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6NY3
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BU of 6ny3 by Molmil
CasX ternary complex with 30bp target DNA
Descriptor: CasX, DNA Non-target strand, DNA target strand, ...
Authors:Liu, J.J, Orlova, N, Nogales, E, Doudna, J.A.
Deposit date:2019-02-10
Release date:2019-02-27
Last modified:2019-12-25
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:CasX enzymes comprise a distinct family of RNA-guided genome editors.
Nature, 566, 2019
6NY2
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BU of 6ny2 by Molmil
CasX-gRNA-DNA(45bp) state I
Descriptor: CasX, DNA Non-target strand, DNA target strand, ...
Authors:Liu, J.J, Orlova, N, Nogales, E, Doudna, J.A.
Deposit date:2019-02-10
Release date:2019-02-27
Last modified:2019-12-25
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:CasX enzymes comprise a distinct family of RNA-guided genome editors.
Nature, 566, 2019
6NY1
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BU of 6ny1 by Molmil
CasX-gRNA-DNA(30bp) State II
Descriptor: CasX, DNA Non-target strand, DNA target strand, ...
Authors:Liu, J.J, Orlova, N, Nogales, E, Doudna, J.A.
Deposit date:2019-02-10
Release date:2019-02-27
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:CasX enzymes comprise a distinct family of RNA-guided genome editors.
Nature, 566, 2019
6RJ3
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BU of 6rj3 by Molmil
Crystal structure of PHGDH in complex with compound 15
Descriptor: 4-[(1~{R})-1-[(2-methyl-5-phenyl-pyrazol-3-yl)carbonylamino]ethyl]benzoic acid, D-3-phosphoglycerate dehydrogenase, SULFATE ION
Authors:Bader, G, Wolkerstorfer, B, Zoephel, A.
Deposit date:2019-04-26
Release date:2019-08-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis.
J.Med.Chem., 62, 2019
6RJ6
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BU of 6rj6 by Molmil
Crystal structure of PHGDH in complex with BI-4924
Descriptor: 2-[4-[(1~{S})-1-[[4,5-bis(chloranyl)-1,6-dimethyl-indol-2-yl]carbonylamino]-2-oxidanyl-ethyl]phenyl]sulfonylethanoic acid, D-3-phosphoglycerate dehydrogenase
Authors:Bader, G, Wolkerstorfer, B, Zoephel, A.
Deposit date:2019-04-26
Release date:2019-08-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.984 Å)
Cite:Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis.
J.Med.Chem., 62, 2019
6RJ5
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BU of 6rj5 by Molmil
Crystal structure of PHGDH in complex with compound 39
Descriptor: 2-methyl-~{N}-[(1~{R})-1-[4-(methylsulfonylcarbamoyl)phenyl]ethyl]-5-phenyl-pyrazole-3-carboxamide, D-3-phosphoglycerate dehydrogenase, SULFATE ION
Authors:Bader, G, Wolkerstorfer, B, Zoephel, A.
Deposit date:2019-04-26
Release date:2019-08-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis.
J.Med.Chem., 62, 2019
6RIH
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BU of 6rih by Molmil
Crystal structure of PHGDH in complex with compound 9
Descriptor: D-3-phosphoglycerate dehydrogenase, SULFATE ION, ~{N}-cyclopropyl-2-methyl-5-phenyl-pyrazole-3-carboxamide
Authors:Bader, G, Wolkerstorfer, B, Zoephel, A.
Deposit date:2019-04-24
Release date:2019-08-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis.
J.Med.Chem., 62, 2019
6RJ2
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BU of 6rj2 by Molmil
Crystal structure of PHGDH in complex with compound 40
Descriptor: D-3-phosphoglycerate dehydrogenase, SULFATE ION, ~{N}-[(1~{R})-1-[4-(ethanoylsulfamoyl)phenyl]ethyl]-2-methyl-5-phenyl-pyrazole-3-carboxamide
Authors:Bader, G, Wolkerstorfer, B, Zoephel, A.
Deposit date:2019-04-26
Release date:2019-08-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis.
J.Med.Chem., 62, 2019
6YVX
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BU of 6yvx by Molmil
HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with bicyclic BB-287
Descriptor: 4-(isoquinolin-3-ylamino)-4-oxobutanoic acid, BICARBONATE ION, Egl nine homolog 1, ...
Authors:Chowdhury, R, Banerji, B, Schofield, C.J.
Deposit date:2020-04-28
Release date:2020-12-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Use of cyclic peptides to induce crystallization: case study with prolyl hydroxylase domain 2.
Sci Rep, 10, 2020
1NIH
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BU of 1nih by Molmil
Structure of deoxy-quaternary haemoglobin with liganded beta subunits
Descriptor: CARBON MONOXIDE, HEMOGLOBIN (FERROUS CARBONMONOXY) (BETA CHAIN), HEMOGLOBIN (NICKELOUS DEOXY) (ALPHA CHAIN), ...
Authors:Luisi, B, Liddington, B.
Deposit date:1990-03-14
Release date:1992-10-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of deoxy-quaternary haemoglobin with liganded beta subunits.
J.Mol.Biol., 214, 1990
6YW1
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BU of 6yw1 by Molmil
HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with 2OG and RaPID-derived silent allosteric cyclic peptide 3C (14-mer)
Descriptor: 2-OXOGLUTARIC ACID, BICARBONATE ION, Egl nine homolog 1, ...
Authors:Chowdhury, R, Schofield, C.J.
Deposit date:2020-04-29
Release date:2020-12-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Use of cyclic peptides to induce crystallization: case study with prolyl hydroxylase domain 2.
Sci Rep, 10, 2020
6YW3
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BU of 6yw3 by Molmil
HIF PROLYL HYDROXYLASE 2 (PHD2/ EGLN1) in complex with N-Oxalyl Glycine (NOG), HIF-1ALPHA CODD (556-574) and a RaPID-derived cyclic peptide 3C (14-mer)
Descriptor: Egl nine homolog 1, GLYCEROL, Hypoxia-inducible factor 1-alpha, ...
Authors:Chowdhury, R, Schofield, C.J.
Deposit date:2020-04-29
Release date:2020-12-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.279 Å)
Cite:Use of cyclic peptides to induce crystallization: case study with prolyl hydroxylase domain 2.
Sci Rep, 10, 2020
6YVZ
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BU of 6yvz by Molmil
HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with bicyclic JLS-367
Descriptor: 4-[(5-bromanylisoquinolin-3-yl)amino]-4-oxidanylidene-butanoic acid, BICARBONATE ION, Egl nine homolog 1, ...
Authors:Chowdhury, R, Sorensen, J.L, Schofield, C.J.
Deposit date:2020-04-29
Release date:2020-12-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Use of cyclic peptides to induce crystallization: case study with prolyl hydroxylase domain 2.
Sci Rep, 10, 2020
6YW0
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BU of 6yw0 by Molmil
Lysine-N,N-Dimethylated HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with BB-287
Descriptor: 4-(isoquinolin-3-ylamino)-4-oxobutanoic acid, BICARBONATE ION, Egl nine homolog 1, ...
Authors:Chowdhury, R, Schofield, C.J.
Deposit date:2020-04-29
Release date:2020-12-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Use of cyclic peptides to induce crystallization: case study with prolyl hydroxylase domain 2.
Sci Rep, 10, 2020
7ACF
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BU of 7acf by Molmil
CRYSTAL STRUCTURE OF CRYSTAL FORM 2 OF AN ACTIVE KRAS G12D (GPPCP) DIMER IN COMPLEX WITH BI-5747
Descriptor: (3~{S})-5-oxidanyl-3-[2-[[6-[[3-[(1~{S})-6-oxidanyl-3-oxidanylidene-1,2-dihydroisoindol-1-yl]-1~{H}-indol-2-yl]methylamino]hexylamino]methyl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ...
Authors:Kessler, D.
Deposit date:2020-09-10
Release date:2020-11-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Reply to Tran et al.: Dimeric KRAS protein-protein interaction stabilizers.
Proc. Natl. Acad. Sci. U.S.A., 117, 2020
6YW2
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BU of 6yw2 by Molmil
HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with bicyclic FG2216 and RaPID-derived cyclic peptide 3C (14-mer)
Descriptor: Egl nine homolog 1, MANGANESE (II) ION, N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-3-YL)CARBONYL]GLYCINE, ...
Authors:Chowdhury, R, Schofield, C.J.
Deposit date:2020-04-29
Release date:2020-12-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Use of cyclic peptides to induce crystallization: case study with prolyl hydroxylase domain 2.
Sci Rep, 10, 2020
6YW4
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BU of 6yw4 by Molmil
HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with N-oxalylglycine (NOG) and a RaPID-derived silent allosteric cyclic peptide 3C (14-mer)
Descriptor: Egl nine homolog 1, MANGANESE (II) ION, N-OXALYLGLYCINE, ...
Authors:Chowdhury, R, Schofield, C.J.
Deposit date:2020-04-29
Release date:2020-12-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.528 Å)
Cite:Use of cyclic peptides to induce crystallization: case study with prolyl hydroxylase domain 2.
Sci Rep, 10, 2020
6CWA
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BU of 6cwa by Molmil
CRYSTAL STRUCTURE PHGDH IN COMPLEX WITH NADH AND 3-PHOSPHOGLYCERATE AT 1.77 A RESOLUTION
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 3-PHOSPHOGLYCERIC ACID, D-3-phosphoglycerate dehydrogenase
Authors:Davies, D.R, Edwards, T.E.
Deposit date:2018-03-30
Release date:2019-08-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis.
J.Med.Chem., 62, 2019
6G2O
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BU of 6g2o by Molmil
X-ray structure of NSD3-PWWP1 in complex with compound BI-9321
Descriptor: Histone-lysine N-methyltransferase NSD3, [4-[5-(7-fluoranylquinolin-4-yl)-1-methyl-imidazol-4-yl]-3,5-dimethyl-phenyl]methanamine
Authors:Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A.
Deposit date:2018-03-23
Release date:2019-06-26
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3.
Nat.Chem.Biol., 15, 2019
6G27
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BU of 6g27 by Molmil
X-ray structure of NSD3-PWWP1 in complex with compound 5
Descriptor: 5-methyl-6-phenyl-2-piperidin-4-yl-pyridazin-3-one, Histone-lysine N-methyltransferase NSD3
Authors:Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A.
Deposit date:2018-03-22
Release date:2019-06-26
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3.
Nat.Chem.Biol., 15, 2019
8FYA
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BU of 8fya by Molmil
Cryo-EM structure of Cas1:Cas2-DEDDh:PAM-containing prespacer complex
Descriptor: Cas1, Cas2-DEDDh, DNA (28-MER), ...
Authors:Skopintsev, P, Tuck, O.T, Soczek, K.M, Doudna, J.
Deposit date:2023-01-25
Release date:2023-05-03
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.91 Å)
Cite:Genome expansion by a CRISPR trimmer-integrase.
Nature, 618, 2023
8FYB
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BU of 8fyb by Molmil
Cryo-EM structure of Cas1:Cas2-DEDDh:half-site integration complex
Descriptor: Cas1, Cas2-DEDDh, DNA (17-MER), ...
Authors:Skopintsev, P, Tuck, O.T, Soczek, K.M, Doudna, J.
Deposit date:2023-01-25
Release date:2023-05-03
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Genome expansion by a CRISPR trimmer-integrase.
Nature, 618, 2023
8FYC
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BU of 8fyc by Molmil
Cryo-EM structure of Cas1:Cas2-DEDDh:half-site integration complex linear CRISPR repeat conformation
Descriptor: Cas1, Cas2-DEDDh, DEDDh, ...
Authors:Skopintsev, P, Tuck, O.T, Soczek, K.M, Doudna, J.
Deposit date:2023-01-25
Release date:2023-05-03
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Genome expansion by a CRISPR trimmer-integrase.
Nature, 618, 2023
8FY9
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BU of 8fy9 by Molmil
Cryo-EM structure of Cas1:Cas2-DEDDh:PAM-deficient prespacer complex
Descriptor: Cas1, Cas2-DEDDh, DNA (28-MER)
Authors:Skopintsev, P, Tuck, O.T, Soczek, K.M, Doudna, J.
Deposit date:2023-01-25
Release date:2023-05-03
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Genome expansion by a CRISPR trimmer-integrase.
Nature, 618, 2023
8FYD
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BU of 8fyd by Molmil
Cryo-EM structure of Cas1:Cas2-DEDDh:half-site integration complex bent CRISPR repeat conformation
Descriptor: Cas1, Cas2-DEDDh, DNA (13-MER), ...
Authors:Skopintsev, P, Tuck, O.T, Soczek, K.M, Doudna, J.
Deposit date:2023-01-25
Release date:2023-05-03
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Genome expansion by a CRISPR trimmer-integrase.
Nature, 618, 2023

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