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5UNH
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BU of 5unh by Molmil
Synchrotron structure of human angiotensin II type 2 receptor in complex with compound 2 (N-[(furan-2-yl)methyl]-N-(4-oxo-2-propyl-3-{[2'-(2H-tetrazol-5-yl)[1,1'- biphenyl]-4-yl]methyl}-3,4-dihydroquinazolin-6-yl)benzamide)
分子名称: N-[(furan-2-yl)methyl]-N-(4-oxo-2-propyl-3-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydroquinazolin-6-yl)benzamide, Soluble cytochrome b562,Type-2 angiotensin II receptor
著者Zhang, H, Han, G.W, Batyuk, A, Ishchenko, A, White, K.L, Patel, N, Sadybekov, A, Zamlynny, B, Rudd, M.T, Hollenstein, K, Tolstikova, A, White, T.A, Hunter, M.S, Weierstall, U, Liu, W, Babaoglu, K, Moore, E.L, Katz, R.D, Shipman, J.M, Garcia-Calvo, M, Sharma, S, Sheth, P, Soisson, S.M, Stevens, R.C, Katritch, V, Cherezov, V.
登録日2017-01-30
公開日2017-04-05
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural basis for selectivity and diversity in angiotensin II receptors.
Nature, 544, 2017
5PTF
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BU of 5ptf by Molmil
PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 158)
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-07
公開日2017-03-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PTV
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BU of 5ptv by Molmil
PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 173)
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-07
公開日2017-03-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PUB
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BU of 5pub by Molmil
PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 189)
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-07
公開日2017-03-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
3A9S
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BU of 3a9s by Molmil
X-ray Structure of Bacillus pallidus D-Arabinose Isomerase Complex with Glycerol
分子名称: D-arabinose isomerase, GLYCEROL, MANGANESE (II) ION
著者Takeda, K, Yoshida, H, Izumori, K, Kamitori, S.
登録日2009-11-05
公開日2010-04-07
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献X-ray structures of Bacillus pallidusd-arabinose isomerase and its complex with l-fucitol.
Biochim.Biophys.Acta, 1804, 2010
5PUO
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BU of 5puo by Molmil
PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 202)
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-07
公開日2017-03-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
2Q9B
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BU of 2q9b by Molmil
Structure of FTSY:GMPPNP Complex
分子名称: 1,2-ETHANEDIOL, Cell division protein ftsY, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Reyes, C.L, Stroud, R.M.
登録日2007-06-12
公開日2007-07-03
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献X-ray Structures of the Signal Recognition Particle Receptor Reveal Targeting Cycle Intermediates.
Plos One, 2, 2007
5PV1
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BU of 5pv1 by Molmil
PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 215)
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-07
公開日2017-03-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PVO
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BU of 5pvo by Molmil
PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 239)
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-07
公開日2017-03-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PVZ
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BU of 5pvz by Molmil
PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 250)
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-07
公開日2017-03-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
3QC0
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BU of 3qc0 by Molmil
Crystal structure of a sugar isomerase (SMc04130) from SINORHIZOBIUM MELILOTI 1021 at 1.45 A resolution
分子名称: TETRAETHYLENE GLYCOL, UNKNOWN LIGAND, ZINC ION, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2011-01-14
公開日2011-04-06
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystal structure of a sugar isomerase (SMc04130) from SINORHIZOBIUM MELILOTI 1021 at 1.45 A resolution
To be published
4FMX
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BU of 4fmx by Molmil
Crystal Structure of Substrate-Bound P450cin
分子名称: 1,3,3-TRIMETHYL-2-OXABICYCLO[2.2.2]OCTANE, GLYCEROL, P450cin, ...
著者Madrona, Y, Tripathi, S.M, Huiying, L, Poulos, T.L.
登録日2012-06-18
公開日2012-07-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.554 Å)
主引用文献Crystal structures of substrate-free and nitrosyl cytochrome p450cin: implications for o(2) activation.
Biochemistry, 51, 2012
5YPJ
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BU of 5ypj by Molmil
Mycobacterium Tuberculosis Methionine aminopeptidase type 1c (C105N mutant).
分子名称: CHLORIDE ION, COBALT (II) ION, Methionine aminopeptidase, ...
著者Sandeep, C.B, Addlagatta, A.
登録日2017-11-01
公開日2018-11-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Discovery of a new class of type 1 methionine aminopeptidases that have relaxed substrate specificity.
Int.J.Biol.Macromol., 129, 2019
1MMP
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BU of 1mmp by Molmil
MATRILYSIN COMPLEXED WITH CARBOXYLATE INHIBITOR
分子名称: 5-METHYL-3-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA-12(19),13,15,17-TETRAEN-10-YLCARBAMOYL)-HEXANOIC ACID, CALCIUM ION, GELATINASE A, ...
著者Browner, M.F, Smith, W.W, Castelhano, A.L.
登録日1995-03-22
公開日1996-04-03
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Matrilysin-inhibitor complexes: common themes among metalloproteases.
Biochemistry, 34, 1995
5DF7
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BU of 5df7 by Molmil
CRYSTAL STRUCTURE OF PENICILLIN-BINDING PROTEIN 3 FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH AZLOCILLIN
分子名称: (2R,4S)-5,5-dimethyl-2-[(1R)-2-oxo-1-{[(2R)-2-{[(2-oxoimidazolidin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}ethyl]-1,3-thiazolidine-4-carboxylic acid, CHLORIDE ION, Cell division protein, ...
著者Ren, J, Nettleship, J.E, Males, A, Stuart, D.I, Owens, R.J.
登録日2015-08-26
公開日2016-01-13
最終更新日2025-10-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structures of penicillin-binding protein 3 in complexes with azlocillin and cefoperazone in both acylated and deacylated forms.
Febs Lett., 590, 2016
9MHE
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BU of 9mhe by Molmil
Native tagless Lassa virus spike complex bound to ARN-75039 at pH 8.0
分子名称: (4S)-3-(4-tert-butoxyphenyl)-7-methyl-6-{4-[(propan-2-yl)oxy]phenyl}imidazo[1,2-a]pyridine, 12.1F Heavy chain, 12.1F Light chain, ...
著者Cohen-Dvashi, H, Katz, M, Diskin, R.
登録日2024-12-11
公開日2025-08-27
最終更新日2025-09-24
実験手法ELECTRON MICROSCOPY (2.01 Å)
主引用文献pH-induced conformational changes and inhibition of the Lassa virus spike complex.
Cell Host Microbe, 33, 2025
3GR2
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BU of 3gr2 by Molmil
AmpC beta-lactamase in complex with Fragment-based Inhibitor
分子名称: 4-ethyl-5-methyl-2-(1H-tetrazol-5-yl)-1,2-dihydro-3H-pyrazol-3-one, Beta-lactamase
著者Teotico, D.T, Shoichet, B.K.
登録日2009-03-24
公開日2009-04-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Docking for fragment inhibitors of AmpC beta-lactamase
Proc.Natl.Acad.Sci.USA, 106, 2009
5YQZ
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BU of 5yqz by Molmil
Structure of the glucagon receptor in complex with a glucagon analogue
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glucagon analogue, ...
著者Zhang, H, Qiao, A, Yang, L, VAN EPS, N, Frederiksen, K, Yang, D, Dai, A, Cai, X, Zhang, H, Yi, C, Can, C, He, L, Yang, H, Lau, J, Ernst, O, Hanson, M, Stevens, R, Wang, M, Seedtz-Runge, S, Jiang, H, Zhao, Q, Wu, B.
登録日2017-11-08
公開日2018-01-17
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure of the glucagon receptor in complex with a glucagon analogue.
Nature, 553, 2018
3GRD
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BU of 3grd by Molmil
Crystal structure of NTF2-superfamily protein with unknown function (NP_977240.1) from BACILLUS CEREUS ATCC 10987 at 1.25 A resolution
分子名称: ACETATE ION, SODIUM ION, uncharacterized NTF2-superfamily protein
著者Joint Center for Structural Genomics (JCSG)
登録日2009-03-25
公開日2009-04-07
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Crystal structure of NTF2-superfamily protein with unknown function (NP_977240.1) from BACILLUS CEREUS ATCC 10987 at 1.25 A resolution
To be published
2HKU
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BU of 2hku by Molmil
Structural Genomics, the crystal structure of a putative transcriptional regulator from Rhodococcus sp. RHA1
分子名称: 1,2-ETHANEDIOL, A putative transcriptional regulator, TETRAETHYLENE GLYCOL
著者Tan, K, Evdokimova, E, Kagan, O, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2006-07-05
公開日2006-08-08
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The crystal structure of a transcriptional regulator from Rhodococcus sp. RHA1
To be Published
3QM7
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BU of 3qm7 by Molmil
Blackfin tuna carbonmonoxy-myoglobin, atomic resolution
分子名称: 1,2-ETHANEDIOL, CARBON MONOXIDE, Myoglobin, ...
著者de Serrano, V.S, Rodriguez, M.M, Schreiter, E.R.
登録日2011-02-03
公開日2012-02-08
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (0.96 Å)
主引用文献High Resolution Structures of Blackfin Tuna Myoglobin
To be Published
1SOJ
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BU of 1soj by Molmil
CATALYTIC DOMAIN OF HUMAN PHOSPHODIESTERASE 3B IN COMPLEX WITH IBMX
分子名称: 3-ISOBUTYL-1-METHYLXANTHINE, MAGNESIUM ION, cGMP-inhibited 3',5'-cyclic phosphodiesterase B
著者Scapin, G, Patel, S.B, Chung, C, Varnerin, J.P, Edmondson, S.D, Mastracchio, A, Parmee, E.R, Becker, J.W, Singh, S.B, Van Der Ploeg, L.H, Tota, M.R.
登録日2004-03-15
公開日2004-05-11
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal Structure of Human Phosphodiesterase 3B: Atomic Basis for Substrate and Inhibitor Specificity
Biochemistry, 43, 2004
3A7E
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BU of 3a7e by Molmil
Crystal structure of human COMT complexed with SAM and 3,5-dinitrocatechol
分子名称: 3,5-DINITROCATECHOL, Catechol O-methyltransferase, MAGNESIUM ION, ...
著者Tsuji, E.
登録日2009-09-26
公開日2010-09-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Hit to Lead: Comprehensive Strategy of de novo Scaffold Generation by FBDD. Part 1: In silico Fragments Linking and Verification of Spatial Proximity using Inter Ligand NOE Approachs
To be Published
7L8A
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BU of 7l8a by Molmil
BG505 SOSIP MD39 in complex with the polyclonal Fab pAbC-1 from animal Rh.33104 (Wk26 time point)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BG505 SOSIP MD39 - gp120, ...
著者Antanasijevic, A, Sewall, L.M, Torrents de la Pena, A, Ward, A.B.
登録日2020-12-31
公開日2021-08-04
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Polyclonal antibody responses to HIV Env immunogens resolved using cryoEM.
Nat Commun, 12, 2021
7L8T
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BU of 7l8t by Molmil
BG505 SOSIP.v5.2 N241/N289 in complex with the polyclonal Fab pAbC-1 from animal Rh.33311 (Wk26 time point)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BG505 SOSIP.v5.2 N241/N289 - gp120, ...
著者Antanasijevic, A, Sewall, L.M, Ward, A.B.
登録日2020-12-31
公開日2021-08-04
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Polyclonal antibody responses to HIV Env immunogens resolved using cryoEM.
Nat Commun, 12, 2021

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