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6X9K
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BU of 6x9k by Molmil
Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA and Inhibitor GSK3685032A
Descriptor: (2R)-2-{[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethylpyridin-2-yl]sulfanyl}-2-phenylacetamide, 1,2-ETHANEDIOL, DNA (5'-D(*GP*AP*GP*GP*CP*(5CM)P*GP*CP*CP*TP*GP*C)-3'), ...
Authors:Pathuri, S, Horton, J.R, Cheng, X.
Deposit date:2020-06-02
Release date:2021-07-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Discovery of a first-in-class reversible DNMT1-selective inhibitor with improved tolerability and efficacy in acute myeloid leukemia.
Nat Cancer, 2, 2021
6X9J
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BU of 6x9j by Molmil
Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA and Inhibitor GSK3830052
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*GP*AP*GP*GP*CP*(5CM)P*GP*CP*CP*TP*GP*C)-3'), DNA (5'-D(*GP*CP*AP*GP*G)-R(P*(PYO))-D(P*GP*GP*CP*CP*TP*C)-3'), ...
Authors:Pathuri, S, Horton, J.R, Cheng, X.
Deposit date:2020-06-02
Release date:2021-07-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Discovery of a first-in-class reversible DNMT1-selective inhibitor with improved tolerability and efficacy in acute myeloid leukemia.
Nat Cancer, 2, 2021
4BI5
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BU of 4bi5 by Molmil
CRYSTAL STRUCTURE OF A DOUBLE MUTANT (C202A AND C222D) OF TRIOSEPHOSPHATE ISOMERASE FROM GIARDIA LAMBLIA.
Descriptor: TRIOSEPHOSPHATE ISOMERASE
Authors:Torres-Larios, A, Enriquez-Flores, S, Reyes-Vivas, H, Oria-Hernandez, J, Hernandez-Alcantara, G.
Deposit date:2013-04-09
Release date:2013-06-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural and Functional Perturbation of Giardia Lamblia Triosephosphate Isomerase by Modification of a Non-Catalytic, Non-Conserved Region.
Plos One, 8, 2013
4BI6
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BU of 4bi6 by Molmil
CRYSTAL STRUCTURE OF A TRIPLE MUTANT (A198V, C202A AND C222N) OF TRIOSEPHOSPHATE ISOMERASE FROM GIARDIA LAMBLIA. COMPLEXED WITH 2- PHOSPHOGLYCOLIC ACID
Descriptor: 2-PHOSPHOGLYCOLIC ACID, TRIOSEPHOSPHATE ISOMERASE
Authors:Torres-Larios, A, Enriquez-Flores, S, Reyes-Vivas, H, Oria-Hernandez, J, Hernandez-Alcantara, G.
Deposit date:2013-04-09
Release date:2013-05-29
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural and Functional Perturbation of Giardia Lamblia Triosephosphate Isomerase by Modification of a Non-Catalytic, Non-Conserved Region.
Plos One, 8, 2013
4BI7
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BU of 4bi7 by Molmil
CRYSTAL STRUCTURE OF A MUTANT (C202A) OF TRIOSEPHOSPHATE ISOMERASE FROM GIARDIA LAMBLIA COMPLEXED WITH 2-PHOSPHOGLYCOLIC ACID
Descriptor: 2-PHOSPHOGLYCOLIC ACID, SULFATE ION, TRIOSEPHOSPHATE ISOMERASE
Authors:Torres-Larios, A, Enriquez-Flores, S, Reyes-Vivas, H, Oria-Hernandez, J, Hernandez-Alcantara, G.
Deposit date:2013-04-09
Release date:2013-05-29
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and Functional Perturbation of Giardia Lamblia Triosephosphate Isomerase by Modification of a Non-Catalytic, Non-Conserved Region.
Plos One, 8, 2013
6YRZ
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BU of 6yrz by Molmil
Crystal structure of FAP et pH 8.5 after illumination at 150K
Descriptor: CARBON DIOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, Fatty acid photodecarboxylase, ...
Authors:Sorigue, D, Legrand, P, Blangy, S, Beisson, F, Arnoux, P.
Deposit date:2020-04-20
Release date:2021-04-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.824 Å)
Cite:Mechanism and dynamics of fatty acid photodecarboxylase.
Science, 372, 2021
7AV4
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BU of 7av4 by Molmil
Dark state structure of the C432S mutant of Fatty Acid Photodecarboxylase (FAP)
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Fatty acid photodecarboxylase, chloroplastic, ...
Authors:Schlichting, I, Hartmann, E, Arnoux, P, Sorigue, D, Beisson, F.
Deposit date:2020-11-04
Release date:2021-04-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.936 Å)
Cite:Mechanism and dynamics of fatty acid photodecarboxylase.
Science, 372, 2021
7ZMY
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BU of 7zmy by Molmil
Crystal structure of the light-driven inward proton pump xenorhodopsin BcXeR in the ground state at pH 8.2 in the presence of sodium at 100K
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, OLEIC ACID, ...
Authors:Kovalev, K, Tsybrov, F, Alekseev, A, Bourenkov, G, Gordeliy, V.
Deposit date:2022-04-20
Release date:2023-05-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Mechanisms of inward transmembrane proton translocation.
Nat.Struct.Mol.Biol., 30, 2023
7ZN0
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BU of 7zn0 by Molmil
Crystal structure of the light-driven inward proton pump xenorhodopsin BcXeR in the M state at pH 8.2 in the presence of sodium at 100K
Descriptor: EICOSANE, OLEIC ACID, PHOSPHATE ION, ...
Authors:Kovalev, K, Tsybrov, F, Alekseev, A, Bourenkov, G, Gordeliy, V.
Deposit date:2022-04-20
Release date:2023-05-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Mechanisms of inward transmembrane proton translocation.
Nat.Struct.Mol.Biol., 30, 2023
7ZN3
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BU of 7zn3 by Molmil
Crystal structure of the light-driven inward proton pump xenorhodopsin BcXeR in the L state at pH 8.2 in the presence of sodium at 100K
Descriptor: EICOSANE, OLEIC ACID, PHOSPHATE ION, ...
Authors:Kovalev, K, Tsybrov, F, Alekseev, A, Bourenkov, G, Gordeliy, V.
Deposit date:2022-04-20
Release date:2023-05-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Mechanisms of inward transmembrane proton translocation.
Nat.Struct.Mol.Biol., 30, 2023
7ZN9
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BU of 7zn9 by Molmil
Crystal structure of the light-driven inward proton pump xenorhodopsin BcXeR in the M state at pH 7.0 in the presence of sodium at 100K
Descriptor: EICOSANE, OLEIC ACID, PHOSPHATE ION, ...
Authors:Kovalev, K, Tsybrov, F, Alekseev, A, Bourenkov, G, Gordeliy, V.
Deposit date:2022-04-20
Release date:2023-05-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Mechanisms of inward transmembrane proton translocation.
Nat.Struct.Mol.Biol., 30, 2023
7ZNB
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BU of 7znb by Molmil
Crystal structure of the light-driven inward proton pump xenorhodopsin BcXeR in the M state at pH 5.2 in the presence of sodium at 100K
Descriptor: EICOSANE, OLEIC ACID, PHOSPHATE ION, ...
Authors:Kovalev, K, Tsybrov, F, Alekseev, A, Bourenkov, G, Gordeliy, V.
Deposit date:2022-04-20
Release date:2023-05-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mechanisms of inward transmembrane proton translocation.
Nat.Struct.Mol.Biol., 30, 2023
7ZNA
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BU of 7zna by Molmil
Crystal structure of the light-driven inward proton pump xenorhodopsin BcXeR in the ground state at pH 5.2 in the presence of sodium at 100K
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, OLEIC ACID, ...
Authors:Kovalev, K, Tsybrov, F, Alekseev, A, Bourenkov, G, Gordeliy, V.
Deposit date:2022-04-20
Release date:2023-05-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mechanisms of inward transmembrane proton translocation.
Nat.Struct.Mol.Biol., 30, 2023
7ZND
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BU of 7znd by Molmil
Crystal structure of the light-driven inward proton pump xenorhodopsin BcXeR in the M state at pH 7.6 in the absence of sodium at 100K
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, OLEIC ACID, ...
Authors:Kovalev, K, Tsybrov, F, Alekseev, A, Bourenkov, G, Gordeliy, V.
Deposit date:2022-04-20
Release date:2023-05-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.985 Å)
Cite:Mechanisms of inward transmembrane proton translocation.
Nat.Struct.Mol.Biol., 30, 2023
7ZN8
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BU of 7zn8 by Molmil
Crystal structure of the light-driven inward proton pump xenorhodopsin BcXeR in the ground state at pH 7.0 in the presence of sodium at 100K
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, OLEIC ACID, ...
Authors:Kovalev, K, Tsybrov, F, Alekseev, A, Bourenkov, G, Gordeliy, V.
Deposit date:2022-04-20
Release date:2023-05-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Mechanisms of inward transmembrane proton translocation.
Nat.Struct.Mol.Biol., 30, 2023
7ZNC
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BU of 7znc by Molmil
Crystal structure of the light-driven inward proton pump xenorhodopsin BcXeR in the ground state at pH 7.6 in the absence of sodium at 100K
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, OLEIC ACID, ...
Authors:Kovalev, K, Tsybrov, F, Alekseev, A, Bourenkov, G, Gordeliy, V.
Deposit date:2022-04-20
Release date:2023-05-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Mechanisms of inward transmembrane proton translocation.
Nat.Struct.Mol.Biol., 30, 2023
7ZNE
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BU of 7zne by Molmil
Crystal structure of the light-driven inward proton pump xenorhodopsin BcXeR in the ground state at pH 8.2 at room temperature, 7.5-ms-long snapshots
Descriptor: EICOSANE, OLEIC ACID, PHOSPHATE ION, ...
Authors:Kovalev, K, Tsybrov, F, Alekseev, A, Bourenkov, G, Gordeliy, V.
Deposit date:2022-04-20
Release date:2023-05-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Mechanisms of inward transmembrane proton translocation.
Nat.Struct.Mol.Biol., 30, 2023
7ZNG
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BU of 7zng by Molmil
Crystal structure of the light-driven inward proton pump xenorhodopsin BcXeR in the ground state at pH 8.2 at room temperature, 500-mks-long snapshots
Descriptor: EICOSANE, OLEIC ACID, PHOSPHATE ION, ...
Authors:Kovalev, K, Tsybrov, F, Alekseev, A, Bourenkov, G, Gordeliy, V.
Deposit date:2022-04-20
Release date:2023-05-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Mechanisms of inward transmembrane proton translocation.
Nat.Struct.Mol.Biol., 30, 2023
7ZNH
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BU of 7znh by Molmil
Crystal structure of the light-driven inward proton pump xenorhodopsin BcXeR in the activated state at pH 8.2 at room temperature, 250-750-mks-snapshot
Descriptor: EICOSANE, OLEIC ACID, PHOSPHATE ION, ...
Authors:Kovalev, K, Tsybrov, F, Alekseev, A, Bourenkov, G, Gordeliy, V.
Deposit date:2022-04-20
Release date:2023-05-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Mechanisms of inward transmembrane proton translocation.
Nat.Struct.Mol.Biol., 30, 2023
7ZNI
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BU of 7zni by Molmil
Crystal structure of the light-driven inward proton pump xenorhodopsin BcXeR in the activated state at pH 8.2 at room temperature, 7.5-15-ms-snapshot
Descriptor: EICOSANE, OLEIC ACID, PHOSPHATE ION, ...
Authors:Kovalev, K, Tsybrov, F, Alekseev, A, Bourenkov, G, Gordeliy, V.
Deposit date:2022-04-20
Release date:2023-05-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Mechanisms of inward transmembrane proton translocation.
Nat.Struct.Mol.Biol., 30, 2023
6ZI9
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BU of 6zi9 by Molmil
Ultrafast Structural Response to Charge Redistribution Within a Photosynthetic Reaction Centre - 300 ps (b) structure
Descriptor: 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ...
Authors:Baath, P, Dods, R, Braenden, G, Neutze, R.
Deposit date:2020-06-25
Release date:2020-12-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Ultrafast structural changes within a photosynthetic reaction centre.
Nature, 589, 2021
6ZID
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BU of 6zid by Molmil
Ultrafast Structural Response to Charge Redistribution Within a Photosynthetic Reaction Centre - 5 ps (b) structure
Descriptor: 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ...
Authors:Baath, P, Dods, R, Braenden, G, Neutze, R.
Deposit date:2020-06-25
Release date:2020-12-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Ultrafast structural changes within a photosynthetic reaction centre.
Nature, 589, 2021
5DE1
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BU of 5de1 by Molmil
Crystal structure of human IDH1 in complex with GSK321A
Descriptor: (7R)-1-(4-fluorobenzyl)-N-{3-[(1S)-1-hydroxyethyl]phenyl}-7-methyl-5-(1H-pyrrol-2-ylcarbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide, Isocitrate dehydrogenase [NADP] cytoplasmic, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Concha, N.O, Smallwood, A, Qi, H.
Deposit date:2015-08-25
Release date:2015-10-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:New IDH1 mutant inhibitors for treatment of acute myeloid leukemia.
Nat.Chem.Biol., 11, 2015
6ZIA
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BU of 6zia by Molmil
Ultrafast Structural Response to Charge Redistribution Within a Photosynthetic Reaction Centre - 8 us structure
Descriptor: 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ...
Authors:Baath, P, Dods, R, Braenden, G, Neutze, R.
Deposit date:2020-06-25
Release date:2020-12-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Ultrafast structural changes within a photosynthetic reaction centre.
Nature, 589, 2021
4TTT
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BU of 4ttt by Molmil
Crystal structure of an O2-tolerant [NiFe]-hydrogenase from Ralstonia eutropha in its as-isolated form - oxidized state 3
Descriptor: CHLORIDE ION, FE3-S4 CLUSTER, FE4-S3 CLUSTER, ...
Authors:Schmidt, A, Kalms, J, Scheerer, P.
Deposit date:2014-06-23
Release date:2015-01-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Tracking the route of molecular oxygen in O2-tolerant membrane-bound [NiFe] hydrogenase
Proc.Natl.Acad.Sci.Usa, 2018

221371

数据于2024-06-19公开中

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