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8AHH
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BU of 8ahh by Molmil
PAC FragmentDEL: Photoactivated covalent capture of DNA encoded fragments for hit discovery
Descriptor: 5-cyano-~{N}-methyl-pyrazolo[1,5-a]pyridine-3-carboxamide, Serine/threonine-protein kinase PAK 4
Authors:Baker, L.M, Murray, J.B, Hubbard, R.E.
Deposit date:2022-07-21
Release date:2022-09-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.037 Å)
Cite:PAC-FragmentDEL - photoactivated covalent capture of DNA-encoded fragments for hit discovery.
Rsc Med Chem, 13, 2022
8AHG
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BU of 8ahg by Molmil
PAC-FragmentDEL: Photoactivated covalent capture of DNA encoded fragments for hit discovery
Descriptor: Serine/threonine-protein kinase PAK 4, ~{N}-methyl-3-propan-2-yl-1~{H}-pyrazolo[3,4-c]pyridine-4-carboxamide
Authors:Baker, L.M, Murray, J.B, Hubbard, R.E.
Deposit date:2022-07-21
Release date:2022-09-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.885 Å)
Cite:PAC-FragmentDEL - photoactivated covalent capture of DNA-encoded fragments for hit discovery.
Rsc Med Chem, 13, 2022
8AHE
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BU of 8ahe by Molmil
PAC-FragmentDEL: Photoactivated covalent capture of DNA encoded fragments for hit discovery
Descriptor: SULFATE ION, UDP-N-acetylglucosamine 2-epimerase, ~{N},5-dimethyl-1-phenyl-pyrazole-4-sulfonamide
Authors:Baker, L.M, Murray, J.B, Hubbard, R.E.
Deposit date:2022-07-21
Release date:2022-09-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.108 Å)
Cite:PAC-FragmentDEL - photoactivated covalent capture of DNA-encoded fragments for hit discovery.
Rsc Med Chem, 13, 2022
8AHF
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BU of 8ahf by Molmil
PAC-FragmentDEL: Photoactivated covalent capture of DNA encoded fragments for hit discovery
Descriptor: (2~{R},4~{S})-4-[bis(fluoranyl)methoxy]-~{N}-methyl-1-(2~{H}-pyrazolo[4,3-b]pyridin-6-ylcarbonyl)pyrrolidine-2-carboxamide, SULFATE ION, UDP-N-acetylglucosamine 2-epimerase
Authors:Baker, L.M, Murray, J.B, Hubbard, R.E.
Deposit date:2022-07-21
Release date:2022-09-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.271 Å)
Cite:PAC-FragmentDEL - photoactivated covalent capture of DNA-encoded fragments for hit discovery.
Rsc Med Chem, 13, 2022
8AHI
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BU of 8ahi by Molmil
PAC-FragmentDEL: Photoactivated covalent capture of DNA encoded fragments for hit discovery
Descriptor: Serine/threonine-protein kinase PAK 4, ~{N}-methyl-1,3-benzothiazole-6-carboxamide
Authors:Baker, L.M, Murray, J.B, Hubbard, R.E.
Deposit date:2022-07-21
Release date:2022-09-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:PAC-FragmentDEL - photoactivated covalent capture of DNA-encoded fragments for hit discovery.
Rsc Med Chem, 13, 2022
4JYU
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BU of 4jyu by Molmil
Structure of factor VIIA in complex with the inhibitor (2R)-2-[(1-AMINOISOQUINOLIN-6-YL)AMINO]-2-[3-ETHOXY-4-(PROPAN-2-YLOXY)PHENYL]-N-(PHENYLSULFONYL)ETHANAMIDE
Descriptor: (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-N-(phenylsulfonyl)ethanamide, CALCIUM ION, Factor VII heavy chain, ...
Authors:Wei, A, Anumula, R.
Deposit date:2013-04-01
Release date:2013-07-24
Last modified:2013-09-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Nonbenzamidine acylsulfonamide tissue factor-factor VIIa inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4JYV
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BU of 4jyv by Molmil
Structure of factor VIIA in complex with the inhibitor (2R)-2-[3-ETHOXY-4-(PROPAN-2-YLOXY)PHENYL]-2-(ISOQUINOLIN-6-YLAMINO)-N-[(3-SULFAMOYLPHENYL)SULFONYL]ETHANAMIDE
Descriptor: (2R)-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-2-(isoquinolin-6-ylamino)-N-[(3-sulfamoylphenyl)sulfonyl]ethanamide, CALCIUM ION, Factor VII heavy chain, ...
Authors:Wei, A, Anumula, R.
Deposit date:2013-04-01
Release date:2013-07-24
Last modified:2013-09-11
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Nonbenzamidine acylsulfonamide tissue factor-factor VIIa inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
7Y54
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BU of 7y54 by Molmil
Crystal structure of sDscam Ig1 domain, isoform alpha1
Descriptor: Down Syndrome Cell Adhesion Molecules
Authors:Chen, Q, Yu, Y, Cheng, J.
Deposit date:2022-06-16
Release date:2023-05-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.787 Å)
Cite:Structural basis for the self-recognition of sDSCAM in Chelicerata.
Nat Commun, 14, 2023
7Y6O
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BU of 7y6o by Molmil
Crystal structure of sDscam Ig1-3 domains, isoform alpha25
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Down Syndrome Cell Adhesion Molecules
Authors:Chen, Q, Yu, Y, Cheng, J.
Deposit date:2022-06-21
Release date:2023-05-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.102 Å)
Cite:Structural basis for the self-recognition of sDSCAM in Chelicerata.
Nat Commun, 14, 2023
7Y4X
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BU of 7y4x by Molmil
Crystal structure of sDscam Ig1 domain, isoform alpha7
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Down syndrome cell adhesion molecule
Authors:Chen, Q, Yu, Y, Cheng, J.
Deposit date:2022-06-16
Release date:2023-05-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.952 Å)
Cite:Structural basis for the self-recognition of sDSCAM in Chelicerata.
Nat Commun, 14, 2023
7Y5J
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BU of 7y5j by Molmil
Crystal structure of sDscam Ig1 domain, isoform alpha1v7
Descriptor: Down Syndrome Cell Adhesion Molecules
Authors:Chen, Q, Yu, Y, Cheng, J.
Deposit date:2022-06-17
Release date:2023-05-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural basis for the self-recognition of sDSCAM in Chelicerata.
Nat Commun, 14, 2023
7Y9A
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BU of 7y9a by Molmil
Crystal structure of sDscam Ig1-2 domains, isoform beta2v6
Descriptor: Down Syndrome Cell Adhesion Molecules, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-3)][beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Chen, Q, Yu, Y, Cheng, J.
Deposit date:2022-06-24
Release date:2023-05-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Structural basis for the self-recognition of sDSCAM in Chelicerata.
Nat Commun, 14, 2023
7Y5R
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BU of 7y5r by Molmil
Crystal structure of sDscam FNIII2 domain, isoform alpha7
Descriptor: Down Syndrome Cell Adhesion Molecules, GLYCEROL
Authors:Chen, Q, Yu, Y, Cheng, J.
Deposit date:2022-06-17
Release date:2023-05-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.562 Å)
Cite:Structural basis for the self-recognition of sDSCAM in Chelicerata.
Nat Commun, 14, 2023
7Y73
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BU of 7y73 by Molmil
Crystal structure of sDscam Ig1 domain, isoform beta3v7
Descriptor: Down Syndrome Cell Adhesion Molecules, GLYCEROL
Authors:Chen, Q, Yu, Y, Cheng, J.
Deposit date:2022-06-21
Release date:2023-05-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Structural basis for the self-recognition of sDSCAM in Chelicerata.
Nat Commun, 14, 2023
7Y6E
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BU of 7y6e by Molmil
Crystal structure of sDscam FNIII23 domains, isoform Beta2v6
Descriptor: Dscam
Authors:Chen, Q, Yu, Y, Cheng, J.
Deposit date:2022-06-20
Release date:2023-05-24
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (3.034 Å)
Cite:Structural basis for the self-recognition of sDSCAM in Chelicerata.
Nat Commun, 14, 2023
7Y8S
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BU of 7y8s by Molmil
Crystal structure of sDscam FNIII1-3 domains, isoform beta2v6
Descriptor: Dscam, SODIUM ION
Authors:Chen, Q, Yu, Y, Cheng, J.
Deposit date:2022-06-24
Release date:2023-05-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.696 Å)
Cite:Structural basis for the self-recognition of sDSCAM in Chelicerata.
Nat Commun, 14, 2023
7Y8I
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BU of 7y8i by Molmil
Crystal structure of sDscam FNIII3 domain, isoform alpha7
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Dscam, ...
Authors:Chen, Q, Yu, Y, Cheng, J.
Deposit date:2022-06-24
Release date:2023-05-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for the self-recognition of sDSCAM in Chelicerata.
Nat Commun, 14, 2023
7Y95
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BU of 7y95 by Molmil
Crystal structure of sDscam Ig1 domain, isoform beta6v2
Descriptor: Dscam, GLYCEROL, SODIUM ION
Authors:Chen, Q, Yu, Y, Cheng, J.
Deposit date:2022-06-24
Release date:2023-05-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural basis for the self-recognition of sDSCAM in Chelicerata.
Nat Commun, 14, 2023
7Y8H
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BU of 7y8h by Molmil
Crystal structure of sDscam FNIII1 domain, isoform alpha7
Descriptor: Down Syndrome Cell Adhesion Molecules, SULFATE ION
Authors:Chen, Q, Yu, Y, Cheng, J.
Deposit date:2022-06-23
Release date:2023-05-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for the self-recognition of sDSCAM in Chelicerata.
Nat Commun, 14, 2023
4I7F
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BU of 4i7f by Molmil
HIV-1 Reverse Transcriptase in complex with a phosphonate analog of nevirapine
Descriptor: CHLORIDE ION, MAGNESIUM ION, Reverse transcriptase, ...
Authors:Lansdon, E.B, Parrish, J.
Deposit date:2012-11-30
Release date:2013-02-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Synthesis and biological evaluation of phosphonate analogues of nevirapine.
Bioorg.Med.Chem.Lett., 23, 2013
7VZQ
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BU of 7vzq by Molmil
The structure of GdmN V24Y/G157A/R158A/G188R mutant in complex with carbamoyl adenylate intermediate
Descriptor: 1,2-ETHANEDIOL, 5'-O-[(S)-(carbamoyloxy)(hydroxy)phosphoryl]adenosine, CHLORIDE ION, ...
Authors:Wei, J, Zheng, J, Zhou, J, Kang, Q, Bai, L.
Deposit date:2021-11-16
Release date:2022-11-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Endowing homodimeric carbamoyltransferase GdmN with iterative functions through structural characterization and mechanistic studies.
Nat Commun, 13, 2022
7VZU
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BU of 7vzu by Molmil
The structure of GdmN Y82F mutant
Descriptor: 1,2-ETHANEDIOL, FE (III) ION, GdmN, ...
Authors:Wei, J, Zheng, J, Zhou, J, Kang, Q, Bai, L.
Deposit date:2021-11-16
Release date:2022-11-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Endowing homodimeric carbamoyltransferase GdmN with iterative functions through structural characterization and mechanistic studies.
Nat Commun, 13, 2022
7VYP
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BU of 7vyp by Molmil
The structure of GdmN complex with the natural tetrahedral intermediate, carbamoylated derivative, and AMP
Descriptor: 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, FE (III) ION, ...
Authors:Wei, J, Zheng, J, Zhou, J, Kang, Q, Bai, L.
Deposit date:2021-11-15
Release date:2022-11-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Endowing homodimeric carbamoyltransferase GdmN with iterative functions through structural characterization and mechanistic studies.
Nat Commun, 13, 2022
7VZY
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BU of 7vzy by Molmil
The structure of GdmN complex with AMP and 20-O-methyl-19-chloroproansamitocin
Descriptor: (5~{S},6~{E},8~{S},9~{S},12~{R},15~{E})-21-chloranyl-12,20-dimethoxy-6,8,16-trimethyl-5,9-bis(oxidanyl)-2-azabicyclo[16.3.1]docosa-1(21),6,15,18(22),19-pentaene-3,11-dione, 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, ...
Authors:Wei, J, Zheng, J, Zhou, J, Kang, Q, Bai, L.
Deposit date:2021-11-17
Release date:2022-11-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Endowing homodimeric carbamoyltransferase GdmN with iterative functions through structural characterization and mechanistic studies.
Nat Commun, 13, 2022
7VYJ
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BU of 7vyj by Molmil
The structure of GdmN in complex with carbamoyl adenylate intermediate
Descriptor: 1,2-ETHANEDIOL, 5'-O-[(S)-(carbamoyloxy)(hydroxy)phosphoryl]adenosine, DI(HYDROXYETHYL)ETHER, ...
Authors:Wei, J, Zheng, J, Zhou, J, Kang, Q, Bai, L.
Deposit date:2021-11-14
Release date:2022-11-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Endowing homodimeric carbamoyltransferase GdmN with iterative functions through structural characterization and mechanistic studies.
Nat Commun, 13, 2022

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