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2O6L
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BU of 2o6l by Molmil
Crystal Structure of the UDP-Glucuronic Acid Binding Domain of the Human Drug Metabolizing UDP-Glucuronosyltransferase 2B7
Descriptor: UDP-glucuronosyltransferase 2B7
Authors:Miley, M.J, Redinbo, M.R.
Deposit date:2006-12-07
Release date:2007-05-01
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of the Cofactor-Binding Domain of the Human Phase II Drug-Metabolism Enzyme UDP-Glucuronosyltransferase 2B7.
J.Mol.Biol., 369, 2007
1PQZ
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BU of 1pqz by Molmil
MURINE CYTOMEGALOVIRUS IMMUNOMODULATORY PROTEIN M144
Descriptor: Beta-2-microglobulin, MCMV M144
Authors:Miley, M.J, Fremont, D.H, Midwest Center for Structural Genomics (MCSG)
Deposit date:2003-06-19
Release date:2004-07-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:MURINE CYTOMEGALOVIRUS IMMUNOMODULATORY PROTEIN M144
To be Published
1RJZ
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BU of 1rjz by Molmil
Mhc Class I Natural Mutant H-2Kbm8 Heavy Chain Complexed With beta-2 Microglobulin and Herpies Simplex Virus Mutant Glycoprotein B Peptide
Descriptor: Beta-2-microglobulin, Glycoprotein B, H-2 class I histocompatibility antigen, ...
Authors:Miley, M.J, Messaoudi, I, Nikolich-Zugich, J, Fremont, D.H.
Deposit date:2003-11-20
Release date:2004-12-14
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Basis for the Restoration of TCR Recognition of an MHC Allelic Variant by Peptide Secondary Anchor Substitution
J.Exp.Med., 200, 2004
1RJY
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BU of 1rjy by Molmil
Mhc Class I Natural Mutant H-2Kbm8 Heavy Chain Complexed With beta-2 Microglobulin and Herpes Simplex Virus Glycoprotein B Peptide
Descriptor: Beta-2-microglobulin, Glycoprotein B, H-2 class I histocompatibility antigen, ...
Authors:Miley, M.J, Messaoudi, I, Nikolich-Zugich, J, Fremont, D.H.
Deposit date:2003-11-20
Release date:2004-12-14
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Basis for the Restoration of TCR Recognition of an MHC Allelic Variant by Peptide Secondary Anchor Substitution
J.Exp.Med., 200, 2004
1RK1
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BU of 1rk1 by Molmil
Mhc Class I Natural H-2Kb Heavy Chain Complexed With beta-2 Microglobulin and Herpes Simplex Virus Mutant Glycoprotein B Peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, Glycoprotein B, ...
Authors:Miley, M.J, Messaoudi, I, Nikolich-Zugich, J, Fremont, D.H.
Deposit date:2003-11-20
Release date:2004-12-14
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Basis for the Restoration of TCR Recognition of an MHC Allelic Variant by Peptide Secondary Anchor Substitution
J.Exp.Med., 200, 2004
1RK0
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BU of 1rk0 by Molmil
Mhc Class I H-2Kb Heavy Chain Complexed With beta-2 Microglobulin and Herpes Simplex Virus Glycoprotein B peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, Glycoprotein B, ...
Authors:Miley, M.J, Messaoudi, I, Nikolich-Zugich, J, Fremont, D.H.
Deposit date:2003-11-20
Release date:2004-12-14
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Structural Basis for the Restoration of TCR Recognition of an MHC Allelic Variant by Peptide Secondary Anchor Substitution
J.Exp.Med., 200, 2004
1FNE
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BU of 1fne by Molmil
HISTOCOMPATIBILITY ANTIGEN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, PROTEIN (MHC CLASS II I-EK, ALPHA CHAIN), ...
Authors:Miley, M.J, Nelson, C.A, Fremont, D.H.
Deposit date:2000-08-21
Release date:2001-03-07
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and functional consequences of altering a peptide MHC anchor residue.
J.Immunol., 166, 2001
1FNG
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BU of 1fng by Molmil
HISTOCOMPATIBILITY ANTIGEN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, PROTEIN (MHC CLASS II I-EK, ALPHA CHAIN), ...
Authors:Miley, M.J, Nelson, C.A, Fremont, D.H.
Deposit date:2000-08-21
Release date:2001-03-07
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and functional consequences of altering a peptide MHC anchor residue.
J.Immunol., 166, 2001
3ZY7
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BU of 3zy7 by Molmil
Crystal structure of computationally redesigned gamma-adaptin appendage domain forming a symmetric homodimer
Descriptor: AP-1 COMPLEX SUBUNIT GAMMA-1, DI(HYDROXYETHYL)ETHER, ISOPROPYL ALCOHOL
Authors:Stranges, P.B, Machius, M, Miley, M.J, Tripathy, A, Kuhlman, B.
Deposit date:2011-08-17
Release date:2011-12-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:Computational Design of a Symmetric Homodimer Using Beta-Strand Assembly.
Proc.Natl.Acad.Sci.USA, 108, 2011
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
3ONW
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BU of 3onw by Molmil
Structure of a G-alpha-i1 mutant with enhanced affinity for the RGS14 GoLoco motif.
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(i) subunit alpha-1, Regulator of G-protein signaling 14, ...
Authors:Bosch, D, Kimple, A.J, Sammond, D.W, Miley, M.J, Machius, M, Kuhlman, B, Willard, F.S, Siderovski, D.P.
Deposit date:2010-08-30
Release date:2010-11-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Structural Determinants of Affinity Enhancement between GoLoco Motifs and G-Protein {alpha} Subunit Mutants.
J.Biol.Chem., 286, 2011
4MH7
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BU of 4mh7 by Molmil
Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC1896
Descriptor: CHLORIDE ION, MAGNESIUM ION, N-butyl-2-(butylamino)-4-[(trans-4-hydroxycyclohexyl)amino]-N-methylpyrimidine-5-carboxamide, ...
Authors:Zhang, W, McIver, A, Stashko, M.A, Deryckere, D, Branchford, B.R, Hunter, D, Kireev, D.B, Miley, M.J, 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 (2.51 Å)
Cite:Discovery of Mer specific tyrosine kinase inhibitors for the treatment and prevention of thrombosis.
J.Med.Chem., 56, 2013
3V1A
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BU of 3v1a by Molmil
Crystal structure of de novo designed MID1-apo1
Descriptor: Computational design, MID1-apo1
Authors:Der, B.S, Machius, M, Miley, M.J, Kuhlman, B.
Deposit date:2011-12-09
Release date:2012-01-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Metal-mediated affinity and orientation specificity in a computationally designed protein homodimer.
J.Am.Chem.Soc., 134, 2012
3V1E
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BU of 3v1e by Molmil
Crystal structure of de novo designed MID1-zinc H12E mutant
Descriptor: Computational design, MID1-zinc H12E mutant, ZINC ION
Authors:Der, B.S, Machius, M, Miley, M.J, Kuhlman, B.
Deposit date:2011-12-09
Release date:2012-01-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.073 Å)
Cite:Metal-mediated affinity and orientation specificity in a computationally designed protein homodimer.
J.Am.Chem.Soc., 134, 2012
3V1F
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BU of 3v1f by Molmil
Crystal structure of de novo designed MID1-zinc H35E mutant
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Computational design, ...
Authors:Der, B.S, Machius, M, Miley, M.J, Kuhlman, B.
Deposit date:2011-12-09
Release date:2012-01-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.151 Å)
Cite:Metal-mediated affinity and orientation specificity in a computationally designed protein homodimer.
J.Am.Chem.Soc., 134, 2012
3V1C
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BU of 3v1c by Molmil
Crystal structure of de novo designed MID1-zinc
Descriptor: Computational design, MID1-zinc, L(+)-TARTARIC ACID, ...
Authors:Der, B.S, Machius, M, Miley, M.J, Kuhlman, B.
Deposit date:2011-12-09
Release date:2012-01-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.129 Å)
Cite:Metal-mediated affinity and orientation specificity in a computationally designed protein homodimer.
J.Am.Chem.Soc., 134, 2012
3V1D
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BU of 3v1d by Molmil
Crystal structure of de novo designed MID1-cobalt
Descriptor: COBALT (II) ION, Computational design, MID1-cobalt, ...
Authors:Der, B.S, Machius, M, Miley, M.J, Kuhlman, B.
Deposit date:2011-12-09
Release date:2012-01-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.239 Å)
Cite:Metal-mediated affinity and orientation specificity in a computationally designed protein homodimer.
J.Am.Chem.Soc., 134, 2012
3V1B
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BU of 3v1b by Molmil
Crystal structure of de novo designed MID1-apo2
Descriptor: Computational design, MID1-apo2, GLYCEROL
Authors:Der, B.S, Machius, M, Miley, M.J, Kuhlman, B.
Deposit date:2011-12-09
Release date:2012-01-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Metal-mediated affinity and orientation specificity in a computationally designed protein homodimer.
J.Am.Chem.Soc., 134, 2012
6MEP
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BU of 6mep by Molmil
Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC3437
Descriptor: CHLORIDE ION, MAGNESIUM ION, Tyrosine-protein kinase Mer, ...
Authors:Da, C, Zhang, D, Stashko, M.A, Cheng, A, Hunter, D, Norris-Drouin, J, Graves, L, Machius, M, Miley, M.J, DeRyckere, D, Earp, H.S, Graham, D.K, Frye, S.V, Wang, X, Kireev, D.
Deposit date:2018-09-06
Release date:2019-09-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.893 Å)
Cite:Data-Driven Construction of Antitumor Agents with Controlled Polypharmacology.
J.Am.Chem.Soc., 141, 2019
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
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
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
5C7I
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BU of 5c7i by Molmil
Mouse sperm Glyceraldehyde-3-phosphate dehydrogenase: apo enzyme
Descriptor: Glyceraldehyde-3-phosphate dehydrogenase, testis-specific
Authors:Danshina, P, Betts, L, O'Brien, D.
Deposit date:2015-06-24
Release date:2016-03-09
Last modified:2016-06-15
Method:X-RAY DIFFRACTION (2.0098 Å)
Cite:Structural analyses to identify selective inhibitors of glyceraldehyde 3-phosphate dehydrogenase-S, a sperm-specific glycolytic enzyme.
Mol. Hum. Reprod., 22, 2016
5C7O
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BU of 5c7o by Molmil
Structure of human testis-specific glyceraldehyde-3-phosphate dehydrogenase holo form with NAD+
Descriptor: Glyceraldehyde-3-phosphate dehydrogenase, testis-specific, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Betts, L, Machius, M, Danshina, P, O'Brien, D.
Deposit date:2015-06-24
Release date:2016-03-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.729 Å)
Cite:Structural analyses to identify selective inhibitors of glyceraldehyde 3-phosphate dehydrogenase-S, a sperm-specific glycolytic enzyme.
Mol. Hum. Reprod., 22, 2016

 

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