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7TXK
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BU of 7txk by Molmil
Crystal structure of EgtU solute binding domain from Streptococcus pneumoniae D39 in complex with L-ergothioneine
Descriptor: 1,2-ETHANEDIOL, Choline transporter (Glycine betaine transport system permease protein), SULFATE ION, ...
Authors:Zhang, Y, Gonzalez-Gutierrez, G, Giedroc, D.P.
Deposit date:2022-02-09
Release date:2022-12-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Discovery and structure of a widespread bacterial ABC transporter specific for ergothioneine.
Nat Commun, 13, 2022
6WAF
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BU of 6waf by Molmil
Crystal Structure of SmcR N55I from Vibrio vulnificus
Descriptor: LuxR family transcriptional regulator, SULFATE ION
Authors:Newman, J.D, Russell, M.M, Gonzalez-Gutierrez, G, van Kessel, J.C.
Deposit date:2020-03-25
Release date:2020-06-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.381 Å)
Cite:The DNA binding domain of the Vibrio vulnificus SmcR transcription factor is flexible and binds diverse DNA sequences.
Nucleic Acids Res., 49, 2021
6WAH
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BU of 6wah by Molmil
Crystal Structure of SmcR L139R from Vibrio vulnificus
Descriptor: 1,2-ETHANEDIOL, LuxR family transcriptional regulator, SULFATE ION
Authors:Newman, J.D, Russell, M.M, Gonzalez-Gutierrez, G, van Kessel, J.C.
Deposit date:2020-03-25
Release date:2020-06-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:The DNA binding domain of the Vibrio vulnificus SmcR transcription factor is flexible and binds diverse DNA sequences.
Nucleic Acids Res., 49, 2021
6WAE
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BU of 6wae by Molmil
Crystal Structure of 6X-His tagged SmcR
Descriptor: 1,2-ETHANEDIOL, LuxR family transcriptional regulator, SULFATE ION
Authors:Newman, J.D, Russell, M.M, Gonzalez-Gutierrez, G, van Kessel, J.C.
Deposit date:2020-03-25
Release date:2020-06-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:The DNA binding domain of the Vibrio vulnificus SmcR transcription factor is flexible and binds diverse DNA sequences.
Nucleic Acids Res., 49, 2021
6WAG
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BU of 6wag by Molmil
Crystal Structure of SmcR S76A from Vibrio Vulnificus
Descriptor: 1,2-ETHANEDIOL, LuxR family transcriptional regulator, SULFATE ION
Authors:Newman, J.D, Russell, M.M, Gonzalez-Gutierrez, G, van Kessel, J.C.
Deposit date:2020-03-25
Release date:2020-06-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.575 Å)
Cite:The DNA binding domain of the Vibrio vulnificus SmcR transcription factor is flexible and binds diverse DNA sequences.
Nucleic Acids Res., 49, 2021
6WAI
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BU of 6wai by Molmil
Crystal Structure of SmcR N142D from Vibrio vulnificus
Descriptor: 1,2-ETHANEDIOL, LuxR family transcriptional regulator, SULFATE ION
Authors:Newman, J.D, Russell, M.M, Gonzalez-Gutierrez, G, van Kessel, J.C.
Deposit date:2020-03-25
Release date:2020-06-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.583 Å)
Cite:The DNA binding domain of the Vibrio vulnificus SmcR transcription factor is flexible and binds diverse DNA sequences.
Nucleic Acids Res., 49, 2021
7T2L
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BU of 7t2l by Molmil
Crystal Structure of TEAD2 in a covalent complex with TED-662
Descriptor: (3aR,4R,7aS)-4-[3-(trifluoromethyl)anilino]octahydro-2H-isoindole-2-carbonitrile, Transcriptional enhancer factor TEF-4
Authors:Bum-Erdene, K, Gonzalez-Gutierrez, G, Meroueh, S.O.
Deposit date:2021-12-05
Release date:2023-06-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Small-Molecule Cyanamide Pan-TEAD·YAP1 Covalent Antagonists.
J.Med.Chem., 66, 2023
7T2K
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BU of 7t2k by Molmil
Crystal Structure of TEAD2 in a covalent complex with TED-661
Descriptor: 4-[2-(trifluoromethyl)anilino]-1,3-dihydro-2H-isoindole-2-carbonitrile, Transcriptional enhancer factor TEF-4
Authors:Bum-Erdene, K, Gonzalez-Gutierrez, G, Meroueh, S.O.
Deposit date:2021-12-05
Release date:2023-06-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Small-Molecule Cyanamide Pan-TEAD·YAP1 Covalent Antagonists.
J.Med.Chem., 66, 2023
7T2J
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BU of 7t2j by Molmil
Crystal Structure of TEAD2 in a covalent complex with TED-642
Descriptor: 4-[3-(trifluoromethyl)anilino]-1,3-dihydro-2H-isoindole-2-carbonitrile, Transcriptional enhancer factor TEF-4
Authors:Bum-Erdene, K, Gonzalez-Gutierrez, G, Meroueh, S.O.
Deposit date:2021-12-05
Release date:2023-06-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Small-Molecule Cyanamide Pan-TEAD·YAP1 Covalent Antagonists.
J.Med.Chem., 66, 2023
7T2M
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BU of 7t2m by Molmil
Crystal Structure of TEAD2 in a covalent complex with TED-664
Descriptor: (3aR,4R,7aS)-4-[2-(trifluoromethyl)anilino]octahydro-2H-isoindole-2-carbonitrile, Transcriptional enhancer factor TEF-4
Authors:Bum-Erdene, K, Gonzalez-Gutierrez, G, Meroueh, S.O.
Deposit date:2021-12-05
Release date:2023-06-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Small-Molecule Cyanamide Pan-TEAD·YAP1 Covalent Antagonists.
J.Med.Chem., 66, 2023
6O8O
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BU of 6o8o by Molmil
Crystal Structure of C9S disulfide state of Sulfide-responsive transcriptional repressor (SqrR) from Rhodobacter capsulatus.
Descriptor: CHLORIDE ION, SULFATE ION, Transcriptional regulator, ...
Authors:Capdevila, D.A, Gonzalez-Gutierrez, G, Giedroc, D.P.
Deposit date:2019-03-11
Release date:2020-04-01
Last modified:2020-12-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for persulfide-sensing specificity in a transcriptional regulator.
Nat.Chem.Biol., 17, 2021
6O8K
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BU of 6o8k by Molmil
Crystal Structure of apo and reduced Sulfide-responsive transcriptional repressor (SqrR) from Rhodobacter capsulatus.
Descriptor: GLYCEROL, SULFATE ION, Transcriptional regulator, ...
Authors:Capdevila, D.A, Gonzalez-Gutierrez, G, Giedroc, D.P.
Deposit date:2019-03-11
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structural basis for persulfide-sensing specificity in a transcriptional regulator.
Nat.Chem.Biol., 17, 2021
6O8M
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BU of 6o8m by Molmil
Crystal Structure of C9S apo Sulfide-responsive transcriptional repressor (SqrR) from Rhodobacter capsulated bound to diamide (tetramethylazodicarboxamide).
Descriptor: N~1~,N~1~,N~2~,N~2~-tetramethylhydrazine-1,2-dicarboxamide, Transcriptional regulator, ArsR family
Authors:Capdevila, D.A, Gonzalez-Gutierrez, G, Giedroc, D.P.
Deposit date:2019-03-11
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Structural basis for persulfide-sensing specificity in a transcriptional regulator.
Nat.Chem.Biol., 17, 2021
6O8N
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BU of 6o8n by Molmil
Crystal Structure of C9S tetrasulfide state of Sulfide-responsive transcriptional repressor (SqrR) from Rhodobacter capsulatus.
Descriptor: SULFATE ION, Transcriptional regulator, ArsR family
Authors:Capdevila, D.A, Gonzalez-Gutierrez, G, Giedroc, D.P.
Deposit date:2019-03-11
Release date:2020-04-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural basis for persulfide-sensing specificity in a transcriptional regulator.
Nat.Chem.Biol., 17, 2021
6PHJ
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BU of 6phj by Molmil
Crystal structure of native glucagon in space group P213 at 1.99 A resolution
Descriptor: Glucagon
Authors:Mroz, P.A, Gonzalez-Gutierrez, G, DiMarchi, R.D.
Deposit date:2019-06-25
Release date:2020-07-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:High resolution X-ray structure of glucagon and selected stereo-inversed analogs in novel crystallographic packing arrangement.
To Be Published
6PHO
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BU of 6pho by Molmil
Crystal structure of glucagon analog with selenomethionine substitutions at position 1 and 27 in space group I41 at 1.42 A resolution
Descriptor: Glucagon
Authors:Mroz, P.A, Gonzalez-Gutierrez, G, DiMarchi, R.D.
Deposit date:2019-06-25
Release date:2020-07-01
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:High resolution X-ray structure of glucagon and selected stereo-inversed analogs in novel crystallographic packing arrangement.
To Be Published
6P0J
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BU of 6p0j by Molmil
Crystal structure of GDP-bound human RalA
Descriptor: CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, Ras-related protein Ral-A
Authors:Bum-Erdene, K, Gonzalez-Gutierrez, G, Liu, D, Meroueh, S.O.
Deposit date:2019-05-17
Release date:2020-03-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Small-molecule covalent bond formation at tyrosine creates a binding site and inhibits activation of Ral GTPases.
Proc.Natl.Acad.Sci.USA, 117, 2020
6PHK
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BU of 6phk by Molmil
Crystal structure of glucagon analog with mono-stereoinversion at position 21 (D-Asp21) in space group I41 at 1.18 A resolution
Descriptor: Glucagon
Authors:Mroz, P.A, Gonzalez-Gutierrez, G, DiMarchi, R.D.
Deposit date:2019-06-25
Release date:2020-07-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:High resolution X-ray structure of glucagon and selected stereo-inversed analogs in novel crystallographic packing arrangement.
To Be Published
6PHP
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BU of 6php by Molmil
Crystal structure of glucagon analog with 4-bromo-phenylalanine substitutions at position 6 and 22 in space group I41 at 1.65 A resolution
Descriptor: Glucagon
Authors:Mroz, P.A, Gonzalez-Gutierrez, G, DiMarchi, R.D.
Deposit date:2019-06-25
Release date:2020-07-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:High resolution X-ray structure of glucagon and selected stereo-inversed analogs in novel crystallographic packing arrangement.
To Be Published
6PHN
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BU of 6phn by Molmil
Crystal structure of glucagon analog composed of D-amino acids with mono-stereoinversion at position 23 (L-Val23) in space group I41 at 1.33 A resolution
Descriptor: D-glucagon L-Val23, SODIUM ION
Authors:Mroz, P.A, Gonzalez-Gutierrez, G, DiMarchi, R.D.
Deposit date:2019-06-25
Release date:2020-07-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:High resolution X-ray structure of glucagon and selected stereo-inversed analogs in novel crystallographic packing arrangement.
To Be Published
6PHL
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BU of 6phl by Molmil
Crystal structure of glucagon analog with mono-stereoinversion at position 23 (D-Val23) in space group I41 at 1.44 A resolution
Descriptor: Glucagon
Authors:Mroz, P.A, Gonzalez-Gutierrez, G, DiMarchi, R.D.
Deposit date:2019-06-25
Release date:2020-07-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.443 Å)
Cite:High resolution X-ray structure of glucagon and selected stereo-inversed analogs in novel crystallographic packing arrangement.
To Be Published
6PHQ
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BU of 6phq by Molmil
Crystal structure of glucagon analog fully composed of D-amino acids with 4-bromo-D-phenylalanine substitutions at position 6 and 22 in space group I41 at 1.1 A resolution
Descriptor: D-glucagon D-BrPhe 6,22
Authors:Mroz, P.A, Gonzalez-Gutierrez, G, DiMarchi, R.D.
Deposit date:2019-06-25
Release date:2020-07-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:High resolution X-ray structure of glucagon and selected stereo-inversed analogs in novel crystallographic packing arrangement.
To Be Published
6PHI
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BU of 6phi by Molmil
Crystal structure of native glucagon in space group I41 at 1.1 A resolution
Descriptor: CHLORIDE ION, Glucagon
Authors:Mroz, P.A, Gonzalez-Gutierrez, G, DiMarchi, R.D.
Deposit date:2019-06-25
Release date:2020-07-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:High resolution X-ray structure of glucagon and selected stereo-inversed analogs in novel crystallographic packing arrangement.
To Be Published
6PHM
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BU of 6phm by Molmil
Crystal structure of glucagon analog fully composed of D-amino acids in space group I41 at 1.1 A resolution
Descriptor: D-glucagon, SULFATE ION
Authors:Mroz, P.A, Gonzalez-Gutierrez, G, DiMarchi, R.D.
Deposit date:2019-06-25
Release date:2020-07-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:High resolution X-ray structure of glucagon and selected stereo-inversed analogs in novel crystallographic packing arrangement.
To Be Published
6P0K
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BU of 6p0k by Molmil
Crystal structure of GDP-bound human RalA in a covalent complex with aryl sulfonyl fluoride compounds.
Descriptor: 4-[(6-chloropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid, CALCIUM ION, CHLORIDE ION, ...
Authors:Bum-Erdene, K, Gonzalez-Gutierrez, G, Liu, D, Ghozayel, M.K, Xu, D, Meroueh, S.O.
Deposit date:2019-05-17
Release date:2020-03-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Small-molecule covalent bond formation at tyrosine creates a binding site and inhibits activation of Ral GTPases.
Proc.Natl.Acad.Sci.USA, 117, 2020

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