5UEH
| Structure of GSTO1 covalently conjugated to quinolinic acid fluorosulfate | Descriptor: | 2-(4-chlorophenyl)-6-[(fluorosulfonyl)oxy]quinoline-4-carboxylic acid, GLYCEROL, Glutathione S-transferase omega-1, ... | Authors: | Mortenson, D.E, Wilson, I.A, Kelly, J.W. | Deposit date: | 2017-01-02 | Release date: | 2018-01-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | "Inverse Drug Discovery" Strategy To Identify Proteins That Are Targeted by Latent Electrophiles As Exemplified by Aryl Fluorosulfates. J. Am. Chem. Soc., 140, 2018
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5UT0
| JAK2 JH2 in complex with AT9283 | Descriptor: | 1-cyclopropyl-3-{3-[5-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl}urea, ACETATE ION, DIMETHYL SULFOXIDE, ... | Authors: | Puleo, D.E, Schlessinger, J. | Deposit date: | 2017-02-14 | Release date: | 2017-06-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.102 Å) | Cite: | Identification and Characterization of JAK2 Pseudokinase Domain Small Molecule Binders. ACS Med Chem Lett, 8, 2017
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5UT5
| JAK2 JH2 in complex with GLPG0634 | Descriptor: | ACETATE ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Puleo, D.E, Schlessinger, J. | Deposit date: | 2017-02-14 | Release date: | 2017-06-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | JAK2 JH2 Fluorescence Polarization Assay and Crystal Structures for Complexes with Three Small Molecules. ACS Med Chem Lett, 8, 2017
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4F1N
| Crystal structure of Kluyveromyces polysporus Argonaute with a guide RNA | Descriptor: | KpAGO, RNA 5'-R(P*UP*AP*AP*AP*AP*AP*AP*AP*A)-3' | Authors: | Nakanishi, K, Weinberg, D.E, Bartel, D.P, Patel, D.J. | Deposit date: | 2012-05-07 | Release date: | 2012-06-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.187 Å) | Cite: | Structure of yeast Argonaute with guide RNA. Nature, 486, 2012
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2PSR
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2ITE
| Crystal structure of the IsdA NEAT domain from Staphylococcus aureus | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Iron-regulated surface determinant protein A | Authors: | Grigg, J.C, Vermeiren, C.L, Heinrichs, D.E, Murphy, M.E. | Deposit date: | 2006-10-19 | Release date: | 2006-12-26 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Haem recognition by a Staphylococcus aureus NEAT domain. Mol.Microbiol., 63, 2007
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2ITF
| Crystal structure IsdA NEAT domain from Staphylococcus aureus with heme bound | Descriptor: | Iron-regulated surface determinant protein A, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Grigg, J.C, Vermeiren, C.L, Heinrichs, D.E, Murphy, M.E. | Deposit date: | 2006-10-19 | Release date: | 2006-12-26 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Haem recognition by a Staphylococcus aureus NEAT domain. Mol.Microbiol., 63, 2007
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2J4T
| Biological and Structural Features of Murine Angiogenin-4, an Angiogenic Protein | Descriptor: | ANGIOGENIN-4 | Authors: | Crabtree, B, Holloway, D.E, Baker, M.D, Acharya, K.R, Subramanian, V. | Deposit date: | 2006-09-05 | Release date: | 2007-02-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Biological and Structural Features of Murine Angiogenin-4, an Angiogenic Protein Biochemistry, 46, 2007
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7FDR
| 7-FE FERREDOXIN FROM AZOTOBACTER VINELANDII, NA DITHIONITE REDUCED, PH 8.5, 1.4A RESOLUTION, 100 K | Descriptor: | FE3-S4 CLUSTER, IRON/SULFUR CLUSTER, PROTEIN (7-FE FERREDOXIN I) | Authors: | Schipke, C.G, Goodin, D.B, Mcree, D.E, Stout, C.D. | Deposit date: | 1998-12-11 | Release date: | 1998-12-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | 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
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7FD1
| 7-FE FERREDOXIN FROM AZOTOBACTER VINELANDII AT PH 8.5, 100 K, 1.35 A | Descriptor: | FE3-S4 CLUSTER, IRON/SULFUR CLUSTER, PROTEIN (7-FE FERREDOXIN I) | Authors: | Stout, C.D, Stura, E.A, Mcree, D.E. | Deposit date: | 1998-12-11 | Release date: | 1998-12-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | 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
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2IW0
| Structure of the chitin deacetylase from the fungal pathogen Colletotrichum lindemuthianum | Descriptor: | ACETATE ION, CHITIN DEACETYLASE, CHLORIDE ION, ... | Authors: | Blair, D.E, Hekmat, O, Schuttelkopf, A.W, Shrestha, B, Tokuyasu, K, Withers, S.G, van Aalten, D.M.F. | Deposit date: | 2006-06-23 | Release date: | 2006-07-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Structure and Mechanism of Chitin Deacetylase from the Fungal Pathogen Colletotrichum Lindemuthianum. Biochemistry, 45, 2006
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2GDO
| 4-(Aminoalkylamino)-3-Benzimidazole-Quinolinones As Potent CHK1 Inhibitors | Descriptor: | 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 | Authors: | Le, V, Dove, J, Fang, E, Bussiere, D.E. | Deposit date: | 2006-03-16 | Release date: | 2007-03-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | 4-(Aminoalkylamino)-3-benzimidazole-quinolinones as potent CHK-1 inhibitors. Bioorg.Med.Chem.Lett., 16, 2006
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2HBM
| 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 | Descriptor: | Exosome complex exonuclease RRP6, MANGANESE (II) ION, URIDINE-5'-MONOPHOSPHATE, ... | Authors: | Midtgaard, S.F, Assenholt, J, Jonstrup, A.T, Van, L.B, Jensen, T.H, Brodersen, D.E. | Deposit date: | 2006-06-14 | Release date: | 2006-07-25 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | 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
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7FPM
| DHFR:NADP+:FOL complex at 280 K (crystal 2) | Descriptor: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | Authors: | Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R. | Deposit date: | 2022-09-09 | Release date: | 2023-09-20 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism. Proc.Natl.Acad.Sci.USA, 121, 2024
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7FPO
| DHFR:NADP+:FOL complex at 280 K (crystal 4) | Descriptor: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | Authors: | Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R. | Deposit date: | 2022-09-09 | Release date: | 2023-09-20 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.06 Å) | Cite: | Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism. Proc.Natl.Acad.Sci.USA, 121, 2024
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7FQ2
| DHFR:NADP+:FOL complex at 300 K (multi-crystal) | Descriptor: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | Authors: | Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R. | Deposit date: | 2022-09-10 | Release date: | 2023-09-20 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.07 Å) | Cite: | Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism. Proc.Natl.Acad.Sci.USA, 121, 2024
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7FPS
| DHFR:NADP+:FOL complex at 290 K (crystal 2) | Descriptor: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | Authors: | Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R. | Deposit date: | 2022-09-10 | Release date: | 2023-09-20 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism. Proc.Natl.Acad.Sci.USA, 121, 2024
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7FQ8
| DHFR:NADP+:FOL complex (crystal 1, pass 2, 310 K) | Descriptor: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | Authors: | Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R. | Deposit date: | 2022-09-12 | Release date: | 2023-09-20 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism. Proc.Natl.Acad.Sci.USA, 121, 2024
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7FQ5
| DHFR:NADP+:FOL complex at 310 K (crystal 3) | Descriptor: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | Authors: | Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R. | Deposit date: | 2022-09-12 | Release date: | 2023-09-20 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism. Proc.Natl.Acad.Sci.USA, 121, 2024
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7FQE
| DHFR:NADP+:FOL complex (crystal 2, pass 3, 295 K) | Descriptor: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | Authors: | Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R. | Deposit date: | 2022-09-12 | Release date: | 2023-09-20 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism. Proc.Natl.Acad.Sci.USA, 121, 2024
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7FQF
| DHFR:NADP+:FOL complex (crystal 2, pass 4, 310 K) | Descriptor: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | Authors: | Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R. | Deposit date: | 2022-09-12 | Release date: | 2023-09-20 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism. Proc.Natl.Acad.Sci.USA, 121, 2024
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7FQG
| DHFR:NADP+:FOL complex (crystal 2, pass 5, 295 K) | Descriptor: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | Authors: | Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R. | Deposit date: | 2022-09-12 | Release date: | 2023-09-20 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism. Proc.Natl.Acad.Sci.USA, 121, 2024
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7FPW
| DHFR:NADP+:FOL complex at 290 K (multi-crystal) | Descriptor: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | Authors: | Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R. | Deposit date: | 2022-09-10 | Release date: | 2023-09-20 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism. Proc.Natl.Acad.Sci.USA, 121, 2024
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7FPN
| DHFR:NADP+:FOL complex at 280 K (crystal 3) | Descriptor: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | Authors: | Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R. | Deposit date: | 2022-09-09 | Release date: | 2023-09-20 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism. Proc.Natl.Acad.Sci.USA, 121, 2024
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7FPT
| DHFR:NADP+:FOL complex at 290 K (crystal 3) | Descriptor: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | Authors: | Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R. | Deposit date: | 2022-09-10 | Release date: | 2023-09-20 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.07 Å) | Cite: | Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism. Proc.Natl.Acad.Sci.USA, 121, 2024
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