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2O6F
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BU of 2o6f by Molmil
Structure of metal- free rTp34 from Treponema pallidum
Descriptor: 1,2-ETHANEDIOL, 34 kDa membrane antigen, CHLORIDE ION, ...
Authors:Machius, M, Brautigam, C.A, Deka, R.K, Tomchick, D.R, Lumpkins, S.B, Norgard, M.V.
Deposit date:2006-12-07
Release date:2006-12-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Crystal structure of the Tp34 (TP0971) lipoprotein of treponema pallidum: implications of its metal-bound state and affinity for human lactoferrin.
J.Biol.Chem., 282, 2007
2O6D
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BU of 2o6d by Molmil
Structure of native rTp34 from Treponema pallidum
Descriptor: 1,2-ETHANEDIOL, 34 kDa membrane antigen, CHLORIDE ION, ...
Authors:Machius, M, Brautigam, C.A, Deka, R.K, Tomchick, D.R, Lumpkins, S.B, Norgard, M.V.
Deposit date:2006-12-07
Release date:2006-12-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Crystal structure of the Tp34 (TP0971) lipoprotein of treponema pallidum: implications of its metal-bound state and affinity for human lactoferrin.
J.Biol.Chem., 282, 2007
2O6E
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BU of 2o6e by Molmil
Structure of native rTp34 from Treponema pallidum from zinc-soaked crystals
Descriptor: 1,2-ETHANEDIOL, 34 kDa membrane antigen, CHLORIDE ION, ...
Authors:Machius, M, Brautigam, C.A, Deka, R.K, Tomchick, D.R, Lumpkins, S.B, Norgard, M.V.
Deposit date:2006-12-07
Release date:2006-12-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the Tp34 (TP0971) lipoprotein of treponema pallidum: implications of its metal-bound state and affinity for human lactoferrin.
J.Biol.Chem., 282, 2007
2O6C
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BU of 2o6c by Molmil
Structure of selenomethionyl rTp34 from Treponema pallidum
Descriptor: 1,2-ETHANEDIOL, 34 kDa membrane antigen, CHLORIDE ION, ...
Authors:Machius, M, Brautigam, C.A, Deka, R.K, Tomchick, D.R, Lumpkins, S.B, Norgard, M.V.
Deposit date:2006-12-07
Release date:2006-12-26
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of the Tp34 (TP0971) lipoprotein of treponema pallidum: implications of its metal-bound state and affinity for human lactoferrin.
J.Biol.Chem., 282, 2007
3KY9
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BU of 3ky9 by Molmil
Autoinhibited Vav1
Descriptor: Proto-oncogene vav, ZINC ION
Authors:Tomchick, D.R, Rosen, M.K, Machius, M, Yu, B.
Deposit date:2009-12-04
Release date:2010-02-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.731 Å)
Cite:Structural and Energetic Mechanisms of Cooperative Autoinhibition and Activation of Vav1
Cell(Cambridge,Mass.), 140, 2010
3TCP
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BU of 3tcp by Molmil
Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC569
Descriptor: 1-[(trans-4-aminocyclohexyl)methyl]-N-butyl-3-(4-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine, CALCIUM ION, CHLORIDE ION, ...
Authors:Liu, J, Yang, C, Simpson, C, DeRyckere, D, Van Deusen, A, Miley, M, Kireev, D.B, Norris-Drouin, J, Sather, S, Hunter, D, Patel, H.S, Janzen, W.P, Machius, M, Johnson, G, Earp, H.S, Graham, D.K, Frye, S, Wang, X.
Deposit date:2011-08-09
Release date:2012-06-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Discovery of Novel Small Molecule Mer Kinase Inhibitors for the Treatment of Pediatric Acute Lymphoblastic Leukemia.
ACS Med Chem Lett, 3, 2012
2F5Z
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BU of 2f5z by Molmil
Crystal Structure of Human Dihydrolipoamide Dehydrogenase (E3) Complexed to the E3-Binding Domain of Human E3-Binding Protein
Descriptor: Dihydrolipoyl dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, Pyruvate dehydrogenase protein X component, ...
Authors:Brautigam, C.A, Chuang, J.L, Wynn, R.M, Tomchick, D.R, Machius, M, Chuang, D.T.
Deposit date:2005-11-28
Release date:2006-01-17
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Structural Insight into Interactions between Dihydrolipoamide Dehydrogenase (E3) and E3 Binding Protein of Human Pyruvate Dehydrogenase Complex.
Structure, 14, 2006
2FQX
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BU of 2fqx by Molmil
PnrA from Treponema pallidum complexed with guanosine
Descriptor: GUANOSINE, Membrane lipoprotein tmpC
Authors:Brautigam, C.A, Deka, R.K, Tomchick, D.R, Machius, M, Norgard, M.V.
Deposit date:2006-01-18
Release date:2006-02-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The PnrA (Tp0319; TmpC) lipoprotein represents a new family of bacterial purine nucleoside receptor encoded within an ATP-binding cassette (ABC)-like operon in Treponema pallidum
J.Biol.Chem., 281, 2006
3U3B
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BU of 3u3b by Molmil
Crystal Structure of Computationally Redesigned Four-Helix Bundle
Descriptor: computationally designed four-helix bundle protein
Authors:Murphy, G.S, Machius, M.
Deposit date:2011-10-05
Release date:2012-06-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.854 Å)
Cite:Increasing sequence diversity with flexible backbone protein design: the complete redesign of a protein hydrophobic core.
Structure, 20, 2012
5V5V
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BU of 5v5v by Molmil
Complex of NLGN2 with MDGA1 Ig1-Ig2
Descriptor: MAM domain-containing glycosylphosphatidylinositol anchor protein 1, Neuroligin-2
Authors:Gangwar, S.P, Machius, M, Rudenko, G.
Deposit date:2017-03-15
Release date:2017-07-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (4.11 Å)
Cite:Molecular Mechanism of MDGA1: Regulation of Neuroligin 2:Neurexin Trans-synaptic Bridges.
Neuron, 94, 2017
5VPB
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BU of 5vpb by Molmil
Transcription factor FosB/JunD bZIP domain in its oxidized form, type-I crystal
Descriptor: CHLORIDE ION, Protein fosB, Transcription factor jun-D
Authors:Yin, Z, Machius, M, Rudenko, G.
Deposit date:2017-05-04
Release date:2017-09-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.691 Å)
Cite:Activator Protein-1: redox switch controlling structure and DNA-binding.
Nucleic Acids Res., 45, 2017
5VPD
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BU of 5vpd by Molmil
Transcription factor FosB/JunD bZIP domain in its oxidized form, type-III crystal
Descriptor: CHLORIDE ION, Protein fosB, SODIUM ION, ...
Authors:Yin, Z, Machius, M, Rudenko, G.
Deposit date:2017-05-04
Release date:2017-09-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Activator Protein-1: redox switch controlling structure and DNA-binding.
Nucleic Acids Res., 45, 2017
6NYT
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BU of 6nyt by Molmil
Munc13-1 C2B-domain, calcium bound
Descriptor: CALCIUM ION, CHLORIDE ION, GLYCEROL, ...
Authors:Tomchick, D.R, Rizo, J, Machius, M, Lu, J.
Deposit date:2019-02-12
Release date:2019-02-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.369 Å)
Cite:Munc13 C2B domain is an activity-dependent Ca2+ regulator of synaptic exocytosis.
Nat. Struct. Mol. Biol., 17, 2010
6NYC
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BU of 6nyc by Molmil
Munc13-1 C2B-domain, calcium free
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Munc13-1
Authors:Tomchick, D.R, Rizo, J, Machius, M, Lu, J.
Deposit date:2019-02-11
Release date:2019-02-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.893 Å)
Cite:Munc13 C2B domain is an activity-dependent Ca2+ regulator of synaptic exocytosis.
Nat. Struct. Mol. Biol., 17, 2010
2J9F
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BU of 2j9f by Molmil
Human branched-chain alpha-ketoacid dehydrogenase-decarboxylase E1b
Descriptor: 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, C2-1-HYDROXY-3-METHYL-PROPYL-THIAMIN DIPHOSPHATE, ...
Authors:Jun, L, Machius, M, Chuang, J.L, Wynn, R.M, Chuang, D.T.
Deposit date:2006-11-07
Release date:2007-02-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:The Two Active Sites in Human Branched-Chain Alpha- Keto Acid Dehydrogenase Operate Independently without an Obligatory Alternating-Site Mechanism.
J.Biol.Chem., 282, 2007
5T09
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BU of 5t09 by Molmil
The structure of the type III effector HopBA1
Descriptor: CHLORIDE ION, POTASSIUM ION, Type III secretion system effector HopBA1
Authors:Cherkis, K, Machius, M, Nishimura, M.T, Dangl, J.L.
Deposit date:2016-08-15
Release date:2017-02-01
Last modified:2019-11-20
Method:X-RAY DIFFRACTION (2.013 Å)
Cite:TIR-only protein RBA1 recognizes a pathogen effector to regulate cell death in Arabidopsis.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
2UXN
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BU of 2uxn by Molmil
Structural Basis of Histone Demethylation by LSD1 Revealed by Suicide Inactivation
Descriptor: CHLORIDE ION, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Yang, M, Culhane, J.C, Szewczuk, L.M, Gocke, C.B, Brautigam, C.A, Tomchick, D.R, Machius, M, Cole, P.A, Yu, H.
Deposit date:2007-03-28
Release date:2007-05-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Structural Basis of Histone Demethylation by Lsd1 Revealed by Suicide Inactivation.
Nat.Struct.Mol.Biol., 14, 2007
2UXX
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BU of 2uxx by Molmil
Human LSD1 Histone Demethylase-CoREST in complex with an FAD- tranylcypromine adduct
Descriptor: CHLORIDE ION, FAD-trans-2-Phenylcyclopropylamine Adduct, GLYCEROL, ...
Authors:Yang, M, Culhane, J.C, Machius, M, Cole, P.A, Yu, H.
Deposit date:2007-03-30
Release date:2007-08-21
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Structural Basis for the Inhibition of the Lsd1 Histone Demethylase by the Antidepressant Trans-2-Phenylcyclopropylamine.
Biochemistry, 46, 2007
1U5B
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BU of 1u5b by Molmil
Crystal structure of the human mitochondrial branched-chain alpha-ketoacid dehydrogenase
Descriptor: 2-oxoisovalerate dehydrogenase alpha subunit, 2-oxoisovalerate dehydrogenase beta subunit, GLYCEROL, ...
Authors:Wynn, R.M, Kato, M, Machius, M, Chuang, J.L, Li, J, Tomchick, D.R, Chuang, D.T.
Deposit date:2004-07-27
Release date:2004-11-23
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Molecular mechanism for regulation of the human mitochondrial branched-chain alpha-ketoacid dehydrogenase complex by phosphorylation
Structure, 12, 2004
5K0K
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BU of 5k0k by Molmil
Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC2434
Descriptor: 15-{4-[(4-methylpiperazin-1-yl)methyl]phenyl}-4,5,6,7,9,10,11,12-octahydro-2,16-(azenometheno)pyrrolo[2,1-d][1,3,5,9]te traazacyclotetradecin-8(3H)-one, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Wang, X, Liu, J, Zhang, W, Stashko, M.A, Nichols, J, DeRyckere, D, Miley, M.J, Norris-Drouin, J, Chen, Z, Machius, M, Wood, E, Graham, D.K, Earp, H.S, Graham, K, Kireev, D, Frye, S.V.
Deposit date:2016-05-17
Release date:2017-01-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.545 Å)
Cite:Design and Synthesis of Novel Macrocyclic Mer Tyrosine Kinase Inhibitors.
ACS Med Chem Lett, 7, 2016
5K0X
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BU of 5k0x by Molmil
Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC2541
Descriptor: (7S)-7-amino-N-[(4-fluorophenyl)methyl]-8-oxo-2,9,16,18,21-pentaazabicyclo[15.3.1]henicosa-1(21),17,19-triene-20-carboxamide, CHLORIDE ION, Tyrosine-protein kinase Mer
Authors:McIver, A.L, Zhang, W, Liu, Q, Jiang, X, Stashko, M.A, Nichols, J, Miley, M.J, Norris-Drouin, J, Machius, M, DeRyckere, D, Wood, E, Graham, D.K, Earp, H.S, Kireev, D, Frye, S.V, Wang, X.
Deposit date:2016-05-17
Release date:2017-02-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.231 Å)
Cite:Discovery of Macrocyclic Pyrimidines as MerTK-Specific Inhibitors.
ChemMedChem, 12, 2017
4M3Q
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BU of 4m3q by Molmil
Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC1917
Descriptor: CHLORIDE ION, MAGNESIUM ION, Tyrosine-protein kinase Mer, ...
Authors:Zhang, W, Zhang, D, Stashko, M.A, DeRyckere, D, Hunter, D, Kireev, D.B, Miley, M, Cummings, C, Lee, M, Norris-Drouin, J, Stewart, W.M, Sather, S, Zhou, Y, Kirkpatrick, G, Machius, M, Janzen, W.P, Earp, H.S, Graham, D.K, Frye, S, Wang, X.
Deposit date:2013-08-06
Release date:2013-11-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.718 Å)
Cite:Pseudo-Cyclization through Intramolecular Hydrogen Bond Enables Discovery of Pyridine Substituted Pyrimidines as New Mer Kinase Inhibitors.
J.Med.Chem., 56, 2013
4GOU
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BU of 4gou by Molmil
Crystal structure of an RGS-RhoGEF from Entamoeba histolytica
Descriptor: EhRGS-RhoGEF
Authors:Bosch, D.E, Kimple, A.J, Muller, R.E, Willard, F.S, Machius, M, Siderovski, D.P.
Deposit date:2012-08-20
Release date:2013-01-09
Last modified:2013-01-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Determinants of RGS-RhoGEF Signaling Critical to Entamoeba histolytica Pathogenesis.
Structure, 21, 2013
4FID
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BU of 4fid by Molmil
Crystal structure of a heterotrimeric G-Protein subunit from entamoeba histolytica, EHG-ALPHA-1
Descriptor: G protein alpha subunit, GUANOSINE-5'-DIPHOSPHATE
Authors:Bosch, D.E, Kimple, A.J, Muller, R.E, Gigure, P.M, Willard, F.S, Machius, M, Temple, B.R, Siderovski, D.P.
Deposit date:2012-06-08
Release date:2012-11-28
Last modified:2013-06-26
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Heterotrimeric G-protein Signaling Is Critical to Pathogenic Processes in Entamoeba histolytica.
Plos Pathog., 8, 2012
4MHA
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BU of 4mha by Molmil
Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC1817
Descriptor: 2-(butylamino)-4-[(trans-4-hydroxycyclohexyl)amino]-N-(4-sulfamoylbenzyl)pyrimidine-5-carboxamide, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Zhang, W, Mciver, A, Stashko, M.A, Deryckere, D, Branchford, B.R, Hunter, D, Kireev, D.B, Miley, D.B.M, Norris-Drouin, J, Stewart, W.M, Lee, M, Sather, S, Zhou, Y, Dipaola, J.A, Machius, M, Janzen, W.P, Earp, H.S, Graham, D.K, Frye, S, Wang, X.
Deposit date:2013-08-29
Release date:2014-05-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Discovery of Mer specific tyrosine kinase inhibitors for the treatment and prevention of thrombosis.
J.Med.Chem., 56, 2013

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