6CX0
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![BU of 6cx0 by Molmil](/molmil-images/mine/6cx0) | Structure of AtTPC1 D376A | Descriptor: | (1S,3R)-1-(3-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid, CALCIUM ION, Two pore calcium channel protein 1 | Authors: | Kintzer, A.F, Stroud, R.M. | Deposit date: | 2018-04-02 | Release date: | 2018-09-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.501 Å) | Cite: | Structural basis for activation of voltage sensor domains in an ion channel TPC1. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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4TRJ
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![BU of 4trj by Molmil](/molmil-images/mine/4trj) | Crystal structure of Mycobacterium tuberculosis enoyl reductase (INHA) complexed with N-(3-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide, refined with new ligand restraints | Descriptor: | (3S)-N-(3-BROMOPHENYL)-1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-CARBOXAMIDE, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | He, X, Alian, A, Stroud, R.M, Ortiz de Montellano, P.R. | Deposit date: | 2014-06-17 | Release date: | 2014-08-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Pyrrolidine carboxamides as a novel class of inhibitors of enoyl acyl carrier protein reductase from Mycobacterium tuberculosis J. Med. Chem., 2006
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4TZK
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![BU of 4tzk by Molmil](/molmil-images/mine/4tzk) | Crystal structure of Mycobacterium tuberculosis enoyl reductase (INHA) complexed WITH 1-CYCLOHEXYL-N-(3,5-DICHLOROPHENYL)-5-OXOPYRROLIDINE-3-CARBOXAMIDE | Descriptor: | (3S)-1-CYCLOHEXYL-N-(3,5-DICHLOROPHENYL)-5-OXOPYRROLIDINE-3-CARBOXAMIDE, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | He, X, Alian, A, Stroud, R.M, Ortiz de Montellano, P.R. | Deposit date: | 2014-07-10 | Release date: | 2014-08-20 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Pyrrolidine carboxamides as a novel class of inhibitors of enoyl acyl carrier protein reductase from Mycobacterium tuberculosis J. Med. Chem., 2006
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4GEV
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![BU of 4gev by Molmil](/molmil-images/mine/4gev) | E. coli thymidylate synthase Y209W variant in complex with substrate and a cofactor analog | Descriptor: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-deoxy-5'-uridylic acid, Thymidylate synthase | Authors: | Newby, Z, Lee, T.T, Finer-Moore, J, Stroud, R.M. | Deposit date: | 2012-08-02 | Release date: | 2012-08-29 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | A remote mutation affects the hydride transfer by disrupting concerted protein motions in thymidylate synthase. J.Am.Chem.Soc., 134, 2012
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2NG1
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![BU of 2ng1 by Molmil](/molmil-images/mine/2ng1) | N AND GTPASE DOMAINS OF THE SIGNAL SEQUENCE RECOGNITION PROTEIN FFH FROM THERMUS AQUATICUS | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Freymann, D.M, Stroud, R.M, Walter, P. | Deposit date: | 1998-09-11 | Release date: | 1999-07-30 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Functional changes in the structure of the SRP GTPase on binding GDP and Mg2+GDP. Nat.Struct.Biol., 6, 1999
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2TGD
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![BU of 2tgd by Molmil](/molmil-images/mine/2tgd) | |
2TSC
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![BU of 2tsc by Molmil](/molmil-images/mine/2tsc) | STRUCTURE, MULTIPLE SITE BINDING, AND SEGMENTAL ACCOMODATION IN THYMIDYLATE SYNTHASE ON BINDING D/UMP AND AN ANTI-FOLATE | Descriptor: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE | Authors: | Montfort, W.R, Stroud, R.M. | Deposit date: | 1991-07-03 | Release date: | 1991-10-15 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structure, multiple site binding, and segmental accommodation in thymidylate synthase on binding dUMP and an anti-folate. Biochemistry, 29, 1990
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2IST
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![BU of 2ist by Molmil](/molmil-images/mine/2ist) | |
2KCE
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![BU of 2kce by Molmil](/molmil-images/mine/2kce) | |
1DNA
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![BU of 1dna by Molmil](/molmil-images/mine/1dna) | D221(169)N MUTANT DOES NOT PROMOTE OPENING OF THE COFACTOR IMIDAZOLIDINE RING | Descriptor: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE | Authors: | Sage, C.R, Michelitsch, M.D, Finer-Moore, J, Stroud, R.M. | Deposit date: | 1998-06-25 | Release date: | 1998-11-04 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | D221 in thymidylate synthase controls conformation change, and thereby opening of the imidazolidine. Biochemistry, 37, 1998
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1JMG
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![BU of 1jmg by Molmil](/molmil-images/mine/1jmg) | |
1JMF
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![BU of 1jmf by Molmil](/molmil-images/mine/1jmf) | |
1JMH
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![BU of 1jmh by Molmil](/molmil-images/mine/1jmh) | |
1JMI
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![BU of 1jmi by Molmil](/molmil-images/mine/1jmi) | |
2AAZ
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![BU of 2aaz by Molmil](/molmil-images/mine/2aaz) | Cryptococcus neoformans thymidylate synthase complexed with substrate and an antifolate | Descriptor: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase | Authors: | Finer-Moore, J.S, Anderson, A.C, O'Neil, R.H, Costi, M.P, Ferrari, S, Krucinski, J, Stroud, R.M. | Deposit date: | 2005-07-14 | Release date: | 2005-12-06 | Last modified: | 2018-02-14 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | The structure of Cryptococcus neoformans thymidylate synthase suggests strategies for using target dynamics for species-specific inhibition. Acta Crystallogr.,Sect.D, 61, 2005
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3R1F
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![BU of 3r1f by Molmil](/molmil-images/mine/3r1f) | Crystal structure of a key regulator of virulence in Mycobacterium tuberculosis | Descriptor: | ESX-1 secretion-associated regulator EspR | Authors: | Rosenberg, O.S, Dovey, C, Finer-Moore, J, Stroud, R.M, Cox, J.S. | Deposit date: | 2011-03-10 | Release date: | 2011-08-03 | Last modified: | 2011-08-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | EspR, a key regulator of Mycobacterium tuberculosis virulence, adopts a unique dimeric structure among helix-turn-helix proteins. Proc.Natl.Acad.Sci.USA, 108, 2011
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1NG1
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![BU of 1ng1 by Molmil](/molmil-images/mine/1ng1) | N AND GTPASE DOMAINS OF THE SIGNAL SEQUENCE RECOGNITION PROTEIN FFH FROM THERMUS AQUATICUS | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, CADMIUM ION, ... | Authors: | Freymann, D.M, Stroud, R.M, Walter, P. | Deposit date: | 1998-04-30 | Release date: | 1999-07-30 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Functional changes in the structure of the SRP GTPase on binding GDP and Mg2+GDP. Nat.Struct.Biol., 6, 1999
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1NN6
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![BU of 1nn6 by Molmil](/molmil-images/mine/1nn6) | Human Pro-Chymase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chymase | Authors: | Reiling, K.K, Krucinski, J, Miercke, L.J.W, Raymond, W.W, Caughey, G.H, Stroud, R.M. | Deposit date: | 2003-01-12 | Release date: | 2003-03-04 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure of human pro-chymase: a model for the activating transition of granule-associated proteases. Biochemistry, 42, 2003
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1TGN
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![BU of 1tgn by Molmil](/molmil-images/mine/1tgn) | |
7TDF
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![BU of 7tdf by Molmil](/molmil-images/mine/7tdf) | AtTPC1 D454N with 1 mM EDTA state I | Descriptor: | Two pore calcium channel protein 1 | Authors: | Dickinson, M.S, Stroud, R.M. | Deposit date: | 2021-12-31 | Release date: | 2022-02-02 | Last modified: | 2022-03-09 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Molecular basis of multistep voltage activation in plant two-pore channel 1. Proc.Natl.Acad.Sci.USA, 119, 2022
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7T3N
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![BU of 7t3n by Molmil](/molmil-images/mine/7t3n) | R184Q/E191Q mutant of rat vesicular glutamate transporter 2 (VGLUT2) | Descriptor: | (1S,3R)-1-AMINOCYCLOPENTANE-1,3-DICARBOXYLIC ACID, (2R)-2-(methoxymethyl)-4-{[(25R)-spirost-5-en-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, Vesicular glutamate transporter 2 | Authors: | Li, F, Stroud, R.M, Edwards, R.H. | Deposit date: | 2021-12-08 | Release date: | 2022-12-14 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Substrate Recognition, Directional Flux, and Allostery in a Synaptic Vesicle Glutamate Transporter To Be Published
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7T3O
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![BU of 7t3o by Molmil](/molmil-images/mine/7t3o) | |
7TDD
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![BU of 7tdd by Molmil](/molmil-images/mine/7tdd) | AtTPC1 D454N-EDTA state II | Descriptor: | Two pore calcium channel protein 1 | Authors: | Dickinson, M.S, Stroud, R.M. | Deposit date: | 2021-12-30 | Release date: | 2022-10-12 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Molecular basis of multistep voltage activation in plant two-pore channel 1. Proc.Natl.Acad.Sci.USA, 119, 2022
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7TDE
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![BU of 7tde by Molmil](/molmil-images/mine/7tde) | AtTPC1 DDE mutant with 1 mM Ca2+ | Descriptor: | Two pore calcium channel protein 1 | Authors: | Dickinson, M.S, Stroud, R.M. | Deposit date: | 2021-12-31 | Release date: | 2022-10-12 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Molecular basis of multistep voltage activation in plant two-pore channel 1. Proc.Natl.Acad.Sci.USA, 119, 2022
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1SJS
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![BU of 1sjs by Molmil](/molmil-images/mine/1sjs) | |