5SYH
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![BU of 5syh by Molmil](/molmil-images/mine/5syh) | Structure of D141A variant of B. pseudomallei KatG | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Catalase-peroxidase, ... | Authors: | Loewen, P.C. | Deposit date: | 2016-08-11 | Release date: | 2016-09-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | An ionizable active-site tryptophan imparts catalase activity to a peroxidase core. J. Am. Chem. Soc., 136, 2014
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5SYI
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![BU of 5syi by Molmil](/molmil-images/mine/5syi) | Structure of D141A variant of B. pseudomallei KatG complexed with INH | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Catalase-peroxidase, ... | Authors: | Loewen, P.C. | Deposit date: | 2016-08-11 | Release date: | 2016-09-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Binding of the antitubercular pro-drug isoniazid in the heme access channel of catalase-peroxidase (KatG). A combined structural and metadynamics investigation. J Phys Chem B, 118, 2014
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5UPS
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![BU of 5ups by Molmil](/molmil-images/mine/5ups) | Acyl-CoA synthetase PtmA2 from Streptomyces platensis in complex with SBNP663 ligand | Descriptor: | 5'-O-[(R)-hydroxy{[(7beta,8alpha,9beta,10alpha,11beta,13alpha)-7-hydroxy-19-oxo-11,16-epoxykauran-19-yl]oxy}phosphoryl]adenosine, Acyl-CoA synthetase PtmA2, FORMIC ACID, ... | Authors: | Osipiuk, J, Hatzos-Skintges, C, Endres, M, Babnigg, G, Rudolf, J.D, Chang, C.-Y, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2017-02-03 | Release date: | 2017-02-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Natural separation of the acyl-CoA ligase reaction results in a non-adenylating enzyme. Nat. Chem. Biol., 14, 2018
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4TRO
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![BU of 4tro by Molmil](/molmil-images/mine/4tro) | Structure of the enoyl-ACP reductase of Mycobacterium tuberculosis InhA, inhibited with the active metabolite of isoniazid | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, Enoyl-[acyl-carrier-protein] reductase [NADH], ... | Authors: | Chollet, A, Julien, S, Mourey, L, Maveyraud, L. | Deposit date: | 2014-06-17 | Release date: | 2015-04-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal structure of the enoyl-ACP reductase of Mycobacterium tuberculosis (InhA) in the apo-form and in complex with the active metabolite of isoniazid pre-formed by a biomimetic approach. J.Struct.Biol., 190, 2015
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4TTG
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![BU of 4ttg by Molmil](/molmil-images/mine/4ttg) | Beta-galactosidase (E. coli) in the presence of potassium chloride. | Descriptor: | Beta-galactosidase, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Juers, D.H. | Deposit date: | 2014-06-20 | Release date: | 2015-03-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Elucidating factors important for monovalent cation selectivity in enzymes: E. coli beta-galactosidase as a model. Phys Chem Chem Phys, 17, 2015
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5V4P
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4RT3
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![BU of 4rt3 by Molmil](/molmil-images/mine/4rt3) | Ternary complex crystal structure of DNA polymerase Beta with (alpha, beta)-NH-(beta,gamma)-CH2-dTTP | Descriptor: | 2'-deoxy-5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonomethyl)phosphoryl]amino}phosphoryl]-3,4-dihydrothymidine, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... | Authors: | Batra, V.K, Wilson, S.H. | Deposit date: | 2014-11-12 | Release date: | 2015-07-01 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Two Scaffolds from Two Flips: (alpha, beta)/(beta, gamma) CH2/NH "Met-Im" Analogues of dTTP. Org.Lett., 17, 2015
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5V01
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![BU of 5v01 by Molmil](/molmil-images/mine/5v01) | Crystal structure of the competence damage-inducible protein A (ComA) from Klebsiella pneumoniae subsp. pneumoniae MGH 78578 | Descriptor: | CHLORIDE ION, Competence damage-inducible protein A, SODIUM ION | Authors: | Borek, D, Wawrzak, Z, Grimshaw, S, Sandoval, J, Evdokimova, E, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2017-02-28 | Release date: | 2017-03-15 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Crystal structure of the competence damage-inducible protein A (ComA) from Klebsiella pneumoniae subsp. pneumoniae MGH 78578 To Be Published
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5UIP
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![BU of 5uip by Molmil](/molmil-images/mine/5uip) | structure of DHFR with bound DAP, p-ABG and NADP | Descriptor: | Dihydrofolate reductase, N-(4-aminobenzene-1-carbonyl)-L-glutamic acid, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Pedersen, L.C, London, R.E. | Deposit date: | 2017-01-14 | Release date: | 2017-11-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A Structural Basis for Biguanide Activity. Biochemistry, 56, 2017
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5V0P
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![BU of 5v0p by Molmil](/molmil-images/mine/5v0p) | Crystal Structure of Beta-ketoacyl-ACP synthase III-2 (FabH2) (C113A) from Vibrio Cholerae co-crystallized with octanoyl-CoA | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 3 protein 2, OCTANOYL-COENZYME A, SODIUM ION | Authors: | Hou, J, Zheng, H, Cooper, D.R, Grabowski, M, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2017-02-28 | Release date: | 2017-03-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Crystal Structure of Beta-ketoacyl-ACP synthase III-2 (FabH2) (C113A) from Vibrio Cholerae co-crystallized with octanoyl-CoA To Be Published
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7LG1
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5SUR
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![BU of 5sur by Molmil](/molmil-images/mine/5sur) | X-ray crystallographic structure of a covalent trimer derived from A-beta 17_36. Synchrotron data set. (ORN)CVF(MEA)CED(ORN)AIIGL(ORN)V. | Descriptor: | 16mer A-beta peptide: ORN-CYS-VAL-PHE-MEA-CYS-GLU-ASP-ORN-ALA-ILE-ILE-GLY-LEU-ORN-VAL, CHLORIDE ION, HEXANE-1,6-DIOL, ... | Authors: | Kreutzer, A.G, Yoo, S, Nowick, J.S. | Deposit date: | 2016-08-03 | Release date: | 2017-01-11 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | Stabilization, Assembly, and Toxicity of Trimers Derived from A beta. J.Am.Chem.Soc., 139, 2017
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8YR2
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![BU of 8yr2 by Molmil](/molmil-images/mine/8yr2) | Structure of NET-Nisoxetine in outward-open state | Descriptor: | CHLORIDE ION, CHOLESTEROL, SODIUM ION, ... | Authors: | Zhang, H, Xu, E.H, Jiang, Y. | Deposit date: | 2024-03-20 | Release date: | 2024-05-29 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (2.89 Å) | Cite: | Dimerization and antidepressant recognition at noradrenaline transporter. Nature, 630, 2024
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8Y92
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![BU of 8y92 by Molmil](/molmil-images/mine/8y92) | structure of NET-Atomoxetine in outward-open state | Descriptor: | (3R)-N-methyl-3-(2-methylphenoxy)-3-phenyl-propan-1-amine, CHLORIDE ION, SODIUM ION, ... | Authors: | Zhang, H, Xu, E.H, Jiang, Y. | Deposit date: | 2024-02-06 | Release date: | 2024-05-29 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.29 Å) | Cite: | Dimerization and antidepressant recognition at noradrenaline transporter. Nature, 630, 2024
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8Y91
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![BU of 8y91 by Molmil](/molmil-images/mine/8y91) | Structure of NET-nomifensine in outward-open state | Descriptor: | (4S)-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine, CHLORIDE ION, SODIUM ION, ... | Authors: | Zhang, H, Xu, E.H, Jiang, Y. | Deposit date: | 2024-02-06 | Release date: | 2024-05-29 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.13 Å) | Cite: | Dimerization and antidepressant recognition at noradrenaline transporter. Nature, 630, 2024
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8Y90
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![BU of 8y90 by Molmil](/molmil-images/mine/8y90) | Structure of NET-Nefopam in outward-open state | Descriptor: | (1S)-5-methyl-1-phenyl-1,3,4,6-tetrahydro-2,5-benzoxazocine, CHLORIDE ION, SODIUM ION, ... | Authors: | Zhang, H, Xu, E.H, Jiang, Y. | Deposit date: | 2024-02-06 | Release date: | 2024-05-29 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.15 Å) | Cite: | Dimerization and antidepressant recognition at noradrenaline transporter. Nature, 630, 2024
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5V1J
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![BU of 5v1j by Molmil](/molmil-images/mine/5v1j) | DNA polymerase beta open product complex with 8-oxoG:C and inserted dCTP | Descriptor: | DNA (5'-D(*CP*CP*GP*AP*CP*GP*CP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(8OG)P*C)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ... | Authors: | Freudenthal, B.D, Smith, M.R, Whitaker, A.M, Schaich, M.A. | Deposit date: | 2017-03-02 | Release date: | 2017-05-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.616 Å) | Cite: | Capturing a mammalian DNA polymerase extending from an oxidized nucleotide. Nucleic Acids Res., 45, 2017
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8Y93
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![BU of 8y93 by Molmil](/molmil-images/mine/8y93) | Structure of NET-Amitriptyline in outward-open state | Descriptor: | Amitriptyline, CHLORIDE ION, SODIUM ION, ... | Authors: | Zhang, H, Xu, E.H, Jiang, Y. | Deposit date: | 2024-02-06 | Release date: | 2024-05-29 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Dimerization and antidepressant recognition at noradrenaline transporter. Nature, 630, 2024
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7KME
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![BU of 7kme by Molmil](/molmil-images/mine/7kme) | |
5V64
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![BU of 5v64 by Molmil](/molmil-images/mine/5v64) | |
8Y8Z
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![BU of 8y8z by Molmil](/molmil-images/mine/8y8z) | Structure of NET-Maprotiline in outward-open state | Descriptor: | CHLORIDE ION, SODIUM ION, Sodium-dependent noradrenaline transporter, ... | Authors: | Zhang, H, Xu, E.H, Jiang, Y. | Deposit date: | 2024-02-06 | Release date: | 2024-05-29 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.29 Å) | Cite: | Dimerization and antidepressant recognition at noradrenaline transporter. Nature, 630, 2024
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5V1P
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![BU of 5v1p by Molmil](/molmil-images/mine/5v1p) | DNA polymerase beta substrate complex with 8-oxoG:C at the primer terminus and incoming dCTP analog | Descriptor: | 2'-deoxy-5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*GP*CP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... | Authors: | Freudenthal, B.D, Smith, M.R, Whitaker, A.M, Schaich, M.A. | Deposit date: | 2017-03-02 | Release date: | 2017-05-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.991 Å) | Cite: | Capturing a mammalian DNA polymerase extending from an oxidized nucleotide. Nucleic Acids Res., 45, 2017
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4OVN
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![BU of 4ovn by Molmil](/molmil-images/mine/4ovn) | Voltage-gated Sodium Channel 1.5 (Nav1.5) C-terminal domain in complex with Calmodulin poised for activation | Descriptor: | Calmodulin, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Gabelli, S.B, Bianchet, M.A, Boto, A, Jakoncic, J, Tomaselli, G.F, Amzel, L.M. | Deposit date: | 2013-12-10 | Release date: | 2014-12-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Regulation of the NaV1.5 cytoplasmic domain by calmodulin. Nat Commun, 5, 2014
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5V4O
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5V9H
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![BU of 5v9h by Molmil](/molmil-images/mine/5v9h) | |