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6QC0
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PCNA COMPLEX WITH CDT2 C-TERMINAL PIP-BOX PEPTIDE
Descriptor:Proliferating cell nuclear antigen, Denticleless protein homolog
Authors:Perrakis, A.P., von Castelmur, E.
Deposit date:2018-12-25
Release date:2019-01-23
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Direct binding of Cdt2 to PCNA is important for targeting the CRL4Cdt2E3 ligase activity to Cdt1.
Life Sci Alliance, 1, 2018
6J0J
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CRYSTAL STRUCTURE OF PROLIFERATING CELL NUCLEAR ANTIGEN FROM LEISHMANIA DONOVANI WITH AN UNEXPLAINED DENSITY NEAR RESIDUES PRO229,PR0267 AND ALA285
Descriptor:Proliferating cell nuclear antigen, DI(HYDROXYETHYL)ETHER, GLYCEROL
Authors:Iqbal, N., Sharma, S., Singh, T.P.
Deposit date:2018-12-24
Release date:2019-01-23
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal structure of Proliferating Cell Nuclear Antigen from Leishmania donovani with an unexplained density near residues Pro229,Pr0267 and Ala285
To Be Published
6NHW
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STRUCTURE OF THE TRANSMEMBRANE DOMAIN OF THE DEATH RECEPTOR 5 - DIMER OF TRIMER
Descriptor:Tumor necrosis factor receptor superfamily member 10B
Authors:Chou, J.J., Pan, L., Fu, Q., Zhao, L., Chen, W., Piai, A., Fu, T., Wu, H.
Deposit date:2018-12-24
Release date:2019-02-27
Last modified:2019-03-20
Method:SOLUTION NMR
Cite:Higher-Order Clustering of the Transmembrane Anchor of DR5 Drives Signaling.
Cell, 176, 2019
6NHX
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MYCOBACTERIAL DNA LIGASE D COMPLEXED WITH ATP AND MES
Descriptor:ATP-dependent DNA ligase, ADENOSINE-5'-TRIPHOSPHATE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID
Authors:Shuman, S., Unciuleac, M., Goldgur, Y.
Deposit date:2018-12-24
Release date:2019-02-13
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structures of ATP-bound DNA ligase D in a closed domain conformation reveal a network of amino acid and metal contacts to the ATP phosphates.
J. Biol. Chem., 2019
6NHY
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STRUCTURE OF THE TRANSMEMBRANE DOMAIN OF THE DEATH RECEPTOR 5 MUTANT (G217Y) - TRIMER ONLY
Descriptor:Tumor necrosis factor receptor superfamily member 10B
Authors:Chou, J.J., Pan, L., Zhao, L., Chen, W., Piai, A., Fu, T., Wu, H., Liu, Z.
Deposit date:2018-12-24
Release date:2019-02-27
Last modified:2019-03-20
Method:SOLUTION NMR
Cite:Higher-Order Clustering of the Transmembrane Anchor of DR5 Drives Signaling.
Cell, 176, 2019
6NHZ
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MYCOBACTERIAL DNA LIGASE D COMPLEXED WITH ATP AND MG
Descriptor:ATP-dependent DNA ligase, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION
Authors:Shuman, S., Unciuleac, M., Goldgur, Y.
Deposit date:2018-12-24
Release date:2019-02-13
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structures of ATP-bound DNA ligase D in a closed domain conformation reveal a network of amino acid and metal contacts to the ATP phosphates.
J. Biol. Chem., 2019
6NHL
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CRYSTAL STRUCTURE OF QUEE FROM ESCHERICHIA COLI
Descriptor:7-carboxy-7-deazaguanine synthase, FE (III) ION, IRON/SULFUR CLUSTER, ...
Authors:Grell, T.A.J., Bell, B.N., Nguyen, C., Dowling, D.P., Drennan, C.L.
Deposit date:2018-12-23
Release date:2019-01-16
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:Crystal structure of AdoMet radical enzyme 7-carboxy-7-deazaguanine synthase from Escherichia coli suggests how modifications near [4Fe-4S] cluster engender flavodoxin specificity.
Protein Sci., 28, 2019
6NHS
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CRYSTAL STRUCTURE OF THE BETA LACTAMASE CLASS D YBXI FROM NOSTOC
Descriptor:Beta-lactamase, CHLORIDE ION, FORMIC ACID, ...
Authors:Kim, Y., Tesar, C., Endres, M., Babnigg, G., Joachimiak, A., Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-12-23
Release date:2019-01-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of the Beta Lactamase Class D YbXI from Nostoc
To Be Published
6NHU
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CRYSTAL STRUCTURE OF THE BETA LACTAMASE CLASS D YBXI FROM AGROBACTERIUM FABRUM
Descriptor:Beta-lactamase, GLYCEROL, PHOSPHATE ION, ...
Authors:Kim, Y., Welk, L., Endres, M., Babnigg, G., Joachimiak, A., Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-12-23
Release date:2019-01-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of the Beta Lactamase Class D YbxI from Agrobacterium fabrum
To Be Published
6NHJ
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ATOMIC STRUCTURES AND DELETION MUTANT REVEAL DIFFERENT CAPSID-BINDING PATTERNS AND FUNCTIONAL SIGNIFICANCE OF TEGUMENT PROTEIN PP150 IN MURINE AND HUMAN CYTOMEGALOVIRUSES WITH IMPLICATIONS FOR THERAPEUTIC DEVELOPMENT
Descriptor:Major capsid protein, Tegument protein, Small capsomere-interacting protein, ...
Authors:Liu, W., Dai, X.H., Jih, J., Chan, K., Trang, P., Yu, X.K., Balogun, R., Mei, Y., Liu, F.Y., Zhou, Z.H.
Deposit date:2018-12-22
Release date:2019-03-06
Method:ELECTRON MICROSCOPY (5 Å)
Cite:Atomic structures and deletion mutant reveal different capsid-binding patterns and functional significance of tegument protein pp150 in murine and human cytomegaloviruses with implications for therapeutic development.
PLoS Pathog., 15, 2019
6J07
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CRYSTAL STRUCTURE OF HUMAN TERB2 AND TERB1
Descriptor:Telomere repeats-binding bouquet formation protein 2, Telomere repeats-binding bouquet formation protein 1, ZINC ION
Authors:Wang, Y., Chen, Y., Wu, J., Huang, C., Lei, M.
Deposit date:2018-12-21
Release date:2019-02-27
Method:X-RAY DIFFRACTION (3.298 Å)
Cite:The meiotic TERB1-TERB2-MAJIN complex tethers telomeres to the nuclear envelope.
Nat Commun, 10, 2019
6J08
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CRYSTAL STRUCTURE OF HUMAN MAJIN AND TERB2
Descriptor:Membrane-anchored junction protein, Telomere repeats-binding bouquet formation protein 2
Authors:Wang, Y., Chen, Y., Wu, J., Huang, C., Lei, M.
Deposit date:2018-12-21
Release date:2019-02-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The meiotic TERB1-TERB2-MAJIN complex tethers telomeres to the nuclear envelope.
Nat Commun, 10, 2019
6NFX
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MBTD1 MBT REPEATS
Descriptor:MBT domain-containing protein 1,Enhancer of polycomb homolog 1, UNKNOWN ATOM OR ION, SODIUM ION, ...
Authors:Zhang, H., Tempel, W., Bountra, C., Arrowsmith, C.H., Edwards, A.M., Min, J., Structural Genomics Consortium (SGC)
Deposit date:2018-12-21
Release date:2019-01-30
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:MBTD1 MBT repeats
To Be Published
6NG1
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STRUCTURE OF HUMAN NEURONAL NITRIC OXIDE SYNTHASE R354A/G357D MUTANT HEME DOMAIN IN COMPLEX WITH 6-(3-FLUORO-5-(3-(METHYLAMINO)PROP-1-YN-1-YL)PHENETHYL)-4-METHYLPYRIDIN-2-AMINE
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2018-12-21
Release date:2019-03-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold.
J. Med. Chem., 2019
6NG2
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STRUCTURE OF HUMAN NEURONAL NITRIC OXIDE SYNTHASE R354A/G357D MUTANT HEME DOMAIN IN COMPLEX WITH 6-(3-(3-(DIMETHYLAMINO)PROP-1-YN-1-YL)-5-FLUOROPHENETHYL)-4-METHYLPYRIDIN-2-AMINE
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2018-12-21
Release date:2019-03-13
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold.
J. Med. Chem., 2019
6NG4
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STRUCTURE OF HUMAN NEURONAL NITRIC OXIDE SYNTHASE R354A/G357D MUTANT HEME DOMAIN IN COMPLEX WITH (R)-6-(3-FLUORO-5-(2-(PYRROLIDIN-2-YL)ETHYL)PHENETHYL)-4-METHYLPYRIDIN-2-AMINE
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2018-12-21
Release date:2019-03-13
Method:X-RAY DIFFRACTION (1.776 Å)
Cite:Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold.
J. Med. Chem., 2019
6NG5
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STRUCTURE OF HUMAN NEURONAL NITRIC OXIDE SYNTHASE R354A/G357D MUTANT HEME DOMAIN IN COMPLEX WITH (R)-6-(3-FLUORO-5-(2-(1-METHYLPYRROLIDIN-2-YL)ETHYL)PHENETHYL)-4-METHYLPYRIDIN-2-AMINE
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2018-12-21
Release date:2019-03-13
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold.
J. Med. Chem., 2019
6NG6
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STRUCTURE OF HUMAN NEURONAL NITRIC OXIDE SYNTHASE R354A/G357D MUTANT HEME DOMAIN IN COMPLEX WITH (S)-6-(3-FLUORO-5-(2-(PYRROLIDIN-2-YL)ETHYL)PHENETHYL)-4-METHYLPYRIDIN-2-AMINE
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2018-12-21
Release date:2019-03-13
Method:X-RAY DIFFRACTION (2.044 Å)
Cite:Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold.
J. Med. Chem., 2019
6NG7
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STRUCTURE OF HUMAN NEURONAL NITRIC OXIDE SYNTHASE R354A/G357D MUTANT HEME DOMAIN IN COMPLEX WITH 6-(3-FLUORO-5-(2-((2R,4S)-4-FLUORO-1-METHYLPYRROLIDIN-2-YL)ETHYL)PHENETHYL)-4-METHYLPYRIDIN-2-AMINE
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2018-12-21
Release date:2019-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold.
J. Med. Chem., 2019
6NG8
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STRUCTURE OF HUMAN NEURONAL NITRIC OXIDE SYNTHASE R354A/G357D MUTANT HEME DOMAIN IN COMPLEX WITH 6-(5-(3-(DIMETHYLAMINO)PROPYL)-2,3-DIFLUOROPHENETHYL)-4-METHYLPYRIDIN-2-AMINE
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2018-12-21
Release date:2019-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold.
J. Med. Chem., 2019
6NGA
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STRUCTURE OF HUMAN NEURONAL NITRIC OXIDE SYNTHASE R354A/G357D MUTANT HEME DOMAIN IN COMPLEX WITH 6-(3-(3-(DIMETHYLAMINO)PROPYL)-2,6-DIFLUOROPHENETHYL)-4-METHYLPYRIDIN-2-AMINE
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2018-12-21
Release date:2019-03-13
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold.
J. Med. Chem., 2019
6NGB
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STRUCTURE OF HUMAN NEURONAL NITRIC OXIDE SYNTHASE R354A/G357D MUTANT HEME DOMAIN IN COMPLEX WITH 6-(3-(3-(DIMETHYLAMINO)PROPYL)-2,5-DIFLUOROPHENETHYL)-4-METHYLPYRIDIN-2-AMINE
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2018-12-21
Release date:2019-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold.
J. Med. Chem., 2019
6NGC
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STRUCTURE OF HUMAN NEURONAL NITRIC OXIDE SYNTHASE R354A/G357D MUTANT HEME DOMAIN IN COMPLEX WITH 6-(3-(3-(DIMETHYLAMINO)PROPYL)-2,5,6-TRIFLUOROPHENETHYL)-4-METHYLPYRIDIN-2-AMINE
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2018-12-21
Release date:2019-03-13
Method:X-RAY DIFFRACTION (1.998 Å)
Cite:Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold.
J. Med. Chem., 2019
6NGD
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STRUCTURE OF HUMAN NEURONAL NITRIC OXIDE SYNTHASE R354A/G357D MUTANT HEME DOMAIN IN COMPLEX WITH 6-(5-(3-(DIMETHYLAMINO)PROPYL)-2,3,4-TRIFLUOROPHENETHYL)-4-METHYLPYRIDIN-2-AMINE
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2018-12-21
Release date:2019-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold.
J. Med. Chem., 2019
6NGE
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STRUCTURE OF HUMAN NEURONAL NITRIC OXIDE SYNTHASE R354A/G357D MUTANT HEME DOMAIN IN COMPLEX WITH 6-(2,3-DIFLUORO-5-(3-(METHYLAMINO)PROP-1-YN-1-YL)PHENETHYL)-4-METHYLPYRIDIN-2-AMINE
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2018-12-21
Release date:2019-03-13
Method:X-RAY DIFFRACTION (2.102 Å)
Cite:Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold.
J. Med. Chem., 2019