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9EMS
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BU of 9ems by Molmil
Crystal Structure of DC-SIGN in complex with JXH1902
Descriptor: (2~{R},3~{S},4~{R},5~{S},6~{S})-6-[(2~{S})-3-azanyl-2-oxidanyl-propoxy]-2-(hydroxymethyl)-5-(4-phenyl-1,2,3-triazol-1-yl)oxane-3,4-diol, CALCIUM ION, DC-SIGN, ...
Authors:Jakob, R.P, Cramer, J, Maier, T.
Deposit date:2024-03-09
Release date:2024-11-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Thermodynamics-Guided Design Reveals a Cooperative Hydrogen Bond in DC-SIGN-targeted Glycomimetics.
J.Med.Chem., 67, 2024
5NH1
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BU of 5nh1 by Molmil
Structure of the C-terminal domain of human Gasdermin D
Descriptor: Gasdermin-D
Authors:Anton, L, Sborgi, L, Hiller, S, Broz, P, Maier, T.
Deposit date:2017-03-21
Release date:2017-09-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Insights into Gasdermin D activation from the crystal structure of its C-terminal domain
Biorxiv, 2017
5L4X
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BU of 5l4x by Molmil
Crystal structure of FimH lectin domain in complex with 4-Deoxy-Heptylmannoside
Descriptor: Protein FimH, heptyl 4-deoxy-4-deoxy-alpha-D-mannopyranoside
Authors:Jakob, R.P, Zihlmann, P, Rabbani, S, Maier, T, Ernst, B.
Deposit date:2016-05-26
Release date:2017-06-21
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:High-Affinity Carbohydrate-Lectin Interactions: How Nature Makes it Possible
To Be Published
5MUC
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BU of 5muc by Molmil
Crystal structure of the FimH lectin domain in complex with 1,5-Anhydromannitol
Descriptor: 1-deoxy-alpha-D-mannopyranose, Protein FimH
Authors:Jakob, R.P, Rabbani, S, Ernst, B, Maier, T.
Deposit date:2017-01-13
Release date:2018-02-14
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:KinITC-One Method Supports both Thermodynamic and Kinetic SARs as Exemplified on FimH Antagonists.
Chemistry, 24, 2018
4TM7
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BU of 4tm7 by Molmil
Crystal structure of 6-phosphogluconolactonase from Mycobacterium smegmatis N131D mutant soaked with CuSO4
Descriptor: 1,2-ETHANEDIOL, 6-phosphogluconolactonase, CHLORIDE ION, ...
Authors:Fujieda, N, Stuttfeld, E, Maier, T.
Deposit date:2014-05-31
Release date:2015-06-03
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Enzyme repurposing of a hydrolase as an emergent peroxidase upon metal binding.
Chem Sci, 6, 2015
4CSS
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BU of 4css by Molmil
Crystal structure of FimH in complex with a sulfonamide biphenyl alpha D-mannoside
Descriptor: 4'-(alpha-D-Mannopyranosyloxy)-biphenyl-4-methyl sulfonamide, GLYCEROL, PROTEIN FIMH
Authors:Kleeb, S, Pang, L, Mayer, K, Sigl, A, Eris, D, Preston, R.C, Zihlmann, P, Abgottspon, D, Hutter, A, Scharenberg, M, Jian, X, Navarra, G, Rabbani, S, Smiesko, M, Luedin, N, Jakob, R.P, Schwardt, O, Maier, T, Sharpe, T, Ernst, B.
Deposit date:2014-03-10
Release date:2015-02-25
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.069 Å)
Cite:Fimh Antagonists: Bioisosteres to Improve the in Vitro and in Vivo Pk/Pd Profile.
J.Med.Chem., 58, 2015
4CST
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BU of 4cst by Molmil
Crystal structure of FimH in complex with 3'-Chloro-4'-(alpha-D-mannopyranosyloxy)-biphenyl-4-carbonitrile
Descriptor: 3'-chloro-4'-(alpha-D-mannopyranosyloxy)biphenyl-4-carbonitrile, PROTEIN FIMH
Authors:Kleeb, S, Pang, L, Mayer, K, Sigl, A, Eris, D, Preston, R.C, Zihlmann, P, Abgottspon, D, Hutter, A, Scharenberg, M, Jian, X, Navarra, G, Rabbani, S, Smiesko, M, Luedin, N, Jakob, R.P, Schwardt, O, Maier, T, Sharpe, T, Ernst, B.
Deposit date:2014-03-10
Release date:2015-02-25
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Fimh Antagonists: Bioisosteres to Improve the in Vitro and in Vivo Pk/Pd Profile.
J.Med.Chem., 58, 2015
7NL7
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BU of 7nl7 by Molmil
Crystal Structure of DC-SIGN in complex with a triazole-based glycomimetic ligand
Descriptor: 3-Aminopropyl 2-deoxy-2-(4-phenyl-1,2,3-triazol-1-yl)-alpha-D-mannopyranoside, CALCIUM ION, DC-SIGN, ...
Authors:Jakob, R.P, Cramer, J, Lakkaichi, A, Aliu, B, Cattaneo, I, Klein, S, Jiang, X, Rabbani, S, Schwardt, O, Ernst, B, Maier, T.
Deposit date:2021-02-22
Release date:2021-10-27
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Sweet Drugs for Bad Bugs: A Glycomimetic Strategy against the DC-SIGN-Mediated Dissemination of SARS-CoV-2.
J.Am.Chem.Soc., 143, 2021
7NL6
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BU of 7nl6 by Molmil
Crystal Structure of DC-SIGN in complex with a triazole-based glycomimetic ligand
Descriptor: CALCIUM ION, DC-SIGN, CRD domain, ...
Authors:Jakob, R.P, Cramer, J, Lakkaichi, A, Aliu, B, Cattaneo, I, Klein, S, Jiang, X, Rabbani, S, Schwardt, O, Ernst, B, Maier, T.
Deposit date:2021-02-22
Release date:2021-10-27
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Sweet Drugs for Bad Bugs: A Glycomimetic Strategy against the DC-SIGN-Mediated Dissemination of SARS-CoV-2.
J.Am.Chem.Soc., 143, 2021
2R0R
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BU of 2r0r by Molmil
Crystal Structure of Human Saposin D variant SapD K9E
Descriptor: Proactivator polypeptide, SULFATE ION
Authors:Rossmann, M, Saenger, W, Maier, T.
Deposit date:2007-08-21
Release date:2008-04-29
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structures of human saposins C and d: implications for lipid recognition and membrane interactions.
Structure, 16, 2008
1OBB
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BU of 1obb by Molmil
alpha-glucosidase A, AglA, from Thermotoga maritima in complex with maltose and NAD+
Descriptor: ALPHA-GLUCOSIDASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Lodge, J.A, Maier, T, Liebl, W, Hoffmann, V, Strater, N.
Deposit date:2003-01-29
Release date:2003-05-21
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of Thermotoga Maritima Alpha-Glucosidase Agla Defines a New Clan of Nad+-Dependent Glycosidases
J.Biol.Chem., 278, 2003
2QYP
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BU of 2qyp by Molmil
Orthorhombic Crystal Structure of Human Saposin C Dimer in Open Conformation
Descriptor: Proactivator polypeptide
Authors:Rossmann, M, Saenger, W, Maier, T.
Deposit date:2007-08-15
Release date:2008-04-29
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal structures of human saposins C and d: implications for lipid recognition and membrane interactions.
Structure, 16, 2008
2N19
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BU of 2n19 by Molmil
STIL binding to the Polo-box domain 3 of PLK4 regulates centriole duplication
Descriptor: Serine/threonine-protein kinase PLK4
Authors:Boehm, R, Arquint, C, Gabryjonczyk, A, Imseng, S, Sauer, E, Hiller, S, Nigg, E, Maier, T.
Deposit date:2015-03-24
Release date:2015-08-12
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:STIL binding to Polo-box 3 of PLK4 regulates centriole duplication.
Elife, 4, 2015
4Z42
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BU of 4z42 by Molmil
Crystal structure of urease from Yersinia enterocolitica
Descriptor: NICKEL (II) ION, Urease subunit alpha, Urease subunit beta, ...
Authors:Studer, G, Jakob, R.P, Mahi, M.A, Wiesand, U, Schwede, T, Maier, T.
Deposit date:2015-04-01
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Crystal structure of urease from Yersinia enterocolitica
To Be Published
9HE1
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BU of 9he1 by Molmil
Structure of the Xenorceptide A2-bound E. coli BAM complex (BamABCDE)
Descriptor: Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ...
Authors:Jakob, R.P, Modaresi, S.M, Maier, T, Hiller, S.
Deposit date:2024-11-13
Release date:2025-02-26
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Antibiotics that Kill Gram-negative Bacteria by Restructuring the Outer Membrane Protein BamA
Biorxiv, 2024
2CDH
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BU of 2cdh by Molmil
ARCHITECTURE OF THE THERMOMYCES LANUGINOSUS FUNGAL FATTY ACID SYNTHASE AT 5 ANGSTROM RESOLUTION.
Descriptor: DEHYDRATASE, ENOYL REDUCTASE, KETOACYL REDUCTASE, ...
Authors:Jenni, S, Leibundgut, M, Maier, T, Ban, N.
Deposit date:2006-01-24
Release date:2006-03-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (4.2 Å)
Cite:Architecture of a Fungal Fatty Acid Synthase at 5 A Resolution.
Science, 311, 2006
2CJ9
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BU of 2cj9 by Molmil
Crystal structure of Methanosarcina barkeri seryl-tRNA synthetase complexed with an analog of seryladenylate
Descriptor: 5'-O-(N-(L-SERYL)-SULFAMOYL)ADENOSINE, CHLORIDE ION, SERYL-TRNA SYNTHETASE, ...
Authors:Bilokapic, S, Maier, T, Ahel, D, Gruic-Sovulj, I, Soll, D, Weygand-Durasevic, I, Ban, N.
Deposit date:2006-03-29
Release date:2006-06-26
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of the Unusual Seryl-tRNA Synthetase Reveals a Distinct Zinc-Dependent Mode of Substrate Recognition
Embo J., 25, 2006
2CIM
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BU of 2cim by Molmil
Crystal structure of Methanosarcina barkeri seryl-tRNA synthetase
Descriptor: CHLORIDE ION, PLATINUM (II) ION, SERYL-TRNA SYNTHETASE, ...
Authors:Bilokapic, S, Maier, T, Ahel, D, Gruic-Sovulj, I, Soll, D, Weygand-Durasevic, I, Ban, N.
Deposit date:2006-03-24
Release date:2006-06-26
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Structure of the Unusual Seryl-tRNA Synthetase Reveals a Distinct Zinc-Dependent Mode of Substrate Recognition
Embo J., 25, 2006
2CJB
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BU of 2cjb by Molmil
Crystal structure of Methanosarcina barkeri seryl-tRNA synthetase complexed with serine
Descriptor: CHLORIDE ION, SERINE, SERYL-TRNA SYNTHETASE, ...
Authors:Bilokapic, S, Maier, T, Ahel, D, Gruic-Sovulj, I, Soll, D, Weygand-Durasevic, I, Ban, N.
Deposit date:2006-03-30
Release date:2006-06-26
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of the Unusual Seryl-tRNA Synthetase Reveals a Distinct Zinc-Dependent Mode of Substrate Recognition
Embo J., 25, 2006
4C00
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BU of 4c00 by Molmil
Crystal structure of TamA from E. coli
Descriptor: 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, ACETATE ION, CHLORIDE ION, ...
Authors:Gruss, F, Zaehringer, F, Jakob, R.P, Burmann, B.M, Hiller, S, Maier, T.
Deposit date:2013-07-30
Release date:2013-09-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:The Structural Basis of Autotransporter Translocation by Tama
Nat.Struct.Mol.Biol., 20, 2013
4C16
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BU of 4c16 by Molmil
E-selectin lectin, EGF-like and two SCR domains complexed with glycomimetic antagonist
Descriptor: (1R,2R,3S)-3-methylcyclohexane-1,2-diol, (S)-CYCLOHEXYL LACTIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Preston, R.C, Jakob, R.P, Binder, F.P.C, Sager, C.P, Ernst, B, Maier, T.
Deposit date:2013-08-09
Release date:2014-08-20
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:E-Selectin Ligand Complexes Adopt an Extended High-Affinity Conformation.
J.Mol.Cell.Biol., 8, 2016
4BZA
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BU of 4bza by Molmil
Crystal structure of TamA POTRA domains 1-3 from E. coli
Descriptor: 1,2-ETHANEDIOL, TRANSLOCATION AND ASSEMBLY MODULE TAMA
Authors:Jakob, R.P, Gruss, F, Zaehringer, F, Burmann, B.M, Hiller, S, Maier, T.
Deposit date:2013-07-24
Release date:2013-09-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.839 Å)
Cite:The Structural Basis of Autotransporter Translocation by Tama
Nat.Struct.Mol.Biol., 20, 2013
4CW4
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BU of 4cw4 by Molmil
Crystal structure of the noncanonical ketosynthase FabY from P. aeruginosa
Descriptor: BETA-KETOACYL SYNTHASE, CHLORIDE ION, SULFATE ION
Authors:Bukhari, H.S.T, Jakob, R.P, Maier, T.
Deposit date:2014-04-01
Release date:2014-12-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.349 Å)
Cite:Evolutionary Origins of the Multienzyme Architecture of Giant Fungal Fatty Acid Synthase.
Structure, 22, 2014
4CSY
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BU of 4csy by Molmil
E-selectin lectin, EGF-like and two SCR domains complexed with Sialyl Lewis X
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, E-SELECTIN, ...
Authors:Preston, R.C, Jakob, R.P, Binder, F.P.C, Sager, C.P, Ernst, B, Maier, T.
Deposit date:2014-03-11
Release date:2014-09-24
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:E-Selectin Ligand Complexes Adopt an Extended High-Affinity Conformation.
J.Mol.Cell.Biol., 8, 2016
7O7F
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BU of 7o7f by Molmil
Structural basis of the activation of the CC chemokine receptor 5 by a chemokine agonist
Descriptor: C-C chemokine receptor type 5, C-C motif chemokine 5, Fab antibody fragment heavy chain, ...
Authors:Isaikina, P, Tsai, C.-J, Dietz, N.B, Pamula, F, Goldie, K.N, Schertler, G.F.X, Maier, T, Stahlberg, H, Deupi, X, Grzesiek, S.
Deposit date:2021-04-13
Release date:2021-06-30
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.15 Å)
Cite:Structural basis of the activation of the CC chemokine receptor 5 by a chemokine agonist.
Sci Adv, 7, 2021

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