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6V55
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BU of 6v55 by Molmil
Full extracellular region of zebrafish Gpr126/Adgrg6
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Adhesion G-protein coupled receptor G6, CALCIUM ION
Authors:Leon, K, Arac, D.
Deposit date:2019-12-03
Release date:2020-01-15
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Structural basis for adhesion G protein-coupled receptor Gpr126 function.
Nat Commun, 11, 2020
7KKL
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BU of 7kkl by Molmil
SARS-CoV-2 Spike in complex with neutralizing nanobody mNb6
Descriptor: 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, ...
Authors: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
Deposit date:2020-10-27
Release date:2020-11-11
Last modified:2021-04-21
Method:ELECTRON MICROSCOPY (2.85 Å)
Cite:An ultrapotent synthetic nanobody neutralizes SARS-CoV-2 by stabilizing inactive Spike.
Science, 370, 2020
7KKK
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BU of 7kkk by Molmil
SARS-CoV-2 Spike in complex with neutralizing nanobody Nb6
Descriptor: 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, ...
Authors: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
Deposit date:2020-10-27
Release date:2020-11-11
Last modified:2021-04-21
Method:ELECTRON MICROSCOPY (3.03 Å)
Cite:An ultrapotent synthetic nanobody neutralizes SARS-CoV-2 by stabilizing inactive Spike.
Science, 370, 2020
7KKJ
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BU of 7kkj by Molmil
Structure of anti-SARS-CoV-2 Spike nanobody mNb6
Descriptor: CHLORIDE ION, SULFATE ION, Synthetic nanobody mNb6
Authors: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
Deposit date:2020-10-27
Release date:2020-11-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:An ultrapotent synthetic nanobody neutralizes SARS-CoV-2 by stabilizing inactive Spike.
Science, 370, 2020
4GZZ
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BU of 4gzz by Molmil
Crystal structures of bacterial RNA Polymerase paused elongation complexes
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Weixlbaumer, A, Leon, K, Landick, R, Darst, S.A.
Deposit date:2012-09-06
Release date:2013-02-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (4.2927 Å)
Cite:Structural basis of transcriptional pausing in bacteria.
Cell(Cambridge,Mass.), 152, 2013
4GZY
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BU of 4gzy by Molmil
Crystal structures of bacterial RNA Polymerase paused elongation complexes
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Weixlbaumer, A, Leon, K, Landick, R, Darst, S.A.
Deposit date:2012-09-06
Release date:2013-02-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.5054 Å)
Cite: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
Descriptor: GLUTATHIONE, GST2 gene product, SULFATE ION
Authors:Agianian, B, Tucker, P.A, Schouten, A, Leonard, K, Bullard, B, Gros, P.
Deposit date:2002-06-14
Release date:2003-02-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.75 Å)
Cite: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
5VT0
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BU of 5vt0 by Molmil
Escherichia coli 6S RNA derivative in complex with Escherichia coli RNA polymerase sigma70-holoenzyme
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Chen, J, Darst, S.A.
Deposit date:2017-05-15
Release date:2017-11-01
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.78 Å)
Cite:6S RNA Mimics B-Form DNA to Regulate Escherichia coli RNA Polymerase.
Mol. Cell, 68, 2017
8EM3
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BU of 8em3 by Molmil
Carbonic Anhydrase II in complex with the diaryl urea molecule J2
Descriptor: 4-[(3-methoxyphenyl)carbamamido]benzene-1-sulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Combs, J, McKenna, R.
Deposit date:2022-09-26
Release date:2023-09-27
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Prospective Diaryl urea: Prevent growth of breast cancer cells by inhibition and down-regulation of Carbonic Anhydrase IX.
To Be Published
6VHH
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BU of 6vhh by Molmil
Human Teneurin-2 and human Latrophilin-3 binary complex
Descriptor: 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, ...
Authors:Xie, Y, Li, J, Arac, D, Zhao, M.
Deposit date:2020-01-09
Release date:2020-06-03
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:Alternative splicing controls teneurin-latrophilin interaction and synapse specificity by a shape-shifting mechanism.
Nat Commun, 11, 2020
8DJG
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BU of 8djg by Molmil
ADGRL3-lectin domain in complex with an activating synthetic antibody fragment
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Isoform 2 of Adhesion G protein-coupled receptor L3, ...
Authors:Kordon, S.P, Bandekar, S.J, Arac, D.
Deposit date:2022-06-30
Release date:2023-02-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Isoform- and ligand-specific modulation of the adhesion GPCR ADGRL3/Latrophilin3 by a synthetic binder.
Nat Commun, 14, 2023
4XLS
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BU of 4xls by Molmil
Crystal structure of T. aquaticus transcription initiation complex with CarD containing upstream fork promoter.
Descriptor: 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'), ...
Authors:Bae, B, Darst, S.A.
Deposit date:2015-01-13
Release date:2015-09-23
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (4.01 Å)
Cite: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
Descriptor: CarD-like transcriptional regulator, DNA (48-MER), DNA-directed RNA polymerase subunit alpha, ...
Authors:Bae, B, Darst, S.A.
Deposit date:2015-01-13
Release date:2015-09-23
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (4.3 Å)
Cite:CarD uses a minor groove wedge mechanism to stabilize the RNA polymerase open promoter complex.
Elife, 4, 2015
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
Descriptor: 1,2-ETHANEDIOL, CarD, DNA-directed RNA polymerase subunit beta domain 1
Authors:Chen, J, Bae, B, Campbell, E.A, Darst, S.A.
Deposit date:2014-12-15
Release date:2015-09-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.404 Å)
Cite: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
Descriptor: 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, ...
Authors:Salzman, G.S, Ding, C, Koide, S, Arac, D.
Deposit date:2016-07-14
Release date:2016-09-28
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.449 Å)
Cite:Structural Basis for Regulation of GPR56/ADGRG1 by Its Alternatively Spliced Extracellular Domains.
Neuron, 91, 2016
6CMX
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BU of 6cmx by Molmil
Human Teneurin 2 extra-cellular region
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Teneurin-2, alpha-D-mannopyranose, ...
Authors:Shalev-Benami, M, Li, J, Sudhof, T, Skiniotis, G, Arac, D.
Deposit date:2018-03-06
Release date:2018-07-25
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite: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
Descriptor: CarD
Authors:Srivastava, D.B, Westblade, L.F, Campbell, E.A, Darst, S.A.
Deposit date:2013-06-11
Release date:2013-07-31
Last modified:2013-08-21
Method:X-RAY DIFFRACTION (2.3902 Å)
Cite: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
Descriptor: 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
Authors:Spurlino, J, Milligan, C.
Deposit date:2020-02-12
Release date:2020-05-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.202 Å)
Cite:Optimization and biological evaluation of thiazole-bis-amide inverse agonists of ROR gamma t.
Bioorg.Med.Chem.Lett., 30, 2020
6NAD
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BU of 6nad by Molmil
Identification and biological evaluation of tertiary ALCOHOL-based inverse agonists of RORgt
Descriptor: (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
Authors:Spurlino, J, Milligan, C.
Deposit date:2018-12-05
Release date:2019-05-08
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.90197086 Å)
Cite:3-Substituted Quinolines as ROR gamma t Inverse Agonists.
Bioorg.Med.Chem.Lett., 29, 2019
5UE4
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BU of 5ue4 by Molmil
proMMP-9desFnII complexed to JNJ0966 INHIBITOR
Descriptor: CALCIUM ION, Matrix metalloproteinase-9, SULFATE ION, ...
Authors:Alexander, R.S, Spurlino, J, Milligan, C.
Deposit date:2016-12-29
Release date:2017-09-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of a highly selective chemical inhibitor of matrix metalloproteinase-9 (MMP-9) that allosterically inhibits zymogen activation.
J. Biol. Chem., 292, 2017
5UE3
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BU of 5ue3 by Molmil
proMMP-9desFnII
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Matrix metalloproteinase-9, ...
Authors:Alexander, R.S, Spurlino, J, Milligan, C.
Deposit date:2016-12-29
Release date:2017-09-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.599 Å)
Cite:Discovery of a highly selective chemical inhibitor of matrix metalloproteinase-9 (MMP-9) that allosterically inhibits zymogen activation.
J. Biol. Chem., 292, 2017
5IGM
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BU of 5igm by Molmil
Crystal structure of the bromodomain of human BRD9 in complex with bromosporine (BSP)
Descriptor: Bromodomain-containing protein 9, Bromosporine
Authors:Tallant, C, Filippakopoulos, P, Picaud, S, Nunez-Alonso, G, von Delft, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2016-02-28
Release date:2016-10-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Promiscuous targeting of bromodomains by bromosporine identifies BET proteins as master regulators of primary transcription response in leukemia.
Sci Adv, 2, 2016
5IGL
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BU of 5igl by Molmil
Crystal structure of the second bromodomain of human TAF1L in complex with bromosporine (BSP)
Descriptor: Bromosporine, Transcription initiation factor TFIID subunit 1-like
Authors:Filippakopoulos, P, Picaud, S, Felletar, I, Krojer, T, Tallant, C, von Delft, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2016-02-28
Release date:2016-10-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Promiscuous targeting of bromodomains by bromosporine identifies BET proteins as master regulators of primary transcription response in leukemia.
Sci Adv, 2, 2016
5IGK
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BU of 5igk by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with bromosporine (BSP)
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, Bromosporine
Authors:Filippakopoulos, P, Picaud, S, Felletar, I, von Delft, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2016-02-28
Release date:2016-10-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Promiscuous targeting of bromodomains by bromosporine identifies BET proteins as master regulators of primary transcription response in leukemia.
Sci Adv, 2, 2016
5UFO
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BU of 5ufo by Molmil
Structure of RORgt bound to
Descriptor: (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
Authors:Spurlino, J.
Deposit date:2017-01-05
Release date:2017-04-05
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.802 Å)
Cite:Identification and structure activity relationships of quinoline tertiary alcohol modulators of ROR gamma t.
Bioorg. Med. Chem. Lett., 27, 2017

 

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