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6H4M
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BU of 6h4m by Molmil
TarP-UDP-GlcNAc-3RboP
Descriptor: CHLORIDE ION, MAGNESIUM ION, Probable ss-1,3-N-acetylglucosaminyltransferase, ...
Authors:Guo, Y, Stehle, T.
Deposit date:2018-07-22
Release date:2018-09-26
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Methicillin-resistant Staphylococcus aureus alters cell wall glycosylation to evade immunity.
Nature, 563, 2018
4E0T
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BU of 4e0t by Molmil
Crystal structure of CdpNPT in its unbound state
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Cyclic dipeptide N-prenyltransferase, ...
Authors:Schuller, J.M, Zocher, G, Stehle, T.
Deposit date:2012-03-05
Release date:2012-05-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure and catalytic mechanism of a cyclic dipeptide prenyltransferase with broad substrate promiscuity.
J.Mol.Biol., 422, 2012
4EE6
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BU of 4ee6 by Molmil
Crystal Structure of the Novel Phenazine Prenyltransferase EpzP (methylated)
Descriptor: CHLORIDE ION, MAGNESIUM ION, Prenyltransferase, ...
Authors:Zocher, G, Stehle, T.
Deposit date:2012-03-28
Release date:2012-11-14
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Structure-based engineering increased the catalytic turnover rate of a novel phenazine prenyltransferase.
Plos One, 7, 2012
4EQM
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BU of 4eqm by Molmil
Structural analysis of Staphylococcus aureus serine/threonine kinase PknB
Descriptor: BENZAMIDINE, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Protein kinase
Authors:Rakette, S, Stehle, T.
Deposit date:2012-04-19
Release date:2012-06-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural Analysis of Staphylococcus aureus Serine/Threonine Kinase PknB.
Plos One, 7, 2012
4EE7
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BU of 4ee7 by Molmil
Crystal Structure of the Novel Phenazine Prenyltransferase EpzP in complex with S-thiolodiphosphate (methylated)
Descriptor: CHLORIDE ION, Prenyltransferase, SULFATE ION, ...
Authors:Zocher, G, Stehle, T.
Deposit date:2012-03-28
Release date:2012-11-14
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Structure-based engineering increased the catalytic turnover rate of a novel phenazine prenyltransferase.
Plos One, 7, 2012
4EE8
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BU of 4ee8 by Molmil
Crystal structure of the Novel Phenazine Prenyltransferase EpzP (wildtype)
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, CHLORIDE ION, ...
Authors:Zocher, G, Stehle, T.
Deposit date:2012-03-28
Release date:2012-11-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Structure-based engineering increased the catalytic turnover rate of a novel phenazine prenyltransferase.
Plos One, 7, 2012
4EPC
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BU of 4epc by Molmil
Crystal structure of Autolysin repeat domains from Staphylococcus epidermidis
Descriptor: N-acetylmuramoyl-L-alanine amidase
Authors:Zoll, S, Stehle, T.
Deposit date:2012-04-17
Release date:2012-06-06
Last modified:2012-08-15
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Ligand-binding properties and conformational dynamics of autolysin repeat domains in staphylococcal cell wall recognition.
J.Bacteriol., 194, 2012
4KNK
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BU of 4knk by Molmil
Crystal structure of Staphylococcus aureus hydrolase AmiA
Descriptor: 1,2-ETHANEDIOL, Bifunctional autolysin, DI(HYDROXYETHYL)ETHER, ...
Authors:Buettner, F.M, Zoll, S, Stehle, T.
Deposit date:2013-05-10
Release date:2014-03-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.124 Å)
Cite:Structure-function analysis of Staphylococcus aureus amidase reveals the determinants of peptidoglycan recognition and cleavage.
J.Biol.Chem., 289, 2014
4LD7
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BU of 4ld7 by Molmil
Crystal structure of AnaPT from Neosartorya fischeri
Descriptor: Dimethylallyl tryptophan synthase, SODIUM ION, TRIHYDROGEN THIODIPHOSPHATE
Authors:Zocher, G, Stehle, T.
Deposit date:2013-06-24
Release date:2013-12-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Catalytic Mechanism of Stereospecific Formation of cis-Configured Prenylated Pyrroloindoline Diketopiperazines by Indole Prenyltransferases.
Chem.Biol., 20, 2013
4KNL
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BU of 4knl by Molmil
Crystal structure of Staphylococcus aureus hydrolase AmiA in complex with its ligand
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Bifunctional autolysin, D(-)-TARTARIC ACID, ...
Authors:Buettner, F.M, Stehle, T.
Deposit date:2013-05-10
Release date:2014-03-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure-function analysis of Staphylococcus aureus amidase reveals the determinants of peptidoglycan recognition and cleavage.
J.Biol.Chem., 289, 2014
4LZU
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BU of 4lzu by Molmil
Bovine beta-lactoglobulin crystallized in the presence of 2 mM zinc chloride
Descriptor: Beta-lactoglobulin, ZINC ION
Authors:Oelker, M, Zocher, G, Stehle, T.
Deposit date:2013-08-01
Release date:2014-08-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Non-Classical Pathways of Protein Crystallization in the Presence of Multivalent Metal Ions
To be Published
4LZV
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BU of 4lzv by Molmil
Bovine beta-lactoglobulin crystallized in the presence of 20 mM zinc chloride
Descriptor: Beta-lactoglobulin, ZINC ION
Authors:Oelker, M, Zocher, G, Stehle, T.
Deposit date:2013-08-01
Release date:2014-08-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Non-Classical Pathways of Protein Crystallization in the Presence of Multivalent Metal Ions
To be Published
6QJU
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BU of 6qju by Molmil
Crystal structure of human Bromodomain containing protein 3 (BRD3) in complex with 3-bromo-1H-indazol-5-amine
Descriptor: 1,2-ETHANEDIOL, 3-bromanyl-2~{H}-indazol-5-amine, Bromodomain-containing protein 3, ...
Authors:Braun, M.B, Stehle, T, Heidrich, J.
Deposit date:2019-01-25
Release date:2020-02-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.202 Å)
Cite:Br-O-modomain (BRD3) halogen binding to a small molecule
To Be Published
2QLK
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BU of 2qlk by Molmil
Adenovirus AD35 fibre head
Descriptor: Fiber, GLYCEROL
Authors:Liaw, Y.-C, Amiraslanov, I, Wang, H, Lieber, A.
Deposit date:2007-07-13
Release date:2008-02-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Identification of CD46 binding sites within the adenovirus serotype 35 fiber knob
J.Virol., 81, 2007
6EIT
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BU of 6eit by Molmil
Coxsackievirus A24v in complex with the D1-D2 fragment of ICAM-1
Descriptor: Intercellular adhesion molecule 1, VP1, VP2, ...
Authors:Hurdiss, D.L, Ranson, N.A.
Deposit date:2017-09-19
Release date:2018-01-10
Last modified:2018-01-17
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Role of enhanced receptor engagement in the evolution of a pandemic acute hemorrhagic conjunctivitis virus.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4ONT
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BU of 4ont by Molmil
Ternary host recognition complex of complement factor H, C3d, and sialic acid
Descriptor: Complement C3d fragment, Complement factor H, GLYCEROL, ...
Authors:Blaum, B.S, Stehle, T.S.
Deposit date:2014-01-29
Release date:2014-11-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural basis for sialic acid-mediated self-recognition by complement factor H.
Nat.Chem.Biol., 11, 2015
6H9V
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BU of 6h9v by Molmil
Crystal structure of deaminated P domain from norovirus strain Saga GII-4 in complex with Fuc
Descriptor: MAGNESIUM ION, VP1, methyl alpha-L-fucopyranoside
Authors:Meyer, P.H.O, Blaum, B.S.
Deposit date:2018-08-06
Release date:2019-04-03
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:A post-translational modification of human Norovirus capsid protein attenuates glycan binding.
Nat Commun, 10, 2019
6EQ9
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BU of 6eq9 by Molmil
Crystal structure of JNK3 in complex with AMP-PCP
Descriptor: BETA-MERCAPTOETHANOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Macedo, J.T, Stehle, T, Blaum, B.S.
Deposit date:2017-10-12
Release date:2018-08-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Structural Optimization of a Pyridinylimidazole Scaffold: Shifting the Selectivity from p38 alpha Mitogen-Activated Protein Kinase to c-Jun N-Terminal Kinase 3.
ACS Omega, 3, 2018
6EKD
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BU of 6ekd by Molmil
Crystal structure of JNK3 in complex with a pyridinylimidazole inhibitor
Descriptor: 1,2-ETHANEDIOL, 4-(4-methyl-2-methylsulfanyl-1~{H}-imidazol-5-yl)-~{N}-(4-morpholin-4-ylphenyl)pyridin-2-amine, BETA-MERCAPTOETHANOL, ...
Authors:Macedo, J.T, Stehle, T, Blaum, B.S.
Deposit date:2017-09-26
Release date:2018-08-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Optimization of a Pyridinylimidazole Scaffold: Shifting the Selectivity from p38 alpha Mitogen-Activated Protein Kinase to c-Jun N-Terminal Kinase 3.
ACS Omega, 3, 2018
6EMH
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BU of 6emh by Molmil
Crystal structure of JNK3 in complex with a pyridinylimidazole inhibitor
Descriptor: 1,2-ETHANEDIOL, 4-(4-methyl-1~{H}-imidazol-5-yl)-~{N}-(4-morpholin-4-ylphenyl)pyridin-2-amine, BETA-MERCAPTOETHANOL, ...
Authors:Macedo, J.T, Stehle, T, Blaum, B.S.
Deposit date:2017-10-02
Release date:2018-08-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structural Optimization of a Pyridinylimidazole Scaffold: Shifting the Selectivity from p38 alpha Mitogen-Activated Protein Kinase to c-Jun N-Terminal Kinase 3.
ACS Omega, 3, 2018
1D3L
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BU of 1d3l by Molmil
D1D2-ICAM-1 FULLY GLYCOSYLATED, VARIATION OF D1-D2 INTERDOMAIN ANGLE IN DIFFERENT CRYSTAL STRUCTURES.
Descriptor: PROTEIN (INTERCELLULAR ADHESION MOLECULE-1)
Authors:Bella, J, Kolatkar, P.R, Rossmann, M.G.
Deposit date:1999-09-29
Release date:1999-12-01
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Structural studies of two rhinovirus serotypes complexed with fragments of their cellular receptor.
EMBO J., 18, 1999
3QUD
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BU of 3qud by Molmil
Human p38 MAP Kinase in Complex with 2-amino-phenylamino-benzophenone
Descriptor: Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside, {4-[(2-aminophenyl)amino]phenyl}(phenyl)methanone
Authors:Gruetter, C, Rauh, D.
Deposit date:2011-02-23
Release date:2012-04-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Resolving the selectivity problem for p38 mitogen activated protein (MAP) Kinase-inhibitors: Development of new highly potent inhibitors of p38 MAP kinase with an outstanding selectivity profile
To be Published
3QUE
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BU of 3que by Molmil
Human p38 MAP Kinase in Complex with Skepinone-L
Descriptor: 2-[(2,4-difluorophenyl)amino]-7-{[(2R)-2,3-dihydroxypropyl]oxy}-10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-one, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
Authors:Gruetter, C, Mayer-Wrangowski, S, Richters, A, Rauh, D.
Deposit date:2011-02-23
Release date:2012-01-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Skepinone-L is a selective p38 mitogen-activated protein kinase inhibitor.
Nat.Chem.Biol., 8, 2012
1D3E
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BU of 1d3e by Molmil
CRYO-EM STRUCTURE OF HUMAN RHINOVIRUS 16 (HRV16) COMPLEXED WITH A TWO-DOMAIN FRAGMENT OF ITS CELLULAR RECEPTOR, INTERCELLULAR ADHESION MOLECULE-1 (D1D2-ICAM-1). IMPLICATIONS FOR VIRUS-RECEPTOR INTERACTIONS. ALPHA CARBONS ONLY
Descriptor: PROTEIN (INTERCELLULAR ADHESION MOLECULE-1), PROTEIN (RHINOVIRUS 16 COAT PROTEIN VP1), PROTEIN (RHINOVIRUS 16 COAT PROTEIN VP2), ...
Authors:Bella, J, Rossmann, M.G.
Deposit date:1999-09-29
Release date:2000-01-19
Last modified:2024-04-17
Method:ELECTRON MICROSCOPY (28 Å)
Cite:Structural studies of two rhinovirus serotypes complexed with fragments of their cellular receptor.
EMBO J., 18, 1999
1D3I
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BU of 1d3i by Molmil
CRYO-EM STRUCTURE OF HUMAN RHINOVIRUS 14 (HRV14) COMPLEXED WITH A TWO-DOMAIN FRAGMENT OF ITS CELLULAR RECEPTOR, INTERCELLULAR ADHESION MOLECULE-1 (D1D2-ICAM-1). IMPLICATIONS FOR VIRUS-RECEPTOR INTERACTIONS. ALPHA CARBONS ONLY
Descriptor: PROTEIN (INTERCELLULAR ADHESION MOLECULE-1), PROTEIN (RHINOVIRUS 14 COAT PROTEIN VP1), PROTEIN (RHINOVIRUS 14 COAT PROTEIN VP2), ...
Authors:Bella, J, Rossmann, M.G.
Deposit date:1999-09-29
Release date:2000-01-19
Last modified:2024-04-17
Method:ELECTRON MICROSCOPY (26 Å)
Cite:Structural studies of two rhinovirus serotypes complexed with fragments of their cellular receptor.
EMBO J., 18, 1999

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