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PDB: 43 results

2XWT
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BU of 2xwt by Molmil
CRYSTAL STRUCTURE OF THE TSH RECEPTOR IN COMPLEX WITH A BLOCKING TYPE TSHR AUTOANTIBODY
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, THYROID BLOCKING HUMAN AUTOANTIBODY K1-70 HEAVY CHAIN, ...
Authors:Sanders, J, Sanders, P, Young, S, Kabelis, K, Baker, S, Sullivan, A, Evans, M, Clark, J, Wilmot, J, Hu, X, Roberts, E, Powell, M, Nunez Miguel, R, Furmaniak, J, Rees Smith, B.
Deposit date:2010-11-05
Release date:2011-03-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of the Tsh Receptor (Tshr) Bound to a Blocking-Type Tshr Autoantibody.
J.Mol.Endocrinol., 46, 2011
3G04
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Crystal structure of the TSH receptor in complex with a thyroid-stimulating autoantibody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, HUMAN THYROID STIMULATING AUTOANTIBODY M22 HEAVY CHAIN, HUMAN THYROID STIMULATING AUTOANTIBODY M22 LIGHT CHAIN, ...
Authors:Sanders, J, Chirgadze, D.Y, Sanders, P, Baker, S, Sullivan, A, Bhardwaja, A, Bolton, J, Reeve, M, Nakatake, N, Evans, M, Richards, T, Powell, M, Miguel, R.N, Blundell, T.L, Furmaniak, J, Smith, B.R.
Deposit date:2009-01-27
Release date:2009-08-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal structure of the TSH receptor in complex with a thyroid-stimulating autoantibody
Thyroid, 17, 2007
5VCM
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Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase with bound UDP and Manganese
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase, ...
Authors:Sanders, J.H, Kadirvelraj, R, Wood, Z.A.
Deposit date:2017-03-31
Release date:2018-04-11
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.599 Å)
Cite:HumanN-acetylglucosaminyltransferase II substrate recognition uses a modular architecture that includes a convergent exosite.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5VCR
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BU of 5vcr by Molmil
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase with bound uranium dioxide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase, CHLORIDE ION, ...
Authors:Sanders, J.H, Kadirvelraj, R, Wood, Z.A.
Deposit date:2017-03-31
Release date:2018-04-11
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.992 Å)
Cite:HumanN-acetylglucosaminyltransferase II substrate recognition uses a modular architecture that includes a convergent exosite.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5VCS
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BU of 5vcs by Molmil
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase with Bound Acceptor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase, ...
Authors:Sanders, J.H, Kadirvelraj, R, Wood, Z.A.
Deposit date:2017-03-31
Release date:2018-04-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.799 Å)
Cite:HumanN-acetylglucosaminyltransferase II substrate recognition uses a modular architecture that includes a convergent exosite.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4K8I
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BU of 4k8i by Molmil
Crystal Structure of Staphylococcal Nuclease mutant I92V/V99L
Descriptor: Thermonuclease
Authors:Sanders, J.M, Latimer, E.C, Roeser, J.R, Janowska, K, Sakon, J, Stites, W.E.
Deposit date:2013-04-18
Release date:2013-05-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Hydrophobic core mutants of Staphylococcal nuclease
To be Published
4K8J
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BU of 4k8j by Molmil
Crystal Structure of Staphylococcal nuclease mutant V23L/V66I
Descriptor: Thermonuclease
Authors:Sanders, J.M, Gill, E, Roeser, J.R, Janowska, K, Sakon, J, Stites, W.E.
Deposit date:2013-04-18
Release date:2013-05-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Hydrophobic core mutants of Staphylococcal nuclease
To be Published
4H7B
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BU of 4h7b by Molmil
Crystal Structure of Staphylococcal nuclease mutant I72V/V99L
Descriptor: Thermonuclease
Authors:Sanders, J.M, Janowska, K, Sakon, J, Stites, W.E.
Deposit date:2012-09-20
Release date:2012-10-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Hydrophobic core mutants of Staphylococcal nuclease
To be Published
7S3T
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BU of 7s3t by Molmil
NzeB Diketopiperazine Dimerase Mutant: Q68I-G87A-A89G-I90V
Descriptor: (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
Authors:Harris, N.R, Shende, V.V, Sanders, J.N, Newmister, S.A, Khatri, Y, Movassaghi, M, Houk, K.N, Sherman, D.H.
Deposit date:2021-09-08
Release date:2022-10-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Molecular Dynamics Simulations Guide Chimeragenesis and Engineered Control of Chemoselectivity in Diketopiperazine Dimerases.
Angew.Chem.Int.Ed.Engl., 2023
4XUC
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BU of 4xuc by Molmil
Synthesis and evaluation of heterocyclic catechol mimics as inhibitors of catechol-O-methyltransferase (COMT): Structure with Cmpd18 (1-(biphenyl-3-yl)-3-hydroxypyridin-4(1H)-one)
Descriptor: 1-(biphenyl-3-yl)-3-hydroxypyridin-4(1H)-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Catechol O-methyltransferase, ...
Authors:Allison, T, Wolkenberg, S, Sanders, J.M, Soisson, S.M.
Deposit date:2015-01-25
Release date:2015-04-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Synthesis and Evaluation of Heterocyclic Catechol Mimics as Inhibitors of Catechol-O-methyltransferase (COMT).
Acs Med.Chem.Lett., 6, 2015
4XUD
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BU of 4xud by Molmil
Synthesis and evaluation of heterocyclic catechol mimics as inhibitors of catechol-O-methyltransferase (COMT): Structure with Cmpd32 ([1-(biphenyl-3-yl)-5-hydroxy-4-oxo-1,4-dihydropyridin-3-yl]boronic acid)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Catechol O-methyltransferase, MAGNESIUM ION, ...
Authors:Allison, T, Wolkenberg, S, Sanders, J.M, Soisson, S.M.
Deposit date:2015-01-25
Release date:2015-04-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Synthesis and Evaluation of Heterocyclic Catechol Mimics as Inhibitors of Catechol-O-methyltransferase (COMT).
Acs Med.Chem.Lett., 6, 2015
4XUE
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BU of 4xue by Molmil
Synthesis and evaluation of heterocyclic catechol mimics as inhibitors of catechol-O-methyltransferase (COMT): Structure with Cmpd27b
Descriptor: 2-(biphenyl-3-yl)-5-hydroxy-3-methylpyrimidin-4(3H)-one, Catechol O-methyltransferase, MAGNESIUM ION, ...
Authors:Allison, T, Wolkenberg, S, Sanders, J.M, Soisson, S.M.
Deposit date:2015-01-25
Release date:2015-04-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Synthesis and Evaluation of Heterocyclic Catechol Mimics as Inhibitors of Catechol-O-methyltransferase (COMT).
Acs Med.Chem.Lett., 6, 2015
6XAI
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BU of 6xai by Molmil
Crystal structure of NzeB in complex with cyclo-(L-Trp-L-Pro)
Descriptor: (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, 1,2-ETHANEDIOL, NzeB, ...
Authors:Shende, V.V, Khatri, Y, Newmister, S.A, Sanders, J.N, Lindovska, P, Yu, F, Doyon, T.J, Kim, J, Movassaghi, M, Houk, K.N, Sherman, D.H.
Deposit date:2020-06-04
Release date:2021-06-09
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.489 Å)
Cite:Structure and Function of NzeB, a Versatile C-C and C-N Bond-Forming Diketopiperazine Dimerase.
J.Am.Chem.Soc., 142, 2020
6XAL
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BU of 6xal by Molmil
Crystal structure of NzeB in complex with cyclo-(L-Trp-L-Val)
Descriptor: (3S,6S)-3-[(1H-indol-3-yl)methyl]-6-(propan-2-yl)piperazine-2,5-dione, NzeB, PROTOPORPHYRIN IX CONTAINING FE
Authors:Shende, V.V, Khatri, Y, Newmister, S.A, Sanders, J.N, Lindovska, P, Yu, F, Doyon, T.J, Kim, J, Movassaghi, M, Houk, K.N, Sherman, D.H.
Deposit date:2020-06-04
Release date:2021-06-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.349 Å)
Cite:Structure and Function of NzeB, a Versatile C-C and C-N Bond-Forming Diketopiperazine Dimerase.
J.Am.Chem.Soc., 142, 2020
6XAK
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BU of 6xak by Molmil
Crystal structure of NzeB in complex with cyclo-(L-Trp-L-Pro) and cyclo-(L-Trp-L-Trp)
Descriptor: (3S,6S)-3,6-bis[(1H-indol-3-yl)methyl]piperazine-2,5-dione, (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, 1,2-ETHANEDIOL, ...
Authors:Shende, V.V, Khatri, Y, Newmister, S.A, Sanders, J.N, Lindovska, P, Yu, F, Doyon, T.J, Kim, J, Movassaghi, M, Houk, K.N, Sherman, D.H.
Deposit date:2020-06-04
Release date:2021-06-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.479 Å)
Cite:Structure and Function of NzeB, a Versatile C-C and C-N Bond-Forming Diketopiperazine Dimerase.
J.Am.Chem.Soc., 142, 2020
6XAM
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BU of 6xam by Molmil
Crystal structure of NzeB in complex with cyclo-(L-Trp-L-homoalanine)
Descriptor: (3S,6S)-3-ethyl-6-[(1H-indol-3-yl)methyl]piperazine-2,5-dione, 1,2-ETHANEDIOL, NzeB, ...
Authors:Shende, V.V, Khatri, Y, Newmister, S.A, Sanders, J.N, Lindovska, P, Yu, F, Doyon, T.J, Kim, J, Movassaghi, M, Houk, K.N, Sherman, D.H.
Deposit date:2020-06-04
Release date:2021-06-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.481 Å)
Cite:Structure and Function of NzeB, a Versatile C-C and C-N Bond-Forming Diketopiperazine Dimerase.
J.Am.Chem.Soc., 142, 2020
6XAJ
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BU of 6xaj by Molmil
Crystal structure of NzeB
Descriptor: 1,2-ETHANEDIOL, NzeB, PROTOPORPHYRIN IX CONTAINING FE
Authors:Shende, V.V, Khatri, Y, Newmister, S.A, Sanders, J.N, Lindovska, P, Yu, F, Doyon, T.J, Kim, J, Movassaghi, M, Houk, K.N, Sherman, D.H.
Deposit date:2020-06-04
Release date:2021-06-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.498 Å)
Cite:Structure and Function of NzeB, a Versatile C-C and C-N Bond-Forming Diketopiperazine Dimerase.
J.Am.Chem.Soc., 142, 2020
7S3J
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BU of 7s3j by Molmil
Crystal Structure of AspB P450 in complex with brevianamide F substrates
Descriptor: (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, AspB, GLYCEROL, ...
Authors:Newmister, S.A, Shende, V.V, Harris, N.R, Sanders, J.N, Khatri, Y, Movassaghi, M, Houk, K.N, Sherman, D.H.
Deposit date:2021-09-07
Release date:2022-11-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Molecular Dynamics Simulations Guide Chimeragenesis and Engineered Control of Chemoselectivity in Diketopiperazine Dimerases.
Angew.Chem.Int.Ed.Engl., 62, 2023
4ESX
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BU of 4esx by Molmil
Crystal structure of C. albicans Thi5 complexed with PLP
Descriptor: Pyrimidine biosynthesis enzyme THI13
Authors:Huang, S, Fenwick, M.K, Zhang, Y, Lai, R, Hazra, A, Rajashankar, K, Philmus, B, Kinsland, C, Sanders, J, Begley, T.P, Ealick, S.E.
Deposit date:2012-04-23
Release date:2012-09-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Thiamin pyrimidine biosynthesis in Candida albicans : a remarkable reaction between histidine and pyridoxal phosphate.
J.Am.Chem.Soc., 134, 2012
4ESW
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BU of 4esw by Molmil
Crystal structure of C. albicans Thi5 H66G mutant
Descriptor: CITRIC ACID, Pyrimidine biosynthesis enzyme THI13
Authors:Fenwick, M.K, Huang, S, Zhang, Y, Lai, R, Hazra, A, Rajashankar, K, Philmus, B, Kinsland, C, Sanders, J, Begley, T.P, Ealick, S.E.
Deposit date:2012-04-23
Release date:2012-09-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Thiamin pyrimidine biosynthesis in Candida albicans : a remarkable reaction between histidine and pyridoxal phosphate.
J.Am.Chem.Soc., 134, 2012
5WPP
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BU of 5wpp by Molmil
Crystal structure HpiC1 W73M/K132M
Descriptor: 12-epi-hapalindole C/U synthase, CALCIUM ION, TETRAETHYLENE GLYCOL, ...
Authors:Newmister, S.A, Li, S, Garcia-Borras, M, Sanders, J.N, Yang, S, Lowell, A.N, Yu, F, Smith, J.L, Williams, R.M, Houk, K.N, Sherman, D.H.
Deposit date:2017-08-07
Release date:2018-03-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis.
Nat. Chem. Biol., 14, 2018
6AL7
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BU of 6al7 by Molmil
Crystal structure HpiC1 F138S
Descriptor: 12-epi-hapalindole C/U synthase, CALCIUM ION
Authors:Newmister, S.A, Li, S, Garcia-Borras, M, Sanders, J.N, Yang, S, Lowell, A.N, Yu, F, Smith, J.L, Williams, R.M, Houk, K.N, Sherman, D.H.
Deposit date:2017-08-07
Release date:2018-03-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.687 Å)
Cite:Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis.
Nat. Chem. Biol., 14, 2018
5WPU
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BU of 5wpu by Molmil
Crystal structure HpiC1 Y101S
Descriptor: 12-epi-hapalindole C/U synthase, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION
Authors:Newmister, S.A, Li, S, Garcia-Borras, M, Sanders, J.N, Yang, S, Lowell, A.N, Yu, F, Smith, J.L, Williams, R.M, Houk, K.N, Sherman, D.H.
Deposit date:2017-08-07
Release date:2018-03-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis.
Nat. Chem. Biol., 14, 2018
5WPS
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BU of 5wps by Molmil
Crystal structure HpiC1 Y101F
Descriptor: 1,2-ETHANEDIOL, 12-epi-hapalindole C/U synthase, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Newmister, S.A, Li, S, Garcia-Borras, M, Sanders, J.N, Yang, S, Lowell, A.N, Yu, F, Smith, J.L, Williams, R.M, Houk, K.N, Sherman, D.H.
Deposit date:2017-08-07
Release date:2018-04-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.389 Å)
Cite:Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis.
Nat. Chem. Biol., 14, 2018
5WPR
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BU of 5wpr by Molmil
Crystal structure HpiC1 in C2 space group
Descriptor: 12-epi-hapalindole C/U synthase, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ...
Authors:Newmister, S.A, Li, S, Garcia-Borras, M, Sanders, J.N, Yang, S, Lowell, A.N, Yu, F, Smith, J.L, Williams, R.M, Houk, K.N, Sherman, D.H.
Deposit date:2017-08-07
Release date:2018-03-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis.
Nat. Chem. Biol., 14, 2018

 

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