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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1NF3
| Structure of Cdc42 in a complex with the GTPase-binding domain of the cell polarity protein, Par6 | Descriptor: | G25K GTP-binding protein, placental isoform, MAGNESIUM ION, ... | Authors: | Garrard, S.M, Capaldo, C.T, Gao, L, Rosen, M.K, Macara, I.G, Tomchick, D.R. | Deposit date: | 2002-12-12 | Release date: | 2003-03-04 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of Cdc42 in a complex with the GTPase-binding domain of the cell polarity protein, Par6 Embo J., 22, 2003
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1O75
| Tp47, the 47-Kilodalton Lipoprotein of Treponema pallidum | Descriptor: | 2,3-di-O-sulfo-alpha-D-glucopyranose-(1-6)-2,3-di-O-sulfo-alpha-D-glucopyranose, 47 KDA MEMBRANE ANTIGEN, XENON | Authors: | Deka, R.K, Machius, M, Norgard, M.V, Tomchick, D.R. | Deposit date: | 2002-10-23 | Release date: | 2002-11-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structure of the 47-kDa lipoprotein of Treponema pallidum reveals a novel penicillin-binding protein. J. Biol. Chem., 277, 2002
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1U3D
| Crystal Structure of the PHR domain of Cryptochrome 1 from Arabidopsis thaliana with AMPPNP bound | Descriptor: | CHLORIDE ION, Cryptochrome 1 apoprotein, ETHYL DIMETHYL AMMONIO PROPANE SULFONATE, ... | Authors: | Brautigam, C.A, Smith, B.S, Ma, Z, Palnitkar, M, Tomchick, D.R, Machius, M, Deisenhofer, J. | Deposit date: | 2004-07-21 | Release date: | 2004-08-24 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structure of the photolyase-like domain of cryptochrome 1 from Arabidopsis thaliana. Proc.Natl.Acad.Sci.USA, 101, 2004
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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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1XS5
| The Crystal Structure of Lipoprotein Tp32 from Treponema pallidum | Descriptor: | METHIONINE, Membrane lipoprotein TpN32 | Authors: | Deka, R.K, Neil, L, Hagman, K.E, Machius, M, Tomchick, D.R, Brautigam, C.A, Norgard, M.V. | Deposit date: | 2004-10-18 | Release date: | 2004-11-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural evidence that the 32-kilodalton lipoprotein (Tp32) of Treponema pallidum is an L-methionine-binding protein J.Biol.Chem., 279, 2004
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1Y64
| Bni1p Formin Homology 2 Domain complexed with ATP-actin | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Otomo, T, Tomchick, D.R, Otomo, C, Panchal, S.C, Machius, M, Rosen, M.K. | Deposit date: | 2004-12-03 | Release date: | 2005-01-18 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Structural basis of actin filament nucleation and processive capping by a formin homology 2 domain Nature, 433, 2005
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1ZMD
| Crystal Structure of Human dihydrolipoamide dehydrogenase complexed to NADH | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Dihydrolipoyl dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Brautigam, C.A, Chuang, J.L, Tomchick, D.R, Machius, M, Chuang, D.T. | Deposit date: | 2005-05-10 | Release date: | 2005-06-28 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Crystal Structure of Human Dihydrolipoamide Dehydrogenase: NAD+/NADH Binding and the Structural Basis of Disease-causing Mutations J.Mol.Biol., 350, 2005
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1ZOA
| Crystal Structure Of A328V Mutant Of The Heme Domain Of P450Bm-3 With N-Palmitoylglycine | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bifunctional P-450:NADPH-P450 reductase, GLYCEROL, ... | Authors: | Hegda, A, Chen, B, Haines, D.C, Bondlela, M, Mullin, D, Graham, S.E, Tomchick, D.R, Machius, M, Peterson, J.A. | Deposit date: | 2005-05-12 | Release date: | 2006-08-01 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | A single active-site mutation of P450BM-3 dramatically enhances substrate binding and rate of product formation. Biochemistry, 50, 2011
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1ZO4
| Crystal Structure Of A328S Mutant Of The Heme Domain Of P450BM-3 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bifunctional P-450:NADPH-P450 reductase, GLYCEROL, ... | Authors: | Hegda, A, Chen, B, Haines, D.C, Bondlela, M, Mullin, D, Graham, S.E, Tomchick, D.R, Machius, M, Peterson, J.A. | Deposit date: | 2005-05-12 | Release date: | 2006-08-01 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | A single active-site mutation of P450BM-3 dramatically enhances substrate binding and rate of product formation. Biochemistry, 50, 2011
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1ZMC
| Crystal Structure of Human dihydrolipoamide dehydrogenase complexed to NAD+ | Descriptor: | Dihydrolipoyl dehydrogenase, mitochondrial, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Brautigam, C.A, Chuang, J.L, Tomchick, D.R, Machius, M, Chuang, D.T. | Deposit date: | 2005-05-10 | Release date: | 2005-06-28 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Crystal Structure of Human Dihydrolipoamide Dehydrogenase: NAD(+)/NADH Binding and the Structural Basis of Disease-causing Mutations J.Mol.Biol., 350, 2005
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1ZO9
| Crystal Structure Of The Wild Type Heme Domain Of P450BM-3 with N-palmitoylmethionine | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bifunctional P-450:NADPH-P450 reductase, GLYCEROL, ... | Authors: | Hegda, A, Chen, B, Tomchick, D.R, Bondlela, M, Haines, D.C, Schaffer, N, Machius, M, Graham, S.E, Peterson, J.A. | Deposit date: | 2005-05-12 | Release date: | 2006-08-01 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Interactions of substrates at the surface of P450s can greatly enhance substrate potency. Biochemistry, 46, 2007
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1FHG
| HIGH RESOLUTION REFINEMENT OF TELOKIN | Descriptor: | TELOKIN | Authors: | Tomchick, D.R, Minor, W, Kiyatkin, A, Lewinski, K, Somlyo, A.V, Somlyo, A.P. | Deposit date: | 2000-08-01 | Release date: | 2000-08-23 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | X-ray structure determination of telokin, the C-terminal domain of myosin light chain kinase, at 2.8 A resolution. J.Mol.Biol., 227, 1992
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4RX0
| Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM265 | Descriptor: | 2-(1,1-difluoroethyl)-5-methyl-N-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | Authors: | Deng, X, Phillips, M, Tomchick, D. | Deposit date: | 2014-12-08 | Release date: | 2015-07-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | A long-duration dihydroorotate dehydrogenase inhibitor (DSM265) for prevention and treatment of malaria. Sci Transl Med, 7, 2015
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5BOO
| Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM265 | Descriptor: | 2-(1,1-difluoroethyl)-5-methyl-N-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | Authors: | Phillips, M, Deng, X, Tomchick, D. | Deposit date: | 2015-05-27 | Release date: | 2015-07-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A long-duration dihydroorotate dehydrogenase inhibitor (DSM265) for prevention and treatment of malaria. Sci Transl Med, 7, 2015
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7UT5
| Acinetobacter baumannii dihydroorotate dehydrogenase bound with inhibitor DSM186 | Descriptor: | (4R)-7-methyl-N-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl]imidazo[1,2-a]pyrimidin-5-amine, Dihydroorotate dehydrogenase (quinone), FLAVIN MONONUCLEOTIDE, ... | Authors: | Deng, X, Phillips, M, Tomchick, D. | Deposit date: | 2022-04-26 | Release date: | 2022-12-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Repurposed dihydroorotate dehydrogenase inhibitors with efficacy against drug-resistant Acinetobacter baumannii. Proc.Natl.Acad.Sci.USA, 119, 2022
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5FI8
| Crystal structure of plasmodium falciparum dihydroorotate dehydrogenase bounded with DSM422 (Tetrahydro-2-naphthyl and 2-indanyl triazolopyrimidine) | Descriptor: | 2-[1,1-bis(fluoranyl)ethyl]-~{N}-[(2~{S})-7-bromanyl-1,2,3,4-tetrahydronaphthalen-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | Authors: | Deng, X, Kokkonda, S, Tomchick, D, Phillips, M. | Deposit date: | 2015-12-22 | Release date: | 2016-05-18 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Tetrahydro-2-naphthyl and 2-Indanyl Triazolopyrimidines Targeting Plasmodium falciparum Dihydroorotate Dehydrogenase Display Potent and Selective Antimalarial Activity. J.Med.Chem., 59, 2016
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2N1T
| Dynamic binding mode of a synaptotagmin-1-SNARE complex in solution | Descriptor: | Synaptosomal-associated protein 25, Synaptotagmin-1, Syntaxin-1A, ... | Authors: | Brewer, K, Bacaj, T, Cavalli, A, Camilloni, C, Swarbrick, J, Liu, J, Zhou, A, Zhou, P, Barlow, N, Xu, J, Seven, A, Prinslow, E, Voleti, R, Haussinger, D, Bonvin, A, Tomchick, D, Vendruscolo, M, Graham, B, Sudhof, T, Rizo, J. | Deposit date: | 2015-04-21 | Release date: | 2015-06-03 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Dynamic binding mode of a Synaptotagmin-1-SNARE complex in solution. Nat.Struct.Mol.Biol., 22, 2015
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4DI3
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4DI4
| Crystal structure of a 3:1 complex of Treponema pallidum TatP(T) (Tp0957) bound to TatT (Tp0956) | Descriptor: | TETRAETHYLENE GLYCOL, TRIETHYLENE GLYCOL, TatP(T) (Tp0957), ... | Authors: | Brautigam, C.A, Deka, R.K, Norgard, M.V. | Deposit date: | 2012-01-30 | Release date: | 2012-05-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.714 Å) | Cite: | Structural and Thermodynamic Characterization of the Interaction between Two Periplasmic Treponema pallidum Lipoproteins that are Components of a TPR-Protein-Associated TRAP Transporter (TPAT). J.Mol.Biol., 420, 2012
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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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7KH2
| Structure of N-citrylornithine decarboxylase bound with PLP | Descriptor: | GLYCEROL, N-citrylornithine decarboxylase, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Deng, X, Tomchick, D, Phillips, M, Michael, A. | Deposit date: | 2020-10-19 | Release date: | 2020-12-16 | Last modified: | 2021-07-28 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Alternative pathways utilize or circumvent putrescine for biosynthesis of putrescine-containing rhizoferrin. J.Biol.Chem., 296, 2020
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7L0K
| Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM784 (3-(1-(3-methyl-4-((6-(trifluoromethyl)pyridin-3-yl)methyl)-1H-pyrrole-2-carboxamido)ethyl)-1H-pyrazole-5-carboxamide) | Descriptor: | 3-{(1R)-1-[(3-methyl-4-{[6-(trifluoromethyl)pyridin-3-yl]methyl}-1H-pyrrole-2-carbonyl)amino]ethyl}-1H-pyrazole-5-carboxamide, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | Authors: | Deng, X, Phillips, M, Tomchick, D. | Deposit date: | 2020-12-11 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Potent Antimalarials with Development Potential Identified by Structure-Guided Computational Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series. J.Med.Chem., 64, 2021
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7KYK
| Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM589 (ethyl 3-methyl-4-((4-(trifluoromethyl)benzo[d]oxazol-7-yl)methyl)-1H-pyrrole-2-carboxylate) | Descriptor: | Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ... | Authors: | Deng, X, Phillips, M, Tomchick, D. | Deposit date: | 2020-12-08 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Potent Antimalarials with Development Potential Identified by Structure-Guided Computational Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series. J.Med.Chem., 64, 2021
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