3CAV
 
 | | Crystal structure of 5beta-reductase (AKR1D1) in complex with NADP+ and 5beta-pregnan-3,20-dione | | Descriptor: | (5BETA)-PREGNANE-3,20-DIONE, 1,2-ETHANEDIOL, 3-oxo-5-beta-steroid 4-dehydrogenase, ... | | Authors: | Faucher, F, Cantin, L, Breton, R. | | Deposit date: | 2008-02-20 | | Release date: | 2008-07-29 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The crystal structure of human Delta4-3-ketosteroid 5beta-reductase defines the functional role of the residues of the catalytic tetrad in the steroid double bond reduction mechanism.
Biochemistry, 47, 2008
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6ADA
 | | Crystal structure of the E148D mutant CLC-ec1 in 200mM bromide | | Descriptor: | BROMIDE ION, H(+)/Cl(-) exchange transporter ClcA, antibody Fab fragment, ... | | Authors: | Lim, H.-H, Park, K. | | Deposit date: | 2018-07-31 | | Release date: | 2019-08-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.153 Å) | | Cite: | Mutation of external glutamate residue reveals a new intermediate transport state and anion binding site in a CLC Cl-/H+antiporter.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6AH4
 | | Structure of human P2X3 receptor in complex with ATP and Ca2+ ion | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Hattori, M. | | Deposit date: | 2018-08-16 | | Release date: | 2019-06-12 | | Last modified: | 2020-12-23 | | Method: | X-RAY DIFFRACTION (3.296 Å) | | Cite: | Molecular mechanisms of human P2X3 receptor channel activation and modulation by divalent cation bound ATP.
Elife, 8, 2019
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6AID
 | | Structural insights into the unique polylactate degrading mechanism of Thermobifida alba cutinase | | Descriptor: | CALCIUM ION, Esterase, LACTIC ACID, ... | | Authors: | Kitadokoro, K, Kakara, M, Matsui, S, Osokoshi, R, Thumarat, U, Kawai, F, Kamitani, S. | | Deposit date: | 2018-08-22 | | Release date: | 2019-02-27 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structural insights into the unique polylactate-degrading mechanism of Thermobifida alba cutinase.
Febs J., 286, 2019
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3CBW
 | | Crystal structure of the YdhT protein from Bacillus subtilis | | Descriptor: | CITRIC ACID, YdhT protein | | Authors: | Bonanno, J.B, Rutter, M, Bain, K.T, Iizuka, M, Romero, R, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2008-02-23 | | Release date: | 2008-03-11 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (1.269 Å) | | Cite: | Crystal structure of the YdhT protein from Bacillus subtilis.
To be Published
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6AFS
 | | Proton pyrophosphatase - two phosphates-bound | | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Tsai, J.-Y, Li, K.-M, Sun, Y.-J. | | Deposit date: | 2018-08-08 | | Release date: | 2019-04-10 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.299 Å) | | Cite: | Roles of the Hydrophobic Gate and Exit Channel in Vigna radiata Pyrophosphatase Ion Translocation.
J. Mol. Biol., 431, 2019
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6AFX
 | | Proton pyrophosphatase - E225A | | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Tsai, J.-Y, Tang, K.-Z, Sun, Y.-J. | | Deposit date: | 2018-08-08 | | Release date: | 2019-04-10 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.301 Å) | | Cite: | Roles of the Hydrophobic Gate and Exit Channel in Vigna radiata Pyrophosphatase Ion Translocation.
J. Mol. Biol., 431, 2019
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6AKI
 | | Calcium release-activated calcium channel protein 1, P288L mutant | | Descriptor: | CHLORIDE ION, Calcium release-activated calcium channel protein 1 | | Authors: | Liu, X, Wu, G, Yang, X, Shen, Y. | | Deposit date: | 2018-09-01 | | Release date: | 2019-03-20 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (4.496 Å) | | Cite: | Calcium release-activated calcium channel protein 1, P288L mutant
To Be Published
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6ALD
 | | RABBIT MUSCLE ALDOLASE A/FRUCTOSE-1,6-BISPHOSPHATE COMPLEX | | Descriptor: | 1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM), FRUCTOSE-1,6-BIS(PHOSPHATE) ALDOLASE | | Authors: | Choi, K.H, Mazurkie, A.S, Morris, A.J, Utheza, D, Tolan, D.R, Allen, K.N. | | Deposit date: | 1998-12-23 | | Release date: | 2000-01-05 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of a fructose-1,6-bis(phosphate) aldolase liganded to its natural substrate in a cleavage-defective mutant at 2.3 A(,).
Biochemistry, 38, 1999
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3CAS
 | | Crystal structure of 5beta-reductase (AKR1D1) in complex with NADP+ and 4-androstenedione | | Descriptor: | 1,2-ETHANEDIOL, 3-oxo-5-beta-steroid 4-dehydrogenase, 4-ANDROSTENE-3-17-DIONE, ... | | Authors: | Faucher, F, Cantin, L, Breton, R. | | Deposit date: | 2008-02-20 | | Release date: | 2008-12-09 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structures of Human Delta4-3-Ketosteroid 5beta-Reductase (AKR1D1) Reveal the Presence of an Alternative Binding Site Responsible for Substrate Inhibition (dagger) (,) (double dagger).
Biochemistry, 47, 2008
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3C6W
 | | Crystal structure of the ING5 PHD finger in complex with H3K4me3 peptide | | Descriptor: | H3K4me3 histone peptide, Inhibitor of growth protein 5, ZINC ION | | Authors: | Champagne, K.S, Pena, P.V, Johnson, K, Kutateladze, T.G. | | Deposit date: | 2008-02-05 | | Release date: | 2008-06-03 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | The crystal structure of the ING5 PHD finger in complex with an H3K4me3 histone peptide.
Proteins, 72, 2008
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6AOC
 | | Crystal Structure of an N-Hydroxythienopyrimidine-2,4-dione RNase H Active Site Inhibitor with Multiple Binding Modes to HIV Reverse Transcriptase | | Descriptor: | 1,2-ETHANEDIOL, 6-benzyl-3-hydroxythieno[2,3-d]pyrimidine-2,4(1H,3H)-dione, MANGANESE (II) ION, ... | | Authors: | Kirby, K.A, Sarafianos, S.G. | | Deposit date: | 2017-08-15 | | Release date: | 2018-08-08 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Design, synthesis and biological evaluations of N-Hydroxy thienopyrimidine-2,4-diones as inhibitors of HIV reverse transcriptase-associated RNase H.
Eur J Med Chem, 141, 2017
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6AMO
 | | STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) TERNARY COMPLEX WITH A DOUBLE STRANDED DNA AND AN INCOMING D4TTP AT PH 7.0 | | Descriptor: | 2',3'-DEHYDRO-2',3'-DEOXY-THYMIDINE 5'-TRIPHOSPHATE, DNA (27-MER), DNA (5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*(DDG))-3'), ... | | Authors: | Martinez, S.E, Das, K, Arnold, E. | | Deposit date: | 2017-08-10 | | Release date: | 2018-08-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.497 Å) | | Cite: | Structure of HIV-1 reverse transcriptase/d4TTP complex: Novel DNA cross-linking site and pH-dependent conformational changes.
Protein Sci., 28, 2019
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6AUO
 | | Artificial Metalloproteins Containing a Co4O4 Active Site - 2xm-S112F | | Descriptor: | N-biotin-C-Co4(mu3-O)4(Py)3(H2O)4-beta-alanine, Streptavidin | | Authors: | Olshansky, L, Vallapurakal, J, Huerta-Lavorie, R, Nguyen, A.I, Tilley, T.D, Borovik, A.S. | | Deposit date: | 2017-09-01 | | Release date: | 2018-02-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Artificial Metalloproteins Containing Co
J. Am. Chem. Soc., 140, 2018
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6AUV
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with 4-Methyl-6-(2-(5-(3-((methylamino)methyl)phenyl)pyridin-3-yl)ethyl)pyridin-2-amine | | Descriptor: | 4-methyl-6-[2-(5-{3-[(methylamino)methyl]phenyl}pyridin-3-yl)ethyl]pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2017-09-01 | | Release date: | 2018-07-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker.
J. Med. Chem., 60, 2017
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6AVB
 | | CryoEM structure of Mical Oxidized Actin (Class 1) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle | | Authors: | Grintsevich, E.E, Ge, P, Sawaya, M.R, Yesilyurt, H.G, Terman, J.R, Zhou, Z.H, Reisler, E. | | Deposit date: | 2017-09-01 | | Release date: | 2018-01-17 | | Last modified: | 2019-11-06 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Catastrophic disassembly of actin filaments via Mical-mediated oxidation.
Nat Commun, 8, 2017
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3C94
 | | ExoI/SSB-Ct complex | | Descriptor: | Exodeoxyribonuclease I, MAGNESIUM ION, Single-stranded DNA-binding C-terminal tail peptide | | Authors: | Lu, D, Keck, J.L. | | Deposit date: | 2008-02-15 | | Release date: | 2008-07-08 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis of Escherichia coli single-stranded DNA-binding protein stimulation of exonuclease I.
Proc.Natl.Acad.Sci.USA, 105, 2008
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6AUZ
 | | Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(3-Fluoro-5-(3-(methylamino)propyl)phenethyl)-4-methylpyridin-2-amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{3-fluoro-5-[3-(methylamino)propyl]phenyl}ethyl)-4-methylpyridin-2-amine, Nitric oxide synthase, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2017-09-01 | | Release date: | 2018-07-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker.
J. Med. Chem., 60, 2017
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6AUR
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(3-Fluoro-5-(3-(methylamino)propyl)phenethyl)-4-methylpyridin-2-amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{3-fluoro-5-[3-(methylamino)propyl]phenyl}ethyl)-4-methylpyridin-2-amine, ACETATE ION, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2017-09-01 | | Release date: | 2018-07-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker.
J. Med. Chem., 60, 2017
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6AV5
 | | Structure of human neuronal nitric oxide synthase R354A/G356D mutant heme domain in complex with 6-(2-(5-Fluoro-3'-((methylamino)methyl)-[1,1'-biphenyl]-3-yl)ethyl)-4-methylpyridin-2-amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{5-fluoro-3'-[(methylamino)methyl][1,1'-biphenyl]-3-yl}ethyl)-4-methylpyridin-2-amine, Nitric oxide synthase, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2017-09-01 | | Release date: | 2018-07-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker.
J. Med. Chem., 60, 2017
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3C8Z
 | | The 1.6 A Crystal Structure of MshC: The Rate Limiting Enzyme in the Mycothiol Biosynthetic Pathway | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-O-(N-(L-CYSTEINYL)-SULFAMOYL)ADENOSINE, Cysteinyl-tRNA synthetase, ... | | Authors: | Tremblay, L.W, Fan, F, Vetting, M.W, Blanchard, J.S. | | Deposit date: | 2008-02-14 | | Release date: | 2008-12-30 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The 1.6 A crystal structure of Mycobacterium smegmatis MshC: the penultimate enzyme in the mycothiol biosynthetic pathway.
Biochemistry, 47, 2008
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6BBG
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3CI2
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3CHQ
 | | Crystal structure of leukotriene a4 hydrolase in complex with N5-[4-(phenylmethoxy)phenyl]-L-glutamine | | Descriptor: | (2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acid, IMIDAZOLE, Leukotriene A-4 hydrolase, ... | | Authors: | Thunnissen, M.M.G.M, Adler, M, Whitlow, M. | | Deposit date: | 2008-03-10 | | Release date: | 2008-04-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Synthesis of glutamic acid analogs as potent inhibitors of leukotriene A4 hydrolase.
Bioorg.Med.Chem., 16, 2008
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3CHE
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