5MDH
 
 | | CRYSTAL STRUCTURE OF TERNARY COMPLEX OF PORCINE CYTOPLASMIC MALATE DEHYDROGENASE ALPHA-KETOMALONATE AND TNAD AT 2.4 ANGSTROMS RESOLUTION | | Descriptor: | ALPHA-KETOMALONIC ACID, MALATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Chapman, A.D.M, Cortes, A, Dafforn, T.R, Clarke, A.R, Brady, R.L. | | Deposit date: | 1998-10-08 | | Release date: | 1999-05-18 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural basis of substrate specificity in malate dehydrogenases: crystal structure of a ternary complex of porcine cytoplasmic malate dehydrogenase, alpha-ketomalonate and tetrahydoNAD.
J.Mol.Biol., 285, 1999
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6YB7
 | | SARS-CoV-2 main protease with unliganded active site (2019-nCoV, coronavirus disease 2019, COVID-19). | | Descriptor: | 3C-like proteinase, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE | | Authors: | Owen, C.D, Lukacik, P, Strain-Damerell, C.M, Douangamath, A, Powell, A.J, Fearon, D, Brandao-Neto, J, Crawshaw, A.D, Aragao, D, Williams, M, Flaig, R, Hall, D.R, McAuley, K.E, Mazzorana, M, Stuart, D.I, von Delft, F, Walsh, M.A. | | Deposit date: | 2020-03-16 | | Release date: | 2020-03-25 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | COVID-19 main protease with unliganded active site
To Be Published
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6Y84
 | | SARS-CoV-2 main protease with unliganded active site (2019-nCoV, coronavirus disease 2019, COVID-19) | | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | | Authors: | Owen, C.D, Lukacik, P, Strain-Damerell, C.M, Douangamath, A, Powell, A.J, Fearon, D, Brandao-Neto, J, Crawshaw, A.D, Aragao, D, Williams, M, Flaig, R, Hall, D.R, McAuley, K.E, Mazzorana, M, Stuart, D.I, von Delft, F, Walsh, M.A. | | Deposit date: | 2020-03-03 | | Release date: | 2020-03-11 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | COVID-19 main protease with unliganded active site
To Be Published
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6Y57
 | | Structure of human ribosome in hybrid-PRE state | | Descriptor: | 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S10, ... | | Authors: | Bhaskar, V, Schenk, A.D, Cavadini, S, von Loeffelholz, O, Natchiar, S.K, Klaholz, B.P, Chao, J.A. | | Deposit date: | 2020-02-25 | | Release date: | 2020-04-15 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Dynamics of uS19 C-Terminal Tail during the Translation Elongation Cycle in Human Ribosomes.
Cell Rep, 31, 2020
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6WCO
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6X91
 | | Crystal structure of MBP-fused human APOBEC1 | | Descriptor: | CACODYLATE ION, Maltodextrin-binding protein, C->U-editing enzyme APOBEC-1 chimera, ... | | Authors: | Wolfe, A.D, Li, S.-X, Chen, X.S. | | Deposit date: | 2020-06-02 | | Release date: | 2020-12-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.51 Å) | | Cite: | The structure of APOBEC1 and insights into its RNA and DNA substrate selectivity.
NAR Cancer, 2, 2020
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6Y2L
 | | Structure of human ribosome in POST state | | Descriptor: | 18S ribosomal RNA, 28S ribosomal RNA, 4-{(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione, ... | | Authors: | Bhaskar, V, Schenk, A.D, Cavadini, S, von Loeffelholz, O, Natchiar, S.K, Klaholz, B.P, Chao, J.A. | | Deposit date: | 2020-02-16 | | Release date: | 2020-04-15 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Dynamics of uS19 C-Terminal Tail during the Translation Elongation Cycle in Human Ribosomes.
Cell Rep, 31, 2020
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6WIN
 | | Type 6 secretion amidase effector 2 (Tae2) | | Descriptor: | Type 6 secretion amidase effector 2 | | Authors: | Chou, S, Radkov, A.D. | | Deposit date: | 2020-04-10 | | Release date: | 2020-04-22 | | Last modified: | 2021-05-05 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Ticks Resist Skin Commensals with Immune Factor of Bacterial Origin.
Cell, 183, 2020
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6Y0G
 | | Structure of human ribosome in classical-PRE state | | Descriptor: | 18S ribosomal RNA, 28S ribosomal RNA, 4-{(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione, ... | | Authors: | Bhaskar, V, Schenk, A.D, Cavadini, S, von Loeffelholz, O, Natchiar, S.K, Klaholz, B.P, Chao, J.A. | | Deposit date: | 2020-02-07 | | Release date: | 2020-04-15 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Dynamics of uS19 C-Terminal Tail during the Translation Elongation Cycle in Human Ribosomes.
Cell Rep, 31, 2020
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6Z83
 | | CK2 alpha bound to chemical probe SGC-CK2-1 | | Descriptor: | Casein kinase II subunit alpha, DI(HYDROXYETHYL)ETHER, SULFATE ION, ... | | Authors: | Kraemer, A, Wells, C, Drewry, D.H, Pickett, J.E, Axtman, A.D, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-06-02 | | Release date: | 2020-07-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.171 Å) | | Cite: | Development of a potent and selective chemical probe for the pleiotropic kinase CK2.
Cell Chem Biol, 28, 2021
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1B8Y
 | | X-RAY STRUCTURE OF HUMAN STROMELYSIN CATALYTIC DOMAIN COMPLEXED WITH NON-PEPTIDE INHIBITORS: IMPLICATIONS FOR INHIBITOR SELECTIVITY | | Descriptor: | CALCIUM ION, PROTEIN (STROMELYSIN-1), SULFATE ION, ... | | Authors: | Pavlovsky, A.G, Williams, M.G, Ye, Q.-Z, Ortwine, D.F, Purchase II, C.F, White, A.D, Dhanaraj, V, Roth, B.D, Johnson, L.L, Hupe, D, Humblet, C, Blundell, T.L. | | Deposit date: | 1999-02-03 | | Release date: | 1999-08-31 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | X-ray structure of human stromelysin catalytic domain complexed with nonpeptide inhibitors: implications for inhibitor selectivity.
Protein Sci., 8, 1999
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1BWS
 | | CRYSTAL STRUCTURE OF GDP-4-KETO-6-DEOXY-D-MANNOSE EPIMERASE/REDUCTASE FROM ESCHERICHIA COLI A KEY ENZYME IN THE BIOSYNTHESIS OF GDP-L-FUCOSE | | Descriptor: | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROTEIN (GDP-4-KETO-6-DEOXY-D-MANNOSE EPIMERASE/REDUCTASE) | | Authors: | Rizzi, M, Tonetti, M, Flora, A.D, Bolognesi, M. | | Deposit date: | 1998-09-25 | | Release date: | 1999-01-13 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | GDP-4-keto-6-deoxy-D-mannose epimerase/reductase from Escherichia coli, a key enzyme in the biosynthesis of GDP-L-fucose, displays the structural characteristics of the RED protein homology superfamily.
Structure, 6, 1998
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3X3B
 | | Crystal structure of the light-driven sodium pump KR2 in acidic state | | Descriptor: | DI(HYDROXYETHYL)ETHER, OLEIC ACID, RETINAL, ... | | Authors: | Kato, H.E, Inoue, K, Abe-Yoshizumi, R, Kato, Y, Ono, H, Konno, M, Ishizuka, T, Hoque, M.R, Hososhima, S, Kunitomo, H, Ito, J, Yoshizawa, S, Yamashita, K, Takemoto, M, Nishizawa, T, Taniguchi, R, Kogure, K, Maturana, A.D, Iino, Y, Yawo, H, Ishitani, R, Kandori, H, Nureki, O. | | Deposit date: | 2015-01-18 | | Release date: | 2015-04-08 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis for Na(+) transport mechanism by a light-driven Na(+) pump
Nature, 521, 2015
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1BXK
 | | DTDP-GLUCOSE 4,6-DEHYDRATASE FROM E. COLI | | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PROTEIN (DTDP-GLUCOSE 4,6-DEHYDRATASE) | | Authors: | Thoden, J.B, Hegeman, A.D, Frey, P.A, Holden, H.M. | | Deposit date: | 1998-10-05 | | Release date: | 1998-10-14 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Molecular Structure of Dtdp-Glucose 4,6-Dehydratase from E. Coli
Protein Sci.
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3X3C
 | | Crystal structure of the light-driven sodium pump KR2 in neutral state | | Descriptor: | OLEIC ACID, RETINAL, Sodium pumping rhodopsin | | Authors: | Kato, H.E, Inoue, K, Abe-Yoshizumi, R, Kato, Y, Ono, H, Konno, M, Ishizuka, T, Hoque, M.R, Hososhima, S, Kunitomo, H, Ito, J, Yoshizawa, S, Yamashita, K, Takemoto, M, Nishizawa, T, Taniguchi, R, Kogure, K, Maturana, A.D, Iino, Y, Yawo, H, Ishitani, R, Kandori, H, Nureki, O. | | Deposit date: | 2015-01-18 | | Release date: | 2015-04-08 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis for Na(+) transport mechanism by a light-driven Na(+) pump
Nature, 521, 2015
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1ZZF
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3HCS
 | | Crystal structure of the N-terminal domain of TRAF6 | | Descriptor: | TNF receptor-associated factor 6, ZINC ION | | Authors: | Yin, Q, Lin, S.-C, Lamothe, B, Lu, M, Lo, Y.-C, Hura, G, Zheng, L, Rich, R.L, Campos, A.D, Myszka, D.G, Lenardo, M.J, Darnay, B.G, Wu, H. | | Deposit date: | 2009-05-06 | | Release date: | 2009-05-26 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | E2 interaction and dimerization in the crystal structure of TRAF6.
Nat.Struct.Mol.Biol., 16, 2009
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1CIZ
 | | X-RAY STRUCTURE OF HUMAN STROMELYSIN CATALYTIC DOMAIN COMPLEXES WITH NON-PEPTIDE INHIBITORS: IMPLICATION FOR INHIBITOR SELECTIVITY | | Descriptor: | 3-(1H-INDOL-3-YL)-2-[4-(4-PHENYL-PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-PROPIONIC ACID, CALCIUM ION, PROTEIN (STROMELYSIN-1), ... | | Authors: | Pavlovsky, A.G, Williams, M.G, Ye, Q.-Z, Ortwine, D.F, Purchase II, C.F, White, A.D, Dhanaraj, V, Roth, B.D, Johnson, L.L, Hupe, D, Humblet, C, Blundell, T.L. | | Deposit date: | 1999-04-06 | | Release date: | 1999-09-01 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | X-ray structure of human stromelysin catalytic domain complexed with nonpeptide inhibitors: implications for inhibitor selectivity.
Protein Sci., 8, 1999
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2A4H
 | | Solution structure of Sep15 from Drosophila melanogaster | | Descriptor: | Selenoprotein Sep15 | | Authors: | Ferguson, A.D, Labunskyy, V.M, Fomenko, D.E, Chelliah, Y, Amezcua, C.A, Rizo, J, Gladyshev, V.N, Deisenhofer, J. | | Deposit date: | 2005-06-28 | | Release date: | 2005-12-13 | | Last modified: | 2022-03-09 | | Method: | SOLUTION NMR | | Cite: | NMR Structures of the Selenoproteins Sep15 and SelM Reveal Redox Activity of a New Thioredoxin-like Family.
J.Biol.Chem., 281, 2006
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4APS
 | | Crystal structure of a POT family peptide transporter in an inward open conformation. | | Descriptor: | CADMIUM ION, DI-OR TRIPEPTIDE H+ SYMPORTER | | Authors: | Solcan, N, Kwok, J, Fowler, P.W, Cameron, A.D, Drew, D, Iwata, S, Newstead, S. | | Deposit date: | 2012-04-05 | | Release date: | 2012-06-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Alternating Access Mechanism in the Pot Family of Oligopeptide Transporters.
Embo J., 31, 2012
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3G5E
 | | Human aldose reductase complexed with IDD 740 inhibitor | | Descriptor: | 2-(3-((4,5,7-trifluorobenzo[d]thiazol-2-yl)methyl)-1H-pyrrolo[2,3-b]pyridin-1-yl)acetic acid, Aldose reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Podjarny, A.D, Van Zandt, M.C. | | Deposit date: | 2009-02-05 | | Release date: | 2009-03-24 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of [3-(4,5,7-trifluoro-benzothiazol-2-ylmethyl)-pyrrolo[2,3-b]pyridin-1-yl]acetic acids as highly potent and selective inhibitors of aldose reductase for treatment of chronic diabetic complications.
Bioorg.Med.Chem.Lett., 19, 2009
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4AY1
 | | Human YKL-39 is a pseudo-chitinase with retained chitooligosaccharide binding properties | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHITINASE-3-LIKE PROTEIN 2 | | Authors: | Schimpl, M, Rush, C.L, Betou, M, Eggleston, I.M, Penman, G.A, Recklies, A.D, van Aalten, D.M.F. | | Deposit date: | 2012-06-17 | | Release date: | 2012-08-08 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Human Ykl-39 is a Pseudo-Chitinase with Retained Chitooligosaccharide-Binding Properties.
Biochem.J., 446, 2012
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3G5M
 | | Synthesis of Casimiroin and Optimization of Its Quinone Reductase 2 and Aromatase Inhibitory activity | | Descriptor: | 6-methoxy-9-methyl[1,3]dioxolo[4,5-h]quinolin-8(9H)-one, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | | Authors: | Maiti, A, Sturdy, M, Marler, L, Pegan, S.D, Mesecar, A.D, Pezzuto, J.M, Cushman, M. | | Deposit date: | 2009-02-05 | | Release date: | 2009-03-24 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Synthesis of casimiroin and optimization of its quinone reductase 2 and aromatase inhibitory activities.
J.Med.Chem., 52, 2009
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6B0X
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6B3E
 | | Crystal structure of human CDK12/CyclinK in complex with an inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 2-[(2S)-1-(6-{[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]amino}-9-ethyl-9H-purin-2-yl)piperidin-2-yl]ethan-1-ol, Cyclin-K, ... | | Authors: | Ferguson, A.D. | | Deposit date: | 2017-09-21 | | Release date: | 2017-12-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.06 Å) | | Cite: | Structure-Based Design of Selective Noncovalent CDK12 Inhibitors.
ChemMedChem, 13, 2018
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