8VHW
 
 | | Neutron Structure of Peroxide-Soaked Trp161Phe MnSOD | | Descriptor: | HYDROGEN PEROXIDE, MANGANESE (II) ION, Superoxide dismutase [Mn], ... | | Authors: | Azadmanesh, J, Slobodnik, K, Struble, L.R, Lutz, W.E, Coates, L, Weiss, K.L, Myles, D.A.A, Kroll, T, Borgstahl, G.E.O. | | Deposit date: | 2024-01-02 | | Release date: | 2024-07-31 | | Method: | NEUTRON DIFFRACTION (2.3 Å) | | Cite: | Revealing the atomic and electronic mechanism of human manganese superoxide dismutase product inhibition.
Biorxiv, 2024
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8VHY
 | | Neutron Structure of Reduced Trp161Phe MnSOD | | Descriptor: | MANGANESE (II) ION, Superoxide dismutase [Mn], mitochondrial | | Authors: | Azadmanesh, J, Slobodnik, K, Struble, L.R, Lutz, W.E, Coates, L, Weiss, K.L, Myles, D.A.A, Kroll, T, Borgstahl, G.E.O. | | Deposit date: | 2024-01-02 | | Release date: | 2024-07-31 | | Method: | NEUTRON DIFFRACTION (2.3 Å) | | Cite: | Revealing the atomic and electronic mechanism of human manganese superoxide dismutase product inhibition.
Biorxiv, 2024
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8VJ4
 | | X-ray Counterpart to the Neutron Structure of Peroxide-Soaked Trp161Phe MnSOD | | Descriptor: | HYDROGEN PEROXIDE, MANGANESE (II) ION, Superoxide dismutase [Mn], ... | | Authors: | Azadmanesh, J, Slobodnik, K, Struble, L.R, Lutz, W.E, Weiss, K.L, Myles, D.A.A, Kroll, T, Borgstahl, G.E.O. | | Deposit date: | 2024-01-05 | | Release date: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Revealing the atomic and electronic mechanism of human manganese superoxide dismutase product inhibition.
Biorxiv, 2024
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8VJ5
 | | Peroxide-Soaked MnSOD | | Descriptor: | HYDROGEN PEROXIDE, MANGANESE (II) ION, PHOSPHATE ION, ... | | Authors: | Azadmanesh, J, Slobodnik, K, Struble, L.R, Lutz, W.E, Weiss, K.L, Myles, D.A.A, Kroll, T, Borgstahl, G.E.O. | | Deposit date: | 2024-01-05 | | Release date: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Revealing the atomic and electronic mechanism of human manganese superoxide dismutase product inhibition.
Biorxiv, 2024
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8VJ0
 | | Neutron Structure of Oxidized Trp161Phe MnSOD | | Descriptor: | MANGANESE (II) ION, Superoxide dismutase [Mn], mitochondrial | | Authors: | Azadmanesh, J, Slobodnik, K, Struble, L.R, Lutz, W.E, Weiss, K.L, Myles, D.A.A, Kroll, T, Borgstahl, G.E.O. | | Deposit date: | 2024-01-05 | | Release date: | 2024-07-31 | | Method: | NEUTRON DIFFRACTION (2.3 Å) | | Cite: | Revealing the atomic and electronic mechanism of human manganese superoxide dismutase product inhibition.
Biorxiv, 2024
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8VJ8
 | | X-ray Counterpart to Neutron Structure of Reduced Trp161Phe MnSOD | | Descriptor: | MANGANESE (II) ION, PHOSPHATE ION, POTASSIUM ION, ... | | Authors: | Azadmanesh, J, Slobodnik, K, Struble, L.R, Lutz, W.E, Weiss, K.L, Myles, D.A.A, Kroll, T, Borgstahl, G.E.O. | | Deposit date: | 2024-01-05 | | Release date: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Revealing the atomic and electronic mechanism of human manganese superoxide dismutase product inhibition.
Biorxiv, 2024
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8PJO
 | | Cryo EM structure of the type 3D polymorph of alpha-synuclein E46K mutant at low pH. | | Descriptor: | Alpha-synuclein, CHLORIDE ION | | Authors: | Frey, L, Qureshi, B.M, Kwiatkowski, W, Rhyner, D, Greenwald, J, Riek, R. | | Deposit date: | 2023-06-23 | | Release date: | 2024-05-29 | | Last modified: | 2024-09-11 | | Method: | ELECTRON MICROSCOPY (2.31 Å) | | Cite: | On the pH-dependence of alpha-synuclein amyloid polymorphism and the role of secondary nucleation in seed-based amyloid propagation.
Elife, 12, 2024
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8PK2
 | | Cryo EM structure of the type 1m polymorph of alpha-synuclein | | Descriptor: | Alpha-synuclein | | Authors: | Frey, L, Qureshi, B.M, Kwiatkowski, W, Rhyner, D, Greenwald, J, Riek, R. | | Deposit date: | 2023-06-24 | | Release date: | 2024-05-29 | | Last modified: | 2024-09-11 | | Method: | ELECTRON MICROSCOPY (3.26 Å) | | Cite: | On the pH-dependence of alpha-synuclein amyloid polymorphism and the role of secondary nucleation in seed-based amyloid propagation.
Elife, 12, 2024
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8PK4
 | | Cryo EM structure of the type 5A polymorph of alpha-synuclein. | | Descriptor: | Alpha-synuclein | | Authors: | Frey, L, Qureshi, B.M, Kwiatkowski, W, Rhyner, D, Greenwald, J, Riek, R. | | Deposit date: | 2023-06-24 | | Release date: | 2024-05-29 | | Last modified: | 2024-09-11 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | On the pH-dependence of alpha-synuclein amyloid polymorphism and the role of secondary nucleation in seed-based amyloid propagation.
Elife, 12, 2024
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4C0B
 | | Structure of wild-type Clp1p-Pcf11p (454 -563) complex | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, MRNA CLEAVAGE AND POLYADENYLATION FACTOR CLP1, ... | | Authors: | Fribourg, S, Dupin, A.F. | | Deposit date: | 2013-08-01 | | Release date: | 2014-02-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.77 Å) | | Cite: | Structural basis for ATP loss by Clp1p in a G135R mutant protein.
Biochimie, 101, 2014
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5YDC
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5HDA
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1RR7
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7KLB
 | | X-ray Counterpart to Neutron Structure of Reduced Human MnSOD | | Descriptor: | MANGANESE (II) ION, PHOSPHATE ION, POTASSIUM ION, ... | | Authors: | Azadmanesh, J, Lutz, W.E, Coates, L, Weiss, K.L, Borgstahl, G.E.O. | | Deposit date: | 2020-10-29 | | Release date: | 2021-04-21 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Direct detection of coupled proton and electron transfers in human manganese superoxide dismutase.
Nat Commun, 12, 2021
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7KKW
 | | Neutron structure of Reduced Human MnSOD | | Descriptor: | MANGANESE (II) ION, Superoxide dismutase [Mn], mitochondrial, ... | | Authors: | Azadmanesh, J, Lutz, W.E, Coates, L, Weiss, K.L, Borgstahl, G.E.O. | | Deposit date: | 2020-10-28 | | Release date: | 2021-04-21 | | Last modified: | 2024-04-10 | | Method: | NEUTRON DIFFRACTION (2.3 Å) | | Cite: | Direct detection of coupled proton and electron transfers in human manganese superoxide dismutase.
Nat Commun, 12, 2021
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2GLI
 | | FIVE-FINGER GLI/DNA COMPLEX | | Descriptor: | COBALT (II) ION, DNA (5'-D(*AP*CP*GP*TP*GP*GP*AP*CP*CP*AP*CP*CP*CP*AP*AP*GP*AP*CP*GP*AP*A)-3'), DNA (5'-D(*TP*TP*TP*CP*GP*TP*CP*TP*TP*GP*GP*GP*TP*GP*GP*TP*CP*CP*AP*CP*G)-3'), ... | | Authors: | Pavletich, N.P, Pabo, C.O. | | Deposit date: | 1993-11-09 | | Release date: | 1993-11-09 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of a five-finger GLI-DNA complex: new perspectives on zinc fingers.
Science, 261, 1993
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6Q4B
 | | CDK2 in complex with FragLite13 | | Descriptor: | 5-bromanylpyrimidine, Cyclin-dependent kinase 2 | | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | | Deposit date: | 2018-12-05 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation.
J.Med.Chem., 62, 2019
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6Q4J
 | | CDK2 in complex with FragLite34 | | Descriptor: | 2-[3-(pyrimidin-4-ylamino)phenyl]ethanoic acid, Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE | | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | | Deposit date: | 2018-12-05 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation.
J.Med.Chem., 62, 2019
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6Q3C
 | | CDK2 in complex with FragLite1 | | Descriptor: | 4-bromo-1H-pyrazole, Cyclin-dependent kinase 2 | | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | | Deposit date: | 2018-12-04 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation.
J.Med.Chem., 62, 2019
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6Q3B
 | | CDK2 in complex with FragLite2 | | Descriptor: | 4-IODOPYRAZOLE, Cyclin-dependent kinase 2 | | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | | Deposit date: | 2018-12-04 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.11 Å) | | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation.
J.Med.Chem., 62, 2019
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6Q49
 | | CDK2 in complex with FragLite6 | | Descriptor: | 4-bromanyl-1~{H}-pyridin-2-one, Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE | | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | | Deposit date: | 2018-12-05 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation.
J.Med.Chem., 62, 2019
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6Q4G
 | | CDK2 in complex with FragLite37 | | Descriptor: | 2-[3-(2-azanyl-9~{H}-purin-6-yl)phenyl]ethanoic acid, Cyclin-dependent kinase 2 | | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | | Deposit date: | 2018-12-05 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (0.98 Å) | | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation.
J.Med.Chem., 62, 2019
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6Q48
 | | CDK2 in complex with FragLite7 | | Descriptor: | 4-iodanyl-3~{H}-pyridin-2-one, Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE | | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | | Deposit date: | 2018-12-05 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.03 Å) | | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation.
J.Med.Chem., 62, 2019
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6Q4H
 | | CDK2 in complex with FragLite36 | | Descriptor: | 2-[3-[(2-azanyl-9~{H}-purin-6-yl)oxy]phenyl]ethanoic acid, Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE | | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | | Deposit date: | 2018-12-05 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation.
J.Med.Chem., 62, 2019
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8CHT
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