beta-D-glucopyranose
Authors:Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Morisco, L.L, Wasserman, S.R, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Hillerich, B, Siedel, R.D, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2014-12-11
Release date:2014-12-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of sugar transporter CAUR_1924 from Chloroflexus aurantiacus, Target EFI-511158
To be Published
4K8O
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BU of 4k8o by Molmil
CRYSTAL STRUCTURE OF THE ATPASE DOMAIN OF TAP1 WITH ATP (D645N, D651A MUTANT)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Antigen peptide transporter 1, CITRIC ACID, ...
Authors:Vakkasoglu, A.S, Grossmann, N, Hulpke, S, Abele, R, Tampe, R, Gaudet, R.
Deposit date:2013-04-18
Release date:2014-09-03
Last modified:2014-12-03
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Mechanistic determinants of the directionality and energetics of active export by a heterodimeric ABC transporter.
Nat Commun, 5, 2014
4RY1
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BU of 4ry1 by Molmil
Crystal structure of periplasmic solute binding protein ECA2210 from Pectobacterium atrosepticum SCRI1043, Target EFI-510858
Descriptor: ACETATE ION, GLYCEROL, Periplasmic solute binding protein
Authors:Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Morisco, L.L, Wasserman, S.R, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Hillerich, B, Siedel, R.D, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2014-12-12
Release date:2014-12-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of periplasmic solute binding protein ECA2210 from Pectobacterium atrosepticum, Target EFI-510858
To be Published

222415

건을2024-07-10부터공개중

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