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5MLI
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BU of 5mli by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 4-chloro-2-methyl-5-(methylamino)pyridazin-3(2H)-one
Descriptor: 4-chloranyl-2-methyl-5-(methylamino)pyridazin-3-one, Bromodomain-containing protein 4
Authors:Chung, C.-W.
Deposit date:2016-12-06
Release date:2017-12-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Discovery of a Potent, Cell Penetrant, and Selective p300/CBP-Associated Factor (PCAF)/General Control Nonderepressible 5 (GCN5) Bromodomain Chemical Probe.
J. Med. Chem., 60, 2017
5OO4
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BU of 5oo4 by Molmil
Streptomyces PAC13 with uridine
Descriptor: Putative cupin_2 domain-containing isomerase, URIDINE
Authors:Chung, C, Michailidou, F.
Deposit date:2017-08-05
Release date:2017-08-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Pac13 is a Small, Monomeric Dehydratase that Mediates the Formation of the 3'-Deoxy Nucleoside of Pacidamycins.
Angew. Chem. Int. Ed. Engl., 56, 2017
5OO5
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BU of 5oo5 by Molmil
Streptomyces PAC13 with uridine uronic acid
Descriptor: Putative cupin_2 domain-containing isomerase, uridine uronic acid
Authors:Chung, C, Michailidou, F.
Deposit date:2017-08-05
Release date:2017-08-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Pac13 is a Small, Monomeric Dehydratase that Mediates the Formation of the 3'-Deoxy Nucleoside of Pacidamycins.
Angew. Chem. Int. Ed. Engl., 56, 2017
5OOA
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BU of 5ooa by Molmil
Streptomyces PAC13 (Y89F) with uridine
Descriptor: Putative cupin_2 domain-containing isomerase, URIDINE
Authors:Chung, C, Michailidou, F.
Deposit date:2017-08-06
Release date:2017-08-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Pac13 is a Small, Monomeric Dehydratase that Mediates the Formation of the 3'-Deoxy Nucleoside of Pacidamycins.
Angew. Chem. Int. Ed. Engl., 56, 2017
5OO8
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BU of 5oo8 by Molmil
Streptomyces PAC13 (H42Q) with uridine
Descriptor: 1,2-ETHANEDIOL, Putative cupin_2 domain-containing isomerase, URIDINE
Authors:Chung, C, Michailidou, F.
Deposit date:2017-08-06
Release date:2017-08-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Pac13 is a Small, Monomeric Dehydratase that Mediates the Formation of the 3'-Deoxy Nucleoside of Pacidamycins.
Angew. Chem. Int. Ed. Engl., 56, 2017
5OO9
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BU of 5oo9 by Molmil
Streptomyces PAC13 (Y55F) with uridine
Descriptor: Putative cupin_2 domain-containing isomerase, URIDINE
Authors:Chung, C, Michailidou, F.
Deposit date:2017-08-06
Release date:2017-08-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Pac13 is a Small, Monomeric Dehydratase that Mediates the Formation of the 3'-Deoxy Nucleoside of Pacidamycins.
Angew. Chem. Int. Ed. Engl., 56, 2017
5FP7
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BU of 5fp7 by Molmil
Crystal structure of human KDM4D in complex with 3-4-methylthiophen-2- yl methylaminopyridine-4-carboxylic acid
Descriptor: 3-(4-phenylbutanoylamino)pyridine-4-carboxylic acid, FE (II) ION, GLYCEROL, ...
Authors:Chung, C.
Deposit date:2015-11-27
Release date:2016-11-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Cell Penetrant Inhibitors of the KDM4 and KDM5 Families of Histone Lysine Demethylases. 2. Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives.
J. Med. Chem., 59, 2016
6ZAA
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BU of 6zaa by Molmil
PI3K Delta in complex with methoxy(methylsulfamoyl)pyridinylN(methylpiperidinyl)dihydrobenzoxazinecarboxamide
Descriptor: 4-[6-methoxy-5-(methylsulfamoyl)pyridin-3-yl]-~{N}-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzoxazine-6-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Authors:Convery, M.A, Hardy, C.J, Spencer, J.A, Rowland, P.
Deposit date:2020-06-05
Release date:2020-07-15
Last modified:2021-09-29
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Design and Development of a Macrocyclic Series Targeting Phosphoinositide 3-Kinase delta.
Acs Med.Chem.Lett., 11, 2020
6ZAC
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BU of 6zac by Molmil
PI3K Delta in complex with [(dimethylamino)methyldihydrobenzoxazin2methoxypyridinyl]methanesulfonamide
Descriptor: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ~{N}-[5-[6-[(dimethylamino)methyl]-2,3-dihydro-1,4-benzoxazin-4-yl]-2-methoxy-pyridin-3-yl]methanesulfonamide
Authors:Convery, M.A, Hardy, C.J, Spencer, J.A, Rowland, P.
Deposit date:2020-06-05
Release date:2020-07-01
Last modified:2021-09-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Design and Development of a Macrocyclic Series Targeting Phosphoinositide 3-Kinase delta.
Acs Med.Chem.Lett., 11, 2020
6ZAD
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BU of 6zad by Molmil
PI3K Delta in complex with methoxymethyloxathiatetraazatetracyclodocosahexaenedione
Descriptor: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, methoxymethyloxathiatetraazatetracyclodocosahexaenedione
Authors:Convery, M.A, Hardy, C.J, Spencer, J.A, Rowland, P.
Deposit date:2020-06-05
Release date:2020-07-29
Last modified:2021-09-29
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Design and Development of a Macrocyclic Series Targeting Phosphoinositide 3-Kinase delta.
Acs Med.Chem.Lett., 11, 2020
2XVW
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BU of 2xvw by Molmil
Human serum albumin complexed with dansyl-L-arginine and myristic acid
Descriptor: DANSYL-L-ARGININE, MYRISTIC ACID, SERUM ALBUMIN
Authors:Ghuman, J, Curry, S.
Deposit date:2010-10-28
Release date:2010-11-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural Basis of Binding of Fluorescent, Site-Specific Dansylated Amino Acids to Human Serum Albumin.
J.Struct.Biol., 174, 2011
2XW0
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BU of 2xw0 by Molmil
Human serum albumin complexed with dansyl-L-phenylalanine
Descriptor: DANSYL-L-PHENYLALANINE, SERUM ALBUMIN
Authors:Ryan, A.J, Curry, S.
Deposit date:2010-10-28
Release date:2010-11-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Basis of Binding of Fluorescent, Site-Specific Dansylated Amino Acids to Human Serum Albumin.
J.Struct.Biol., 174, 2011
2XVV
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BU of 2xvv by Molmil
Human serum albumin complexed with dansyl-L-asparagine and myristic acid
Descriptor: DANSYL-L-ASPARAGINE, MYRISTIC ACID, SERUM ALBUMIN
Authors:Ghuman, J, Curry, S.
Deposit date:2010-10-28
Release date:2010-11-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Basis of Binding of Fluorescent, Site-Specific Dansylated Amino Acids to Human Serum Albumin.
J.Struct.Biol., 174, 2011
2XVQ
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BU of 2xvq by Molmil
Human serum albumin complexed with dansyl-L-sarcosine
Descriptor: DANSYL-L-SARCOSINE, SERUM ALBUMIN
Authors:Ryan, A.J, Curry, S.
Deposit date:2010-10-27
Release date:2010-11-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural Basis of Binding of Fluorescent, Site-Specific Dansylated Amino Acids to Human Serum Albumin.
J.Struct.Biol., 174, 2011
2XVU
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BU of 2xvu by Molmil
Human serum albumin complexed with dansyl-L-asparagine
Descriptor: DANSYL-L-ASPARAGINE, SERUM ALBUMIN
Authors:Zunszain, P.A, Curry, S.
Deposit date:2010-10-28
Release date:2010-11-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Basis of Binding of Fluorescent, Site-Specific Dansylated Amino Acids to Human Serum Albumin.
J.Struct.Biol., 174, 2011
2XSI
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BU of 2xsi by Molmil
Human serum albumin complexed with dansyl-L-glutamate and myristic acid
Descriptor: DANSYL-L-GLUTAMATE, MYRISTIC ACID, SERUM ALBUMIN
Authors:Ghuman, J, Curry, S.
Deposit date:2010-10-29
Release date:2010-11-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural Basis of Binding of Fluorescent, Site-Specific Dansylated Amino Acids to Human Serum Albumin.
J.Struct.Biol., 174, 2011
2XW1
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BU of 2xw1 by Molmil
Human serum albumin complexed with dansyl-L-norvaline
Descriptor: DANSYL-L-NORVALINE, SERUM ALBUMIN
Authors:Ryan, A.J, Curry, S.
Deposit date:2010-10-28
Release date:2010-11-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Basis of Binding of Fluorescent, Site-Specific Dansylated Amino Acids to Human Serum Albumin.
J.Struct.Biol., 174, 2011
2YDF
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BU of 2ydf by Molmil
HUMAN SERUM ALBUMIN COMPLEXED WITH IOPHENOXIC ACID
Descriptor: IOPHENOXIC ACID, SERUM ALBUMIN
Authors:Ryan, A.J, Curry, S.
Deposit date:2011-03-18
Release date:2011-04-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystallographic Analysis Reveals the Structural Basis of the High-Affinity Binding of Iophenoxic Acid to Human Serum Albumin.
Bmc Struct.Biol., 11, 2011
7B5P
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BU of 7b5p by Molmil
AcrB in cycloalkane amphipol
Descriptor: Efflux pump membrane transporter
Authors:Higgins, A.J, Flynn, A.J, Muench, S.P.
Deposit date:2020-12-05
Release date:2021-12-08
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cycloalkane-modified amphiphilic polymers provide direct extraction of membrane proteins for CryoEM analysis.
Commun Biol, 4, 2021
5I5W
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BU of 5i5w by Molmil
X-RAY CRYSTAL STRUCTURE AT 2.40A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A BIARYL AMIDE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR.
Descriptor: 1,2-ETHANEDIOL, Branched-chain-amino-acid aminotransferase, mitochondrial, ...
Authors:Somers, D.O.
Deposit date:2016-02-15
Release date:2016-03-23
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structurally Diverse Mitochondrial Branched Chain Aminotransferase (BCATm) Leads with Varying Binding Modes Identified by Fragment Screening.
J.Med.Chem., 59, 2016
6SC9
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BU of 6sc9 by Molmil
dAb3/HOIP-RBR-HOIPIN-8
Descriptor: 2-[3-[2,6-bis(fluoranyl)-4-(1~{H}-pyrazol-4-yl)phenyl]-3-oxidanylidene-prop-1-enyl]-4-(1-methylpyrazol-4-yl)benzoic acid, CHLORIDE ION, E3 ubiquitin-protein ligase RNF31, ...
Authors:Tsai, Y.-C.I, Johansson, H, House, D, Rittinger, K.
Deposit date:2019-07-23
Release date:2019-11-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Single-Domain Antibodies as Crystallization Chaperones to Enable Structure-Based Inhibitor Development for RBR E3 Ubiquitin Ligases.
Cell Chem Biol, 27, 2020
6SC8
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BU of 6sc8 by Molmil
dAb3/HOIP-RBR-Ligand4
Descriptor: CHLORIDE ION, E3 ubiquitin-protein ligase RNF31, SULFATE ION, ...
Authors:Tsai, Y.-C.I, Johansson, H, House, D, Rittinger, K.
Deposit date:2019-07-23
Release date:2019-11-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.106 Å)
Cite:Single-Domain Antibodies as Crystallization Chaperones to Enable Structure-Based Inhibitor Development for RBR E3 Ubiquitin Ligases.
Cell Chem Biol, 27, 2020
6SC7
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BU of 6sc7 by Molmil
dAb3/HOIP-RBR-Ligand3
Descriptor: CHLORIDE ION, E3 ubiquitin-protein ligase RNF31, SULFATE ION, ...
Authors:Tsai, Y.-C.I, Johansson, H, House, D, Rittinger, K.
Deposit date:2019-07-23
Release date:2019-11-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Single-Domain Antibodies as Crystallization Chaperones to Enable Structure-Based Inhibitor Development for RBR E3 Ubiquitin Ligases.
Cell Chem Biol, 27, 2020
6SC6
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BU of 6sc6 by Molmil
dAb3/HOIP-RBR apo structure
Descriptor: CHLORIDE ION, E3 ubiquitin-protein ligase RNF31, SULFATE ION, ...
Authors:Tsai, Y.-C.I, House, D, Rittinger, K.
Deposit date:2019-07-23
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Single-Domain Antibodies as Crystallization Chaperones to Enable Structure-Based Inhibitor Development for RBR E3 Ubiquitin Ligases.
Cell Chem Biol, 27, 2020
6SC5
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BU of 6sc5 by Molmil
dAb3/HOIP-RBR-Ligand2
Descriptor: CHLORIDE ION, E3 ubiquitin-protein ligase RNF31, SULFATE ION, ...
Authors:Tsai, Y.-C.I, Johansson, H, House, D, Rittinger, K.
Deposit date:2019-07-23
Release date:2019-11-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Single-Domain Antibodies as Crystallization Chaperones to Enable Structure-Based Inhibitor Development for RBR E3 Ubiquitin Ligases.
Cell Chem Biol, 27, 2020

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