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PDB: 1222 件

5UEH
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Structure of GSTO1 covalently conjugated to quinolinic acid fluorosulfate
分子名称: 2-(4-chlorophenyl)-6-[(fluorosulfonyl)oxy]quinoline-4-carboxylic acid, GLYCEROL, Glutathione S-transferase omega-1, ...
著者Mortenson, D.E, Wilson, I.A, Kelly, J.W.
登録日2017-01-02
公開日2018-01-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献"Inverse Drug Discovery" Strategy To Identify Proteins That Are Targeted by Latent Electrophiles As Exemplified by Aryl Fluorosulfates.
J. Am. Chem. Soc., 140, 2018
5UT0
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JAK2 JH2 in complex with AT9283
分子名称: 1-cyclopropyl-3-{3-[5-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl}urea, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Puleo, D.E, Schlessinger, J.
登録日2017-02-14
公開日2017-06-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.102 Å)
主引用文献Identification and Characterization of JAK2 Pseudokinase Domain Small Molecule Binders.
ACS Med Chem Lett, 8, 2017
5UT5
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JAK2 JH2 in complex with GLPG0634
分子名称: ACETATE ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Puleo, D.E, Schlessinger, J.
登録日2017-02-14
公開日2017-06-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献JAK2 JH2 Fluorescence Polarization Assay and Crystal Structures for Complexes with Three Small Molecules.
ACS Med Chem Lett, 8, 2017
4F1N
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Crystal structure of Kluyveromyces polysporus Argonaute with a guide RNA
分子名称: KpAGO, RNA 5'-R(P*UP*AP*AP*AP*AP*AP*AP*AP*A)-3'
著者Nakanishi, K, Weinberg, D.E, Bartel, D.P, Patel, D.J.
登録日2012-05-07
公開日2012-06-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.187 Å)
主引用文献Structure of yeast Argonaute with guide RNA.
Nature, 486, 2012
2PSR
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HUMAN PSORIASIN (S100A7) CA2+ AND ZN2+ BOUND FORM (CRYSTAL FORM II)
分子名称: CALCIUM ION, PSORIASIN, ZINC ION
著者Brodersen, D.E, Nyborg, J, Kjeldgaard, M.
登録日1998-09-17
公開日1999-06-15
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Zinc-binding site of an S100 protein revealed. Two crystal structures of Ca2+-bound human psoriasin (S100A7) in the Zn2+-loaded and Zn2+-free states.
Biochemistry, 38, 1999
2ITE
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BU of 2ite by Molmil
Crystal structure of the IsdA NEAT domain from Staphylococcus aureus
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Iron-regulated surface determinant protein A
著者Grigg, J.C, Vermeiren, C.L, Heinrichs, D.E, Murphy, M.E.
登録日2006-10-19
公開日2006-12-26
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Haem recognition by a Staphylococcus aureus NEAT domain.
Mol.Microbiol., 63, 2007
2ITF
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Crystal structure IsdA NEAT domain from Staphylococcus aureus with heme bound
分子名称: Iron-regulated surface determinant protein A, PROTOPORPHYRIN IX CONTAINING FE
著者Grigg, J.C, Vermeiren, C.L, Heinrichs, D.E, Murphy, M.E.
登録日2006-10-19
公開日2006-12-26
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Haem recognition by a Staphylococcus aureus NEAT domain.
Mol.Microbiol., 63, 2007
2J4T
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Biological and Structural Features of Murine Angiogenin-4, an Angiogenic Protein
分子名称: ANGIOGENIN-4
著者Crabtree, B, Holloway, D.E, Baker, M.D, Acharya, K.R, Subramanian, V.
登録日2006-09-05
公開日2007-02-20
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Biological and Structural Features of Murine Angiogenin-4, an Angiogenic Protein
Biochemistry, 46, 2007
7FDR
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7-FE FERREDOXIN FROM AZOTOBACTER VINELANDII, NA DITHIONITE REDUCED, PH 8.5, 1.4A RESOLUTION, 100 K
分子名称: FE3-S4 CLUSTER, IRON/SULFUR CLUSTER, PROTEIN (7-FE FERREDOXIN I)
著者Schipke, C.G, Goodin, D.B, Mcree, D.E, Stout, C.D.
登録日1998-12-11
公開日1998-12-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Oxidized and reduced Azotobacter vinelandii ferredoxin I at 1.4 A resolution: conformational change of surface residues without significant change in the [3Fe-4S]+/0 cluster.
Biochemistry, 38, 1999
7FD1
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7-FE FERREDOXIN FROM AZOTOBACTER VINELANDII AT PH 8.5, 100 K, 1.35 A
分子名称: FE3-S4 CLUSTER, IRON/SULFUR CLUSTER, PROTEIN (7-FE FERREDOXIN I)
著者Stout, C.D, Stura, E.A, Mcree, D.E.
登録日1998-12-11
公開日1998-12-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Oxidized and reduced Azotobacter vinelandii ferredoxin I at 1.4 A resolution: conformational change of surface residues without significant change in the [3Fe-4S]+/0 cluster.
Biochemistry, 38, 1999
2IW0
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Structure of the chitin deacetylase from the fungal pathogen Colletotrichum lindemuthianum
分子名称: ACETATE ION, CHITIN DEACETYLASE, CHLORIDE ION, ...
著者Blair, D.E, Hekmat, O, Schuttelkopf, A.W, Shrestha, B, Tokuyasu, K, Withers, S.G, van Aalten, D.M.F.
登録日2006-06-23
公開日2006-07-04
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Structure and Mechanism of Chitin Deacetylase from the Fungal Pathogen Colletotrichum Lindemuthianum.
Biochemistry, 45, 2006
2GDO
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BU of 2gdo by Molmil
4-(Aminoalkylamino)-3-Benzimidazole-Quinolinones As Potent CHK1 Inhibitors
分子名称: 4-[(3S)-1-AZABICYCLO[2.2.2]OCT-3-YLAMINO]-3-(1H-BENZIMIDAZOL-2-YL)-6-CHLOROQUINOLIN-2(1H)-ONE, SULFATE ION, Serine/threonine-protein kinase Chk1
著者Le, V, Dove, J, Fang, E, Bussiere, D.E.
登録日2006-03-16
公開日2007-03-20
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献4-(Aminoalkylamino)-3-benzimidazole-quinolinones as potent CHK-1 inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
2HBM
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BU of 2hbm by Molmil
Structure of the yeast nuclear exosome component, Rrp6p, reveals an interplay between the active site and the HRDC domain; Protein in complex with Mn, Zn, and UMP
分子名称: Exosome complex exonuclease RRP6, MANGANESE (II) ION, URIDINE-5'-MONOPHOSPHATE, ...
著者Midtgaard, S.F, Assenholt, J, Jonstrup, A.T, Van, L.B, Jensen, T.H, Brodersen, D.E.
登録日2006-06-14
公開日2006-07-25
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure of the nuclear exosome component Rrp6p reveals an interplay between the active site and the HRDC domain.
Proc.Natl.Acad.Sci.Usa, 103, 2006
7FPM
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BU of 7fpm by Molmil
DHFR:NADP+:FOL complex at 280 K (crystal 2)
分子名称: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ...
著者Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R.
登録日2022-09-09
公開日2023-09-20
最終更新日2024-07-24
実験手法X-RAY DIFFRACTION (1.04 Å)
主引用文献Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism.
Proc.Natl.Acad.Sci.USA, 121, 2024
7FPO
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DHFR:NADP+:FOL complex at 280 K (crystal 4)
分子名称: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ...
著者Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R.
登録日2022-09-09
公開日2023-09-20
最終更新日2024-07-24
実験手法X-RAY DIFFRACTION (1.06 Å)
主引用文献Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism.
Proc.Natl.Acad.Sci.USA, 121, 2024
7FQ2
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DHFR:NADP+:FOL complex at 300 K (multi-crystal)
分子名称: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ...
著者Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R.
登録日2022-09-10
公開日2023-09-20
最終更新日2024-07-24
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism.
Proc.Natl.Acad.Sci.USA, 121, 2024
7FPS
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DHFR:NADP+:FOL complex at 290 K (crystal 2)
分子名称: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ...
著者Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R.
登録日2022-09-10
公開日2023-09-20
最終更新日2024-07-24
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism.
Proc.Natl.Acad.Sci.USA, 121, 2024
7FQ8
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DHFR:NADP+:FOL complex (crystal 1, pass 2, 310 K)
分子名称: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ...
著者Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R.
登録日2022-09-12
公開日2023-09-20
最終更新日2024-07-24
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism.
Proc.Natl.Acad.Sci.USA, 121, 2024
7FQ5
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DHFR:NADP+:FOL complex at 310 K (crystal 3)
分子名称: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ...
著者Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R.
登録日2022-09-12
公開日2023-09-20
最終更新日2024-07-24
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism.
Proc.Natl.Acad.Sci.USA, 121, 2024
7FQE
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DHFR:NADP+:FOL complex (crystal 2, pass 3, 295 K)
分子名称: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ...
著者Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R.
登録日2022-09-12
公開日2023-09-20
最終更新日2024-07-24
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism.
Proc.Natl.Acad.Sci.USA, 121, 2024
7FQF
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DHFR:NADP+:FOL complex (crystal 2, pass 4, 310 K)
分子名称: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ...
著者Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R.
登録日2022-09-12
公開日2023-09-20
最終更新日2024-07-24
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism.
Proc.Natl.Acad.Sci.USA, 121, 2024
7FQG
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DHFR:NADP+:FOL complex (crystal 2, pass 5, 295 K)
分子名称: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ...
著者Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R.
登録日2022-09-12
公開日2023-09-20
最終更新日2024-07-24
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism.
Proc.Natl.Acad.Sci.USA, 121, 2024
7FPW
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DHFR:NADP+:FOL complex at 290 K (multi-crystal)
分子名称: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ...
著者Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R.
登録日2022-09-10
公開日2023-09-20
最終更新日2024-07-24
実験手法X-RAY DIFFRACTION (1.04 Å)
主引用文献Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism.
Proc.Natl.Acad.Sci.USA, 121, 2024
7FPN
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DHFR:NADP+:FOL complex at 280 K (crystal 3)
分子名称: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ...
著者Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R.
登録日2022-09-09
公開日2023-09-20
最終更新日2024-07-24
実験手法X-RAY DIFFRACTION (1.04 Å)
主引用文献Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism.
Proc.Natl.Acad.Sci.USA, 121, 2024
7FPT
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DHFR:NADP+:FOL complex at 290 K (crystal 3)
分子名称: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ...
著者Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R.
登録日2022-09-10
公開日2023-09-20
最終更新日2024-07-24
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism.
Proc.Natl.Acad.Sci.USA, 121, 2024

224004

件を2024-08-21に公開中

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