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1QJP
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BU of 1qjp by Molmil
HIGH RESOLUTION STRUCTURE OF THE OUTER MEMBRANE PROTEIN A (OMPA) TRANSMEMBRANE DOMAIN
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, OUTER MEMBRANE PROTEIN A
Authors:Pautsch, A, Schulz, G.E.
Deposit date:1999-06-29
Release date:2000-06-30
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:High Resolution Structure of the Ompa Membrane Domain
J.Mol.Biol., 298, 2000
1JQH
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BU of 1jqh by Molmil
IGF-1 receptor kinase domain
Descriptor: IGF-1 receptor kinase, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Pautsch, A, Zoephel, A, Ahorn, H, Spevak, W, Hauptmann, R, Nar, H.
Deposit date:2001-08-07
Release date:2002-04-19
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of bisphosphorylated IGF-1 receptor kinase: insight into domain movements upon kinase activation.
Structure, 9, 2001
2QLL
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BU of 2qll by Molmil
Human liver glycogen phosphorylase- GL complex
Descriptor: Glycogen phosphorylase, liver form, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Pautsch, A, Streicher, R, Wissdorf, O, Stadler, N.
Deposit date:2007-07-13
Release date:2008-02-19
Last modified:2013-03-13
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Molecular recognition of the protein phosphatase 1 glycogen targeting subunit by glycogen phosphorylase.
J.Biol.Chem., 283, 2008
4BBA
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BU of 4bba by Molmil
Crystal structure of glucokinase regulatory protein complexed to phosphate
Descriptor: GLUCOKINASE REGULATORY PROTEIN, PHOSPHATE ION
Authors:Pautsch, A, Stadler, N, Loehle, A, Lenter, M, Rist, W, Berg, A, Glocker, L, Nar, H, Reinhart, D, Heckel, A, Schnapp, G, Kauschke, S.G.
Deposit date:2012-09-21
Release date:2013-05-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Crystal Structure of Glucokinase Regulatory Protein.
Biochemistry, 52, 2013
4BB9
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BU of 4bb9 by Molmil
Crystal structure of glucokinase regulatory protein complexed to fructose-1-phosphate
Descriptor: 1-O-phosphono-beta-D-fructopyranose, CALCIUM ION, GLUCOKINASE REGULATORY PROTEIN
Authors:Pautsch, A, Stadler, N, Loehle, A, Lenter, M, Rist, W, Berg, A, Glocker, L, Nar, H, Reinert, D, Heckel, A, Schnapp, G, Kauschke, S.G.
Deposit date:2012-09-21
Release date:2013-05-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Crystal Structure of Glucokinase Regulatory Protein.
Biochemistry, 52, 2013
2A78
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BU of 2a78 by Molmil
Crystal structure of the C3bot-RalA complex reveals a novel type of action of a bacterial exoenzyme
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Mono-ADP-ribosyltransferase C3, ...
Authors:Pautsch, A, Vogelsgesang, M, Trankle, J, Herrmann, C, Aktories, K.
Deposit date:2005-07-05
Release date:2005-10-11
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Crystal structure of the C3bot-RalA complex reveals a novel type of action of a bacterial exoenzyme.
Embo J., 24, 2005
2A9K
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BU of 2a9k by Molmil
Crystal structure of the C3bot-NAD-RalA complex reveals a novel type of action of a bacterial exoenzyme
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Mono-ADP-ribosyltransferase C3, ...
Authors:Pautsch, A, Vogelsgesang, M, Trankle, J, Herrmann, C, Aktories, K.
Deposit date:2005-07-12
Release date:2005-10-11
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Crystal structure of the C3bot-RalA complex reveals a novel type of action of a bacterial exoenzyme.
Embo J., 24, 2005
1BXW
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BU of 1bxw by Molmil
OUTER MEMBRANE PROTEIN A (OMPA) TRANSMEMBRANE DOMAIN
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, PROTEIN (OUTER MEMBRANE PROTEIN A)
Authors:Schulz, G.E, Pautsch, A.
Deposit date:1998-10-03
Release date:1998-10-14
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of the outer membrane protein A transmembrane domain.
Nat.Struct.Biol., 5, 1998
8OMJ
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BU of 8omj by Molmil
hKHK-C in complex with compound 28
Descriptor: Ketohexokinase, SULFATE ION, [3-[[6-[(3~{a}~{R},6~{a}~{S})-2,3,3~{a},4,6,6~{a}-hexahydro-1~{H}-pyrrolo[3,4-c]pyrrol-5-yl]-3-cyano-4-(trifluoromethyl)pyridin-2-yl]amino]-4-methylsulfanyl-phenyl]methoxy-methyl-phosphinic acid
Authors:Pautsch, A, Ebenhoch, R.
Deposit date:2023-03-31
Release date:2024-07-10
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (1.978 Å)
Cite:Discovery of BI-9787, a potent zwitterionic ketohexokinase inhibitor with oral bioavailability.
Bioorg.Med.Chem.Lett., 112, 2024
6GPX
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BU of 6gpx by Molmil
CRYSTAL STRUCTURE OF CCR2A IN COMPLEX WITH MK-0812
Descriptor: C-C chemokine receptor type 2,Rubredoxin,C-C chemokine receptor type 2, OLEIC ACID, ZINC ION, ...
Authors:Pautsch, A, Schnapp, G, Cheng, R, Apel, A.
Deposit date:2018-06-07
Release date:2019-01-02
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structure of CC Chemokine Receptor 2A in Complex with an Orthosteric Antagonist Provides Insights for the Design of Selective Antagonists.
Structure, 27, 2019
6GPS
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BU of 6gps by Molmil
CRYSTAL STRUCTURE OF CCR2A IN COMPLEX WITH MK-0812
Descriptor: C-C chemokine receptor type 2,Rubredoxin,C-C chemokine receptor type 2, ZINC ION, [(3~{S},4~{S})-3-methoxyoxan-4-yl]-[(1~{R},3~{S})-3-propan-2-yl-3-[[3-(trifluoromethyl)-7,8-dihydro-5~{H}-1,6-naphthyridin-6-yl]carbonyl]cyclopentyl]azanium
Authors:Pautsch, A, Schnapp, G.
Deposit date:2018-06-07
Release date:2019-01-02
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Crystal Structure of CC Chemokine Receptor 2A in Complex with an Orthosteric Antagonist Provides Insights for the Design of Selective Antagonists.
Structure, 27, 2019
9FHD
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BU of 9fhd by Molmil
hKHK-C in fomplex with BI-9787
Descriptor: (2~{S})-3-[3-[[4-[bis(fluoranyl)methyl]-3-cyano-6-[(3~{S})-3-(dimethylamino)pyrrolidin-1-yl]pyridin-2-yl]amino]-4-methylsulfanyl-phenyl]-2-methyl-propanoic acid, Ketohexokinase, SULFATE ION
Authors:Ebenhoch, R, Pautsch, A.
Deposit date:2024-05-27
Release date:2024-09-04
Method:X-RAY DIFFRACTION (1.845 Å)
Cite:Discovery of BI-9787, a potent zwitterionic ketohexokinase inhibitor with oral bioavailability.
Bioorg.Med.Chem.Lett., 112, 2024
9FHE
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BU of 9fhe by Molmil
hKHK-C in complex with BI-9787 (pH 5.5)
Descriptor: (2~{S})-3-[3-[[4-[bis(fluoranyl)methyl]-3-cyano-6-[(3~{S})-3-(dimethylamino)pyrrolidin-1-yl]pyridin-2-yl]amino]-4-methylsulfanyl-phenyl]-2-methyl-propanoic acid, Ketohexokinase
Authors:Ebenhoch, R, Pautsch, A.
Deposit date:2024-05-27
Release date:2024-09-04
Method:X-RAY DIFFRACTION (2.313 Å)
Cite:Discovery of BI-9787, a potent zwitterionic ketohexokinase inhibitor with oral bioavailability.
Bioorg.Med.Chem.Lett., 112, 2024
8QZ6
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BU of 8qz6 by Molmil
Structure of human ceramide synthase 6 (CerS6) bound to C16:0
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Isoform 2 of Ceramide synthase 6, ...
Authors:Pascoa, T.C, Pike, A.C.W, Chi, G, Stefanic, S, Quigley, A, Chalk, R, Mukhopadhyay, S.M.M, Venkaya, S, Dix, C, Moreira, T, Tessitore, A, Cole, V, Chu, A, Elkins, J.M, Pautsch, A, Schnapp, G, Carpenter, E.P, Sauer, D.B.
Deposit date:2023-10-26
Release date:2024-11-13
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis of the mechanism and inhibition of a human ceramide synthase
Nature Structural & Molecular Biology, 2024
8QZ7
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BU of 8qz7 by Molmil
Structure of human ceramide synthase 6 (CerS6) in complex with N-palmitoyl fumonisin B1
Descriptor: (2~{R})-2-[2-[(5~{R},6~{R},7~{S},9~{S},11~{R},16~{R},18~{S},19~{S})-6-[(3~{R})-3-carboxy-5-oxidanyl-5-oxidanylidene-pentanoyl]oxy-19-(hexadecanoylamino)-5,9-dimethyl-11,16,18-tris(oxidanyl)icosan-7-yl]oxy-2-oxidanylidene-ethyl]butanedioic acid, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Pascoa, T.C, Pike, A.C.W, Chi, G, Stefanic, S, Quigley, A, Chalk, R, Mukhopadhyay, S.M.M, Venkaya, S, Dix, C, Moreira, T, Tessitore, A, Cole, V, Chu, A, Elkins, J.M, Pautsch, A, Schnapp, G, Carpenter, E.P, Sauer, D.B.
Deposit date:2023-10-26
Release date:2024-11-13
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis of the mechanism and inhibition of a human ceramide synthase
Nature Structural & Molecular Biology, 2024
8OMK
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BU of 8omk by Molmil
hKHK-C in complex with ADP & fructose 1-phosphate
Descriptor: 1-O-phosphono-beta-D-fructofuranose, ADENOSINE-5'-DIPHOSPHATE, Ketohexokinase, ...
Authors:Ebenhoch, R, Pautsch, A.
Deposit date:2023-03-31
Release date:2024-01-10
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Discovery of BI-9787, a potent zwitterionic ketohexokinase inhibitor with oral bioavailability.
Bioorg.Med.Chem.Lett., 112, 2024
8OME
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BU of 8ome by Molmil
Crystal structure of hKHK-A in complex with compound-4
Descriptor: Ketohexokinase, compound
Authors:Ebenhoch, R, Pautsch, A.
Deposit date:2023-03-31
Release date:2023-09-27
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of human and mouse ketohexokinase provide a structural basis for species- and isoform-selective inhibitor design.
Acta Crystallogr D Struct Biol, 79, 2023
8OMD
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BU of 8omd by Molmil
Crystal structure of mKHK in complex with compound-4
Descriptor: Ketohexokinase, compound
Authors:Ebenhoch, R, Pautsch, A.
Deposit date:2023-03-31
Release date:2023-09-27
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of human and mouse ketohexokinase provide a structural basis for species- and isoform-selective inhibitor design.
Acta Crystallogr D Struct Biol, 79, 2023
8OMF
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BU of 8omf by Molmil
Crystal structure of hKHK-C in complex with compound-4
Descriptor: Ketohexokinase, SULFATE ION, compound
Authors:Ebenhoch, R, Pautsch, A.
Deposit date:2023-03-31
Release date:2023-09-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Crystal structures of human and mouse ketohexokinase provide a structural basis for species- and isoform-selective inhibitor design.
Acta Crystallogr D Struct Biol, 79, 2023
3P0G
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BU of 3p0g by Molmil
Structure of a nanobody-stabilized active state of the beta2 adrenoceptor
Descriptor: 8-[(1R)-2-{[1,1-dimethyl-2-(2-methylphenyl)ethyl]amino}-1-hydroxyethyl]-5-hydroxy-2H-1,4-benzoxazin-3(4H)-one, Beta-2 adrenergic receptor, Lysozyme, ...
Authors:Rasmussen, S.G.F, Choi, H.-J, Fung, J.J, Pardon, E, Casarosa, P, Chae, P.S, DeVree, B.T, Rosenbaum, D.M, Thian, F.S, Kobilka, T.S, Schnapp, A, Konetzki, I, Sunahara, R.K, Gellman, S.H, Pautsch, A, Steyaert, J, Weis, W.I, Kobilka, B.K.
Deposit date:2010-09-28
Release date:2011-01-19
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structure of a nanobody-stabilized active state of the b2 adrenoceptor
Nature, 469, 2011
9EOT
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BU of 9eot by Molmil
Structure of human ceramide synthase 6 (CerS6) bound to C16:0 (nanobody Nb02)
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Isoform 2 of Ceramide synthase 6, ...
Authors:Pascoa, T.C, Pike, A.C.W, Chi, G, Stefanic, S, Quigley, A, Chalk, R, Mukhopadhyay, S.M.M, Venkaya, S, Dix, C, Moreira, T, Tessitore, A, Cole, V, Chu, A, Elkins, J.M, Pautsch, A, Schnapp, G, Carpenter, E.P, Sauer, D.B.
Deposit date:2024-03-15
Release date:2024-11-13
Method:ELECTRON MICROSCOPY (3.02 Å)
Cite:Structural basis of the mechanism and inhibition of a human ceramide synthase
Nature Structural & Molecular Biology, 2024
3BW8
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BU of 3bw8 by Molmil
Crystal structure of the Clostridium limosum C3 exoenzyme
Descriptor: Mono-ADP-ribosyltransferase C3, SULFATE ION
Authors:Vogelsgesang, M, Stieglitz, B, Herrmann, C, Pautsch, A, Aktories, K.
Deposit date:2008-01-08
Release date:2008-04-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the Clostridium limosum C3 exoenzyme.
Febs Lett., 582, 2008
7QXZ
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BU of 7qxz by Molmil
X-ray structure of furin in complex with the dichlorophenylpyridine-based inhibitor 5
Descriptor: 2-[(3S)-1-[[2-[3,5-bis(chloranyl)phenyl]-6-[2-(4-methylpiperazin-4-ium-1-yl)pyrimidin-5-yl]oxy-pyridin-4-yl]methyl]pyrrolidin-1-ium-3-yl]oxyethanoic acid, CALCIUM ION, CHLORIDE ION, ...
Authors:Dahms, S.O, Brandstetter, H, Pautsch, A.
Deposit date:2022-01-27
Release date:2022-04-13
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Dichlorophenylpyridine-Based Molecules Inhibit Furin through an Induced-Fit Mechanism.
Acs Chem.Biol., 17, 2022
7QY2
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BU of 7qy2 by Molmil
X-ray structure of furin in complex with the dichlorophenylpyridine-based inhibitor 2
Descriptor: (2R)-4-[4-[5-[4-[[4-(acetamidomethyl)piperidin-1-ium-1-yl]methyl]-6-[3,5-bis(chloranyl)phenyl]pyridin-2-yl]oxypyrimidin-2-yl]piperazin-1-ium-1-yl]-2-methyl-butanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Dahms, S.O, Brandstetter, H, Pautsch, A.
Deposit date:2022-01-27
Release date:2022-04-20
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Dichlorophenylpyridine-Based Molecules Inhibit Furin through an Induced-Fit Mechanism.
Acs Chem.Biol., 17, 2022
7QXY
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BU of 7qxy by Molmil
X-ray structure of furin in complex with the dichlorophenylpyridine-based inhibitor 3
Descriptor: 3-[4-[5-[4-[[4-(acetamidomethyl)piperidin-1-ium-1-yl]methyl]-6-[3,5-bis(chloranyl)phenyl]pyridin-2-yl]oxypyrimidin-2-yl]piperazin-1-ium-1-yl]propanoate, CALCIUM ION, CHLORIDE ION, ...
Authors:Dahms, S.O, Brandstetter, H, Pautsch, A.
Deposit date:2022-01-27
Release date:2022-04-20
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.478 Å)
Cite:Dichlorophenylpyridine-Based Molecules Inhibit Furin through an Induced-Fit Mechanism.
Acs Chem.Biol., 17, 2022

 

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