Mine: Updated entries

6LYH
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CRYSTAL STRUCTURE OF TEA N9-METHYLTRANSFERASE CKTCS IN COMPLEX WITH SAH AND 1,3,7-TRIMETHYLURIC ACID
Descriptor:N-methyltransferase CkTcS, S-ADENOSYL-L-HOMOCYSTEINE, 1,3,7-trimethyl-9H-purine-2,6,8-trione
Authors:Wang, Y., Zhang, Z.-M.
Deposit date:2020-02-14
Release date:2020-03-04
Last modified:2020-04-01
Method:X-RAY DIFFRACTION (3.150003 Å)
Cite:Identification and characterization of N9-methyltransferase involved in converting caffeine into non-stimulatory theacrine in tea.
Nat Commun, 11, 2020
6LYI
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CRYSTAL STRUCTURE OF A N-METHYLTRANSFERASE CKTBS FROM CAMELLIA ASSAMICA VAR. KUCHA
Descriptor:N-methyltransferase CkTbS
Authors:Wang, Y., Zhang, Z.M.
Deposit date:2020-02-14
Release date:2020-03-04
Last modified:2020-04-01
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Identification and characterization of N9-methyltransferase involved in converting caffeine into non-stimulatory theacrine in tea.
Nat Commun, 11, 2020
6M17
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THE 2019-NCOV RBD/ACE2-B0AT1 COMPLEX
Descriptor:Sodium-dependent neutral amino acid transporter B(0)AT1, Angiotensin-converting enzyme 2, SARS-coV-2 Receptor Binding Domain, ...
Authors:Yan, R.H., Zhang, Y.Y., Li, Y.N., Xia, L., Guo, Y.Y., Zhou, Q.
Deposit date:2020-02-24
Release date:2020-03-11
Last modified:2020-04-01
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural basis for the recognition of the SARS-CoV-2 by full-length human ACE2.
Science, 2020
6M3L
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CRYSTAL STRUCTURE OF THE R.PABI(Y68F-K154A)-DSDNA(NONSPECIFIC) COMPLEX
Descriptor:RE_R_Pab1 domain-containing protein, DNA (5'-D(*CP*GP*CP*AP*TP*CP*GP*AP*TP*TP*CP*AP*GP*AP*AP*TP*CP*GP*AP*TP*GP*CP*G)-3')
Authors:Miyazono, K., Wang, D., Ito, T., Tanokura, M.
Deposit date:2020-03-04
Release date:2020-03-18
Last modified:2020-04-01
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Distortion of double-stranded DNA structure by the binding of the restriction DNA glycosylase R.PabI
To Be Published
6MEV
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STRUCTURE OF JMJD6 BOUND TO MONO-METHYL ARGININE.
Descriptor:Bifunctional arginine demethylase and lysyl-hydroxylase JMJD6, 2-OXOGLUTARIC ACID, FE (III) ION, ...
Authors:Lee, S., Zhang, G.
Deposit date:2018-09-07
Release date:2019-09-18
Last modified:2020-04-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:JMJD6 cleaves MePCE to release positive transcription elongation factor b (P-TEFb) in higher eukaryotes.
Elife, 9, 2020
6MFC
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GPHF GNAT-LIKE DECARBOXYLASE
Descriptor:GphF, GLYCEROL, PENTAETHYLENE GLYCOL
Authors:Skiba, M.A., Tran, C.L., Smith, J.L.
Deposit date:2018-09-10
Release date:2019-09-18
Last modified:2020-04-01
Method:X-RAY DIFFRACTION (2.589 Å)
Cite:Repurposing the GNAT Fold in the Initiation of Polyketide Biosynthesis.
Structure, 28, 2020
6MFD
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GPHF GNAT-LIKE DECARBOXYLASE IN COMPLEX WITH ISOBUTYRYL-COA
Descriptor:GphF, ISOBUTYRYL-COENZYME A, ACETATE ION, ...
Authors:Skiba, M.A., Tran, C.L., Smith, J.L.
Deposit date:2018-09-10
Release date:2019-09-18
Last modified:2020-04-01
Method:X-RAY DIFFRACTION (2.794 Å)
Cite:Repurposing the GNAT Fold in the Initiation of Polyketide Biosynthesis.
Structure, 28, 2020
6MFJ
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CRYSTAL STRUCTURE OF THE ADCC POTENT ANTIBODY DH677.3 FAB ELICITED IN THE RV305 VACCINE TRIAL.
Descriptor:DH677.3 Fab heavy chain, DH677.3 Fab light chain, N-ACETYL-D-GLUCOSAMINE
Authors:Young, B., Tolbert, W.D., Pazgier, M.
Deposit date:2018-09-11
Release date:2019-09-25
Last modified:2020-04-01
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Boosting with AIDSVAX B/E Enhances Env Constant Region 1 and 2 Antibody-Dependent Cellular Cytotoxicity Breadth and Potency.
J.Virol., 94, 2020
6MFP
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CRYSTAL STRUCTURE OF THE RV305 C1-C2 SPECIFIC ADCC POTENT ANTIBODY DH677.3 FAB IN COMPLEX WITH HIV-1 CLADE A/E GP120 AND M48U1
Descriptor:clade A/E 93TH057 HIV-1 gp120 core, M48U1 CD4 MIMETIC PEPTIDE, DH677.3 Fab heavy chain, ...
Authors:Tolbert, W.D., Young, B., Pazgier, M.
Deposit date:2018-09-11
Release date:2019-09-18
Last modified:2020-04-01
Method:X-RAY DIFFRACTION (3 Å)
Cite:Boosting with AIDSVAX B/E Enhances Env Constant Region 1 and 2 Antibody-Dependent Cellular Cytotoxicity Breadth and Potency.
J.Virol., 94, 2020
6MZ1
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CTX-M-14 CLASS A BETA-LACTAMASE IN COMPLEX WITH AVIBACTAM AT PH 5.3
Descriptor:Beta-lactamase, (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, PHOSPHATE ION, ...
Authors:Pemberton, O.A., Chen, Y.
Deposit date:2018-11-03
Release date:2019-11-20
Last modified:2020-04-01
Method:X-RAY DIFFRACTION (1 Å)
Cite:Mechanism of proton transfer in class A beta-lactamase catalysis and inhibition by avibactam.
Proc.Natl.Acad.Sci.USA, 117, 2020
6MZ2
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CTX-M-14 CLASS A BETA-LACTAMASE IN COMPLEX WITH AVIBACTAM AT PH 7.9
Descriptor:Beta-lactamase, (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, PHOSPHATE ION, ...
Authors:Pemberton, O.A., Chen, Y.
Deposit date:2018-11-03
Release date:2019-11-20
Last modified:2020-04-01
Method:X-RAY DIFFRACTION (0.83 Å)
Cite:Mechanism of proton transfer in class A beta-lactamase catalysis and inhibition by avibactam.
Proc.Natl.Acad.Sci.USA, 117, 2020
6O04
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M.TB MEND INTII BOUND WITH INHIBITOR
Descriptor:2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase, 1,4-dihydroxy-2-naphthoic acid, ACETATE ION, ...
Authors:Johnston, J.M., Bashiri, G., Bulloch, E.M., Jirgis, E.M.N., Nigon, L.V., Chuang, H., Baker, E.N.
Deposit date:2019-02-15
Release date:2020-02-19
Last modified:2020-04-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Allosteric regulation of menaquinone (vitamin K2) biosynthesis in the human pathogenMycobacterium tuberculosis.
J.Biol.Chem., 295, 2020
6O0G
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M.TB MEND BOUND TO INTERMEDIATE I AND INHIBITOR
Descriptor:2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase, 1,4-dihydroxy-2-naphthoic acid, ACETATE ION, ...
Authors:Johnston, J.M., Bashiri, G., Bulloch, E.M.M., Jirgis, E.M.N., Chuang, H., Nigon, L.V., Baker, E.N.
Deposit date:2019-02-16
Release date:2020-02-19
Last modified:2020-04-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Allosteric regulation of menaquinone (vitamin K2) biosynthesis in the human pathogenMycobacterium tuberculosis.
J.Biol.Chem., 295, 2020
6O0J
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M.TB MEND WITH THDP AND INHIBITOR BOUND
Descriptor:2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase, 1,4-dihydroxy-2-naphthoic acid, GLYCEROL, ...
Authors:Johnston, J.M., Bashiri, G., Bulloch, E.M.M., Jirgis, E.M.N., Nigon, L.V., Chuang, H., Ho, N.A.T., Baker, E.N.
Deposit date:2019-02-16
Release date:2020-02-19
Last modified:2020-04-01
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Allosteric regulation of menaquinone (vitamin K2) biosynthesis in the human pathogenMycobacterium tuberculosis.
J.Biol.Chem., 295, 2020
6O0N
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M.TB MEND WITH INHIBITOR
Descriptor:2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase, 1,4-dihydroxy-2-naphthoic acid
Authors:Johnston, J.M., Ho, N.A.T., Bashiri, G., Bulloch, E.M., Nigon, L.V., Jirgis, E.M.N., Baker, E.N.
Deposit date:2019-02-16
Release date:2020-02-19
Last modified:2020-04-01
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:Allosteric regulation of menaquinone (vitamin K2) biosynthesis in the human pathogenMycobacterium tuberculosis.
J.Biol.Chem., 295, 2020
6O9H
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MOUSE ECD WITH FAB1
Descriptor:Heavy chain, Light chain, Gastric inhibitory polypeptide receptor, ...
Authors:Min, X., Wang, Z.
Deposit date:2019-03-13
Release date:2020-01-22
Last modified:2020-04-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular mechanism of an antagonistic antibody against glucose-dependent insulinotropic polypeptide receptor.
Mabs, 12, 2020
6O9I
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TERNARY COMPLEX OF MOUSE ECD WITH FAB1 AND FAB2
Descriptor:Fab1 heavy chain, Fab1 light chain, Gastric inhibitory polypeptide receptor, ...
Authors:Min, X., Wang, Z.
Deposit date:2019-03-13
Release date:2020-01-22
Last modified:2020-04-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Molecular mechanism of an antagonistic antibody against glucose-dependent insulinotropic polypeptide receptor.
Mabs, 12
6OHM
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STRUCTURE OF TUNGSTATE BOUND HUMAN PHOSPHOLIPASE D2 CATALYTIC DOMAIN
Descriptor:Phospholipase D2, TUNGSTATE(VI)ION, SULFATE ION, ...
Authors:Metrick, C.M., Chodaparambil, J.V.
Deposit date:2019-04-06
Release date:2020-02-19
Last modified:2020-04-01
Method:X-RAY DIFFRACTION (1.895 Å)
Cite:Human PLD structures enable drug design and characterization of isoenzyme selectivity.
Nat.Chem.Biol., 16, 2020
6OHO
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STRUCTURE OF HUMAN PHOSPHOLIPASE D2 CATALYTIC DOMAIN
Descriptor:Phospholipase D2, SULFATE ION, GLYCEROL, ...
Authors:Metrick, C.M., Chodaparambil, J.V.
Deposit date:2019-04-06
Release date:2020-02-19
Last modified:2020-04-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Human PLD structures enable drug design and characterization of isoenzyme selectivity.
Nat.Chem.Biol., 16, 2020
6OHP
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STRUCTURE OF COMPOUND 1 (HALOPEMIDE) BOUND HUMAN PHOSPHOLIPASE D2 CATALYTIC DOMAIN
Descriptor:Phospholipase D2, N-{2-[4-(5-chloro-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]ethyl}-4-fluorobenzamide, SULFATE ION, ...
Authors:Metrick, C.M., Chodaparambil, J.V.
Deposit date:2019-04-06
Release date:2020-02-19
Last modified:2020-04-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Human PLD structures enable drug design and characterization of isoenzyme selectivity.
Nat.Chem.Biol., 16, 2020
6OHQ
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STRUCTURE OF COMPOUND 4 BOUND HUMAN PHOSPHOLIPASE D2 CATALYTIC DOMAIN
Descriptor:Phospholipase D2, 4-fluoro-N-{(2S)-1-[4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl}benzamide, SULFATE ION
Authors:Metrick, C.M., Chodaparambil, J.V.
Deposit date:2019-04-06
Release date:2020-02-19
Last modified:2020-04-01
Method:X-RAY DIFFRACTION (2.694 Å)
Cite:Human PLD structures enable drug design and characterization of isoenzyme selectivity.
Nat.Chem.Biol., 16, 2020
6OHR
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STRUCTURE OF COMPOUND 5 BOUND HUMAN PHOSPHOLIPASE D1 CATALYTIC DOMAIN
Descriptor:Phospholipase D1, chimeric constuct, 4-fluoro-N-{(2S)-1-[(5R)-5-(3-fluorophenyl)-2-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-9-yl]propan-2-yl}benzamide
Authors:Metrick, C.M., Chodaparambil, J.V.
Deposit date:2019-04-06
Release date:2020-02-19
Last modified:2020-04-01
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Human PLD structures enable drug design and characterization of isoenzyme selectivity.
Nat.Chem.Biol., 16, 2020
6OHS
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STRUCTURE OF COMPOUND 3 (ML299) BOUND HUMAN PHOSPHOLIPASE D2 CATALYTIC DOMAIN
Descriptor:Phospholipase D2, 4-bromo-N-{(2S)-1-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]propan-2-yl}benzamide
Authors:Metrick, C.M., Chodaparambil, J.V.
Deposit date:2019-04-06
Release date:2020-02-19
Last modified:2020-04-01
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Human PLD structures enable drug design and characterization of isoenzyme selectivity.
Nat.Chem.Biol., 16, 2020
6OIA
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(1S,3S)-3-AMINO-4-(PERFLUOROPROPAN-2-YLIDENE)CYCLOPENTANE-1-CARBOXYLIC ACID HYDROCHLORIDE, A POTENT INHIBITOR OF ORNITHINE AMINOTRANSFERASE
Descriptor:Ornithine aminotransferase, mitochondrial, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Catlin, D.S., Liu, D., Moschitto, M.J., Doubleday, P.F., Kelleher, N., Silverman, R.B.
Deposit date:2019-04-09
Release date:2019-09-18
Last modified:2020-04-01
Method:X-RAY DIFFRACTION (1.777 Å)
Cite:Mechanism of Inactivation of Ornithine Aminotransferase by (1S,3S)-3-Amino-4-(hexafluoropropan-2-ylidenyl)cyclopentane-1-carboxylic Acid.
J.Am.Chem.Soc., 141, 2019
6OKO
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CRYSTAL STRUCTURE OF MRIPK3 COMPLEXED WITH N-(3-FLUORO-4-{1H-PYRROLO[2,3-B]PYRIDIN-4-YLOXY}PHENYL)-1-(4-FLUOROPHENYL)-2-OXO-1,2-DIHYDROPYRIDINE-3-CARBOXAMIDE
Descriptor:Receptor-interacting serine/threonine-protein kinase 3, 1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1,2-dihydropyridine-3-carboxamide
Authors:Pokross, M.E.
Deposit date:2019-04-14
Release date:2019-07-17
Last modified:2020-04-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of RIPK3 Type II Inhibitors Using High-Throughput Mechanistic Studies in Hit Triage.
Acs Med.Chem.Lett., 11, 2020