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6V55
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Full extracellular region of zebrafish Gpr126/Adgrg6
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Adhesion G-protein coupled receptor G6, CALCIUM ION
著者Leon, K, Arac, D.
登録日2019-12-03
公開日2020-01-15
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Structural basis for adhesion G protein-coupled receptor Gpr126 function.
Nat Commun, 11, 2020
7KKJ
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BU of 7kkj by Molmil
Structure of anti-SARS-CoV-2 Spike nanobody mNb6
分子名称: CHLORIDE ION, SULFATE ION, Synthetic nanobody mNb6
著者Schoof, M.S, Faust, B.F, Saunders, R.A, Sangwan, S, Rezelj, V, Hoppe, N, Boone, M, Billesboelle, C.B, Puchades, C, Azumaya, C.M, Kratochvil, H.T, Zimanyi, M, Desphande, I, Liang, J, Dickinson, S, Nguyen, H.C, Chio, C.M, Merz, G.E, Thompson, M.C, Diwanji, D, Schaefer, K, Anand, A.A, Dobzinski, N, Zha, B.S, Simoneau, C.R, Leon, K, White, K.M, Chio, U.S, Gupta, M, Jin, M, Li, F, Liu, Y, Zhang, K, Bulkley, D, Sun, M, Smith, A.M, Rizo, A.N, Moss, F, Brilot, A.F, Pourmal, S, Trenker, R, Pospiech, T, Gupta, S, Barsi-Rhyne, B, Belyy, V, Barile-Hill, A.W, Nock, S, Liu, Y, Krogan, N.J, Ralston, C.Y, Swaney, D.L, Garcia-Sastre, A, Ott, M, Vignuzzi, M, Walter, P, Manglik, A, QCRG Structural Biology Consortium
登録日2020-10-27
公開日2020-11-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献An ultrapotent synthetic nanobody neutralizes SARS-CoV-2 by stabilizing inactive Spike.
Science, 370, 2020
7KKK
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SARS-CoV-2 Spike in complex with neutralizing nanobody Nb6
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, Spike glycoprotein, ...
著者Schoof, M.S, Faust, B.F, Saunders, R.A, Sangwan, S, Rezelj, V, Hoppe, N, Boone, M, Billesboelle, C.B, Puchades, C, Azumaya, C.M, Kratochvil, H.T, Zimanyi, M, Desphande, I, Liang, J, Dickinson, S, Nguyen, H.C, Chio, C.M, Merz, G.E, Thompson, M.C, Diwanji, D, Schaefer, K, Anand, A.A, Dobzinski, N, Zha, B.S, Simoneau, C.R, Leon, K, White, K.M, Chio, U.S, Gupta, M, Jin, M, Li, F, Liu, Y, Zhang, K, Bulkley, D, Sun, M, Smith, A.M, Rizo, A.N, Moss, F, Brilot, A.F, Pourmal, S, Trenker, R, Pospiech, T, Gupta, S, Barsi-Rhyne, B, Belyy, V, Barile-Hill, A.W, Nock, S, Liu, Y, Krogan, N.J, Ralston, C.Y, Swaney, D.L, Garcia-Sastre, A, Ott, M, Vignuzzi, M, Walter, P, Manglik, A, QCRG Structural Biology Consortium
登録日2020-10-27
公開日2020-11-11
最終更新日2021-04-21
実験手法ELECTRON MICROSCOPY (3.03 Å)
主引用文献An ultrapotent synthetic nanobody neutralizes SARS-CoV-2 by stabilizing inactive Spike.
Science, 370, 2020
7KKL
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BU of 7kkl by Molmil
SARS-CoV-2 Spike in complex with neutralizing nanobody mNb6
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, Spike glycoprotein, ...
著者Schoof, M.S, Faust, B.F, Saunders, R.A, Sangwan, S, Rezelj, V, Hoppe, N, Boone, M, Billesboelle, C.B, Puchades, C, Azumaya, C.M, Kratochvil, H.T, Zimanyi, M, Desphande, I, Liang, J, Dickinson, S, Nguyen, H.C, Chio, C.M, Merz, G.E, Thompson, M.C, Diwanji, D, Schaefer, K, Anand, A.A, Dobzinski, N, Zha, B.S, Simoneau, C.R, Leon, K, White, K.M, Chio, U.S, Gupta, M, Jin, M, Li, F, Liu, Y, Zhang, K, Bulkley, D, Sun, M, Smith, A.M, Rizo, A.N, Moss, F, Brilot, A.F, Pourmal, S, Trenker, R, Pospiech, T, Gupta, S, Barsi-Rhyne, B, Belyy, V, Barile-Hill, A.W, Nock, S, Liu, Y, Krogan, N.J, Ralston, C.Y, Swaney, D.L, Garcia-Sastre, A, Ott, M, Vignuzzi, M, Walter, P, Manglik, A, QCRG Structural Biology Consortium
登録日2020-10-27
公開日2020-11-11
最終更新日2021-04-21
実験手法ELECTRON MICROSCOPY (2.85 Å)
主引用文献An ultrapotent synthetic nanobody neutralizes SARS-CoV-2 by stabilizing inactive Spike.
Science, 370, 2020
4GZY
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BU of 4gzy by Molmil
Crystal structures of bacterial RNA Polymerase paused elongation complexes
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Weixlbaumer, A, Leon, K, Landick, R, Darst, S.A.
登録日2012-09-06
公開日2013-02-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.5054 Å)
主引用文献Structural basis of transcriptional pausing in bacteria.
Cell(Cambridge,Mass.), 152, 2013
4GZZ
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BU of 4gzz by Molmil
Crystal structures of bacterial RNA Polymerase paused elongation complexes
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Weixlbaumer, A, Leon, K, Landick, R, Darst, S.A.
登録日2012-09-06
公開日2013-02-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (4.2927 Å)
主引用文献Structural basis of transcriptional pausing in bacteria.
Cell(Cambridge,Mass.), 152, 2013
1M0U
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BU of 1m0u by Molmil
Crystal Structure of the Drosophila Glutathione S-transferase-2 in Complex with Glutathione
分子名称: GLUTATHIONE, GST2 gene product, SULFATE ION
著者Agianian, B, Tucker, P.A, Schouten, A, Leonard, K, Bullard, B, Gros, P.
登録日2002-06-14
公開日2003-02-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure of a Drosophila Sigma Class Glutathione S-transferase Reveals a Novel Active Site Topography Suited for Lipid Peroxidation Products
J.Mol.Biol., 326, 2003
8EM3
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BU of 8em3 by Molmil
Carbonic Anhydrase II in complex with the diaryl urea molecule J2
分子名称: 4-[(3-methoxyphenyl)carbamamido]benzene-1-sulfonamide, Carbonic anhydrase 2, ZINC ION
著者Combs, J, McKenna, R.
登録日2022-09-26
公開日2023-09-27
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Prospective Diaryl urea: Prevent growth of breast cancer cells by inhibition and down-regulation of Carbonic Anhydrase IX.
To Be Published
8DJG
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BU of 8djg by Molmil
ADGRL3-lectin domain in complex with an activating synthetic antibody fragment
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, Isoform 2 of Adhesion G protein-coupled receptor L3, ...
著者Kordon, S.P, Bandekar, S.J, Arac, D.
登録日2022-06-30
公開日2023-02-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Isoform- and ligand-specific modulation of the adhesion GPCR ADGRL3/Latrophilin3 by a synthetic binder.
Nat Commun, 14, 2023
4XAX
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BU of 4xax by Molmil
Crystal structure of Thermus thermophilus CarD in complex with the Thermus aquaticus RNA polymerase beta1 domain
分子名称: 1,2-ETHANEDIOL, CarD, DNA-directed RNA polymerase subunit beta domain 1
著者Chen, J, Bae, B, Campbell, E.A, Darst, S.A.
登録日2014-12-15
公開日2015-09-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.404 Å)
主引用文献CarD uses a minor groove wedge mechanism to stabilize the RNA polymerase open promoter complex.
Elife, 4, 2015
4XLR
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BU of 4xlr by Molmil
Crystal structure of T.aquaticus transcription initiation complex with CarD containing bubble promoter and RNA
分子名称: CarD-like transcriptional regulator, DNA (48-MER), DNA-directed RNA polymerase subunit alpha, ...
著者Bae, B, Darst, S.A.
登録日2015-01-13
公開日2015-09-23
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (4.3 Å)
主引用文献CarD uses a minor groove wedge mechanism to stabilize the RNA polymerase open promoter complex.
Elife, 4, 2015
6VHH
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BU of 6vhh by Molmil
Human Teneurin-2 and human Latrophilin-3 binary complex
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, Adhesion G protein-coupled receptor L3, ...
著者Xie, Y, Li, J, Arac, D, Zhao, M.
登録日2020-01-09
公開日2020-06-03
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (2.97 Å)
主引用文献Alternative splicing controls teneurin-latrophilin interaction and synapse specificity by a shape-shifting mechanism.
Nat Commun, 11, 2020
4XLS
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BU of 4xls by Molmil
Crystal structure of T. aquaticus transcription initiation complex with CarD containing upstream fork promoter.
分子名称: CarD-like transcriptional regulator, DNA (30-MER), DNA (5'-D(P*GP*CP*AP*CP*AP*AP*TP*TP*TP*AP*AP*CP*AP*CP*TP*TP*TP*TP*GP*TP*CP*AP*AP*G)-3'), ...
著者Bae, B, Darst, S.A.
登録日2015-01-13
公開日2015-09-23
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (4.01 Å)
主引用文献CarD uses a minor groove wedge mechanism to stabilize the RNA polymerase open promoter complex.
Elife, 4, 2015
5KVM
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BU of 5kvm by Molmil
Extracellular region of mouse GPR56/ADGRG1 in complex with FN3 monobody
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, Adhesion G-protein coupled receptor G1, ...
著者Salzman, G.S, Ding, C, Koide, S, Arac, D.
登録日2016-07-14
公開日2016-09-28
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.449 Å)
主引用文献Structural Basis for Regulation of GPR56/ADGRG1 by Its Alternatively Spliced Extracellular Domains.
Neuron, 91, 2016
5VT0
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BU of 5vt0 by Molmil
Escherichia coli 6S RNA derivative in complex with Escherichia coli RNA polymerase sigma70-holoenzyme
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Chen, J, Darst, S.A.
登録日2017-05-15
公開日2017-11-01
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.78 Å)
主引用文献6S RNA Mimics B-Form DNA to Regulate Escherichia coli RNA Polymerase.
Mol. Cell, 68, 2017
6CMX
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BU of 6cmx by Molmil
Human Teneurin 2 extra-cellular region
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Teneurin-2, alpha-D-mannopyranose, ...
著者Shalev-Benami, M, Li, J, Sudhof, T, Skiniotis, G, Arac, D.
登録日2018-03-06
公開日2018-07-25
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural Basis for Teneurin Function in Circuit-Wiring: A Toxin Motif at the Synapse.
Cell, 173, 2018
4L5G
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BU of 4l5g by Molmil
Crystal structure of Thermus thermophilus CarD
分子名称: CarD
著者Srivastava, D.B, Westblade, L.F, Campbell, E.A, Darst, S.A.
登録日2013-06-11
公開日2013-07-31
最終更新日2013-08-21
実験手法X-RAY DIFFRACTION (2.3902 Å)
主引用文献Structure and function of CarD, an essential mycobacterial transcription factor.
Proc.Natl.Acad.Sci.USA, 110, 2013
6VSW
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BU of 6vsw by Molmil
Optimization and biological evaluation of thiazole-bis-amide inverse agonists of RORgt
分子名称: 5-(2,3-dichloro-4-{[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl}phenyl)-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide, RAR-related orphan receptor C
著者Spurlino, J, Milligan, C.
登録日2020-02-12
公開日2020-05-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.202 Å)
主引用文献Optimization and biological evaluation of thiazole-bis-amide inverse agonists of ROR gamma t.
Bioorg.Med.Chem.Lett., 30, 2020
3C0O
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BU of 3c0o by Molmil
Crystal structure of the proaerolysin mutant Y221G complexed with mannose-6-phosphate
分子名称: 6-O-phosphono-alpha-D-mannopyranose, ACETATE ION, Aerolysin
著者Pernot, L, Schiltz, M, Thurnheer, S, Burr, S.E, van der Goot, G.
登録日2008-01-21
公開日2008-02-12
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Molecular assembly of the aerolysin pore reveals a swirling membrane-insertion mechanism.
Nat.Chem.Biol., 9, 2013
3C0M
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BU of 3c0m by Molmil
Crystal structure of the proaerolysin mutant Y221G
分子名称: Aerolysin
著者Pernot, L, Schiltz, M, Thurnheer, S, Burr, S.E, van der Goot, G.
登録日2008-01-21
公開日2008-02-12
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Molecular assembly of the aerolysin pore reveals a swirling membrane-insertion mechanism.
Nat.Chem.Biol., 9, 2013
6NAD
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BU of 6nad by Molmil
Identification and biological evaluation of tertiary ALCOHOL-based inverse agonists of RORgt
分子名称: (S)-(4-chloro-2-methoxy-3-{[4-(trifluoromethyl)piperidin-1-yl]methyl}quinolin-6-yl)(1,2-dimethyl-1H-imidazol-5-yl)[2-(trifluoromethyl)pyridin-4-yl]methanol, Nuclear receptor ROR-gamma
著者Spurlino, J, Milligan, C.
登録日2018-12-05
公開日2019-05-08
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.90197086 Å)
主引用文献3-Substituted Quinolines as ROR gamma t Inverse Agonists.
Bioorg.Med.Chem.Lett., 29, 2019
5UE3
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BU of 5ue3 by Molmil
proMMP-9desFnII
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Matrix metalloproteinase-9, ...
著者Alexander, R.S, Spurlino, J, Milligan, C.
登録日2016-12-29
公開日2017-09-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.599 Å)
主引用文献Discovery of a highly selective chemical inhibitor of matrix metalloproteinase-9 (MMP-9) that allosterically inhibits zymogen activation.
J. Biol. Chem., 292, 2017
5UE4
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proMMP-9desFnII complexed to JNJ0966 INHIBITOR
分子名称: CALCIUM ION, Matrix metalloproteinase-9, SULFATE ION, ...
著者Alexander, R.S, Spurlino, J, Milligan, C.
登録日2016-12-29
公開日2017-09-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of a highly selective chemical inhibitor of matrix metalloproteinase-9 (MMP-9) that allosterically inhibits zymogen activation.
J. Biol. Chem., 292, 2017
5UFR
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BU of 5ufr by Molmil
Structure of RORgt bound to
分子名称: (S)-[4-chloro-2-(dimethylamino)-3-phenylquinolin-6-yl](1-methyl-1H-imidazol-5-yl)(pyridin-4-yl)methanol, Nuclear receptor ROR-gamma
著者Spurlino, J, Abad, M.
登録日2017-01-05
公開日2017-04-05
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.068 Å)
主引用文献Identification and structure activity relationships of quinoline tertiary alcohol modulators of ROR gamma t.
Bioorg. Med. Chem. Lett., 27, 2017
5UFO
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BU of 5ufo by Molmil
Structure of RORgt bound to
分子名称: (S)-{4-chloro-2-methoxy-3-[4-(methylsulfonyl)phenyl]quinolin-6-yl}(1-methyl-1H-imidazol-5-yl)[6-(trifluoromethyl)pyridin-3-yl]methanol, Nuclear receptor ROR-gamma
著者Spurlino, J.
登録日2017-01-05
公開日2017-04-05
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.802 Å)
主引用文献Identification and structure activity relationships of quinoline tertiary alcohol modulators of ROR gamma t.
Bioorg. Med. Chem. Lett., 27, 2017

 

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