1PIF
 
 | | PIG ALPHA-AMYLASE | | Descriptor: | ALPHA-AMYLASE, CALCIUM ION, CHLORIDE ION | | Authors: | Machius, M, Vertesy, L, Huber, R, Wiegand, G. | | Deposit date: | 1996-06-15 | | Release date: | 1996-12-07 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Carbohydrate and protein-based inhibitors of porcine pancreatic alpha-amylase: structure analysis and comparison of their binding characteristics.
J.Mol.Biol., 260, 1996
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2BFF
 | | Reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal molecular switch | | Descriptor: | 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, ... | | Authors: | Machius, M, Wynn, R.M, Chuang, J.L, Tomchick, D.R, Brautigam, C.A, Chuang, D.T. | | Deposit date: | 2004-12-06 | | Release date: | 2006-02-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | A Versatile Conformational Switch Regulates Reactivity in Human Branched-Chain Alpha-Ketoacid Dehydrogenase.
Structure, 14, 2006
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5V5W
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1BVN
 | | PIG PANCREATIC ALPHA-AMYLASE IN COMPLEX WITH THE PROTEINACEOUS INHIBITOR TENDAMISTAT | | Descriptor: | CALCIUM ION, CHLORIDE ION, PROTEIN (ALPHA-AMYLASE), ... | | Authors: | Machius, M, Wiegand, G, Epp, O, Huber, R. | | Deposit date: | 1998-09-16 | | Release date: | 1998-09-23 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The crystal structure of porcine pancreatic alpha-amylase in complex with the microbial inhibitor Tendamistat.
J.Mol.Biol., 247, 1995
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5VPE
 | | Transcription factor FosB/JunD bZIP domain in complex with cognate DNA, type-I crystal | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DNA (5'-D(*CP*GP*TP*CP*GP*GP*TP*GP*AP*CP*TP*CP*AP*CP*CP*GP*AP*CP*G)-3'), ... | | 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 (2.053 Å) | | Cite: | Activator Protein-1: redox switch controlling structure and DNA-binding.
Nucleic Acids Res., 45, 2017
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1N11
 | | D34 REGION OF HUMAN ANKYRIN-R AND LINKER | | Descriptor: | Ankyrin, BROMIDE ION, CHLORIDE ION | | Authors: | Michaely, P, Tomchick, D.R, Machius, M, Anderson, R.G.W. | | Deposit date: | 2002-10-16 | | Release date: | 2002-12-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of a 12 ANK repeat stack from human ankyrinR
Embo J., 21, 2002
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1W15
 | | rat synaptotagmin 4 C2B domain in the presence of calcium | | Descriptor: | CALCIUM ION, CHLORIDE ION, SODIUM ION, ... | | Authors: | Dai, H, Shin, O.-H, Machius, M, Tomchick, D.R, Sudhof, T.C, Rizo, J. | | Deposit date: | 2004-06-16 | | Release date: | 2004-08-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Structural Basis for the Evolutionary Inactivation of Ca2+ Binding to Synaptotagmin 4
Nat.Struct.Mol.Biol., 11, 2004
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1W16
 | | rat synaptotagmin 4 C2B domain in the absence of calcium | | Descriptor: | CHLORIDE ION, SODIUM ION, SYNAPTOTAGMIN IV | | Authors: | Dai, H, Shin, O.-H, Machius, M, Tomchick, D.R, Sudhof, T.C, Rizo, J. | | Deposit date: | 2004-06-16 | | Release date: | 2004-08-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Basis for the Evolutionary Inactivation of Ca2+ Binding to Synaptotagmin 4
Nat.Struct.Mol.Biol., 11, 2004
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3KY9
 | | 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
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7UCC
 | | Transcription factor FosB/JunD bZIP domain in the reduced form | | Descriptor: | CHLORIDE ION, ETHANOL, Protein fosB, ... | | Authors: | Kumar, A, Machius, M.C, Rudenko, G. | | Deposit date: | 2022-03-16 | | Release date: | 2023-01-25 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Chemically targeting the redox switch in AP1 transcription factor Delta FOSB.
Nucleic Acids Res., 50, 2022
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7UCD
 | | Transcription factor FosB/JunD bZIP domain covalently modified with the cysteine-targeting alpha-haloketone compound Z2159931480 | | Descriptor: | 7-acetyl-4-methoxy-1-benzofuran-3(2H)-one, CHLORIDE ION, Protein fosB, ... | | Authors: | Kumar, A, Machius, M.C, Rudenko, G. | | Deposit date: | 2022-03-16 | | Release date: | 2023-01-25 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.21 Å) | | Cite: | Chemically targeting the redox switch in AP1 transcription factor Delta FOSB.
Nucleic Acids Res., 50, 2022
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3ZY7
 | | 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
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4FID
 | | 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
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5K0K
 | | 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
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5K0X
 | | 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
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4GOU
 | | 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
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2J9F
 | | 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
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6NYT
 | | 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
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6NYC
 | | 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
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5C7L
 | | Structure of human testis-specific glyceraldehyde-3-phosphate dehydrogenase apo form | | Descriptor: | Glyceraldehyde-3-phosphate dehydrogenase, testis-specific | | Authors: | Betts, L, Machius, M, Danshina, P, O'Brien, D. | | Deposit date: | 2015-06-24 | | Release date: | 2016-03-09 | | Last modified: | 2019-12-11 | | Method: | X-RAY DIFFRACTION (1.862 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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5C7O
 | | 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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3ONW
 | | 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
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3PJL
 | | The crystal structure of Tp34 bound to Co (II) ion at pH 7.5 | | Descriptor: | 1,2-ETHANEDIOL, 34 kDa membrane antigen, COBALT (II) ION, ... | | Authors: | Brautigam, C.A, Deka, R.K, Tomchick, D.R, Machius, M, Norgard, M.V. | | Deposit date: | 2010-11-10 | | Release date: | 2011-11-02 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Characterization of the Tp34 lipoprotein from Treponema pallidum suggests a role in transition metal homeostasis
To be Published
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3PJN
 | | The crystal structure of Tp34 bound to Zn(II) ion at pH 7.5 | | Descriptor: | 1,2-ETHANEDIOL, 34 kDa membrane antigen, SULFATE ION, ... | | Authors: | Brautigam, C.A, Deka, R.K, Tomchick, D.R, Machius, M, Norgard, M.V. | | Deposit date: | 2010-11-10 | | Release date: | 2011-11-02 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Characterization of the Tp34 lipoprotein from Treponema pallidum suggests a role in transition metal homeostasis
To be Published
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1JPZ
 | | Crystal structure of a complex of the heme domain of P450BM-3 with N-Palmitoylglycine | | Descriptor: | BIFUNCTIONAL P-450:NADPH-P450 REDUCTASE, N-PALMITOYLGLYCINE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Haines, D.C, Tomchick, D.R, Machius, M, Peterson, J.A. | | Deposit date: | 2001-08-03 | | Release date: | 2001-11-09 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Pivotal role of water in the mechanism of P450BM-3.
Biochemistry, 40, 2001
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