6UFE
 
 | | The structure of a potassium selective ion channel at atomic resolution | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Transporter | | Authors: | Langan, P.S, Vandavasi, V.G, Sullivan, B, Afonine, P.V, Weiss, K.L. | | Deposit date: | 2019-09-24 | | Release date: | 2020-08-05 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | The structure of a potassium-selective ion channel reveals a hydrophobic gate regulating ion permeation.
Iucrj, 7, 2020
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6V8Y
 | | Structure of a Sodium Potassium ion Channel | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Potassium channel protein, ... | | Authors: | Roy, R, Weiss, K.L, Coates, L. | | Deposit date: | 2019-12-12 | | Release date: | 2021-04-14 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Structural plasticity of the selectivity filter in a nonselective ion channel.
Iucrj, 8, 2021
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6U58
 | | Toho1 Beta Lactamase Glu166Gln Mutant | | Descriptor: | Beta-lactamase, SULFATE ION | | Authors: | Langan, P.S, Sullivan, B, Weiss, K.L. | | Deposit date: | 2019-08-27 | | Release date: | 2020-02-19 | | Last modified: | 2024-04-03 | | Method: | NEUTRON DIFFRACTION (1.9 Å), X-RAY DIFFRACTION | | Cite: | Probing the Role of the Conserved Residue Glu166 in a Class A Beta-Lactamase Using Neutron and X-ray Protein Crystallography
Acta Crystallogr.,Sect.D, 76, 2020
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5G18
 | | Direct Observation of Active-site Protonation States in a Class A beta lactamase with a monobactam substrate | | Descriptor: | 2-({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-{[(2S,3S)-1-oxo-3-(sulfoamino)butan-2-yl]amino}ethylidene]amino}oxy)-2-methylpropanoic acid, BETA-LACTAMASE CTX-M-97, SULFATE ION | | Authors: | Vandavasi, V.G, Weiss, K.L, Parks, J.M, Cooper, J.B, Ginell, S.L, Coates, L. | | Deposit date: | 2016-03-23 | | Release date: | 2016-11-09 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Active-Site Protonation States in an Acyl-Enzyme Intermediate of a Class A beta-Lactamase with a Monobactam Substrate.
Antimicrob. Agents Chemother., 61, 2017
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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 | | Last modified: | 2024-10-16 | | Method: | NEUTRON DIFFRACTION (2.3 Å) | | Cite: | Revealing the atomic and electronic mechanism of human manganese superoxide dismutase product inhibition.
Nat Commun, 15, 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 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Revealing the atomic and electronic mechanism of human manganese superoxide dismutase product inhibition.
Nat Commun, 15, 2024
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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 | | Last modified: | 2024-10-16 | | Method: | NEUTRON DIFFRACTION (2.3 Å) | | Cite: | Revealing the atomic and electronic mechanism of human manganese superoxide dismutase product inhibition.
Nat Commun, 15, 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 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Revealing the atomic and electronic mechanism of human manganese superoxide dismutase product inhibition.
Nat Commun, 15, 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 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Revealing the atomic and electronic mechanism of human manganese superoxide dismutase product inhibition.
Nat Commun, 15, 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 | | Last modified: | 2024-10-16 | | Method: | NEUTRON DIFFRACTION (2.3 Å) | | Cite: | Revealing the atomic and electronic mechanism of human manganese superoxide dismutase product inhibition.
Nat Commun, 15, 2024
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4RSG
 | | Neutron crystal structure of Ras bound to the GTP analogue GppNHp | | Descriptor: | GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | | Authors: | Knihtila, R.R, Holzapfel, G, Weiss, K.L, Meilleur, F, Mattos, C. | | Deposit date: | 2014-11-07 | | Release date: | 2015-11-04 | | Last modified: | 2024-02-28 | | Method: | NEUTRON DIFFRACTION (1.907 Å) | | Cite: | Neutron Crystal Structure of RAS GTPase Puts in Question the Protonation State of the GTP gamma-Phosphate.
J.Biol.Chem., 290, 2015
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5KSC
 | | E166A/R274N/R276N Toho-1 Beta-lactamase aztreonam acyl-enzyme intermediate | | Descriptor: | 2-({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-{[(2S,3S)-1-oxo-3-(sulfoamino)butan-2-yl]amino}ethylidene]amino}oxy)-2-methylpropanoic acid, Beta-lactamase Toho-1 | | Authors: | Vandavasi, V.G, Langan, P.S, Weiss, K, Parks, J.M, Cooper, J.B, Ginell, S.L, Coates, L. | | Deposit date: | 2016-07-08 | | Release date: | 2016-11-09 | | Last modified: | 2024-10-09 | | Method: | NEUTRON DIFFRACTION (2.1 Å) | | Cite: | Active-Site Protonation States in an Acyl-Enzyme Intermediate of a Class A beta-Lactamase with a Monobactam Substrate.
Antimicrob. Agents Chemother., 61, 2017
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9BWQ
 | | X-ray Counterpart to the Neutron Structure of Peroxide-Soaked Tyr34Phe MnSOD | | Descriptor: | HYDROGEN PEROXIDE, MANGANESE (II) ION, PHOSPHATE ION, ... | | Authors: | Azadmanesh, J, Slobodnik, K, Struble, L.R, Cone, E.A, Dasgupta, M, Lutz, W.E, Kumar, S, Natarajan, A, Coates, L, Weiss, K.L, Myles, D.A.A, Kroll, T, Borgstahl, G.E.O. | | Deposit date: | 2024-05-21 | | Release date: | 2025-03-12 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | The role of Tyr34 in proton coupled electron transfer and product inhibition of manganese superoxide dismutase.
Nat Commun, 16, 2025
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9BWR
 | | X-ray Counterpart to the Neutron Structure of Reduced Tyr34Phe MnSOD | | Descriptor: | MANGANESE (II) ION, PHOSPHATE ION, POTASSIUM ION, ... | | Authors: | Azadmanesh, J, Slobodnik, K, Struble, L.R, Cone, E.A, Dasgupta, M, Lutz, W.E, Kumar, S, Natarajan, A, Coates, L, Weiss, K.L, Myles, D.A.A, Kroll, T, Borgstahl, G.E.O. | | Deposit date: | 2024-05-21 | | Release date: | 2025-03-12 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The role of Tyr34 in proton coupled electron transfer and product inhibition of manganese superoxide dismutase.
Nat Commun, 16, 2025
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9BW2
 | | Neutron Structure of Reduced Tyr34Phe MnSOD | | Descriptor: | MANGANESE (II) ION, Superoxide dismutase [Mn], mitochondrial | | Authors: | Azadmanesh, J, Slobodnik, K, Struble, L.R, Cone, E.A, Dasgupta, M, Lutz, W.E, Kumar, S, Natarajan, A, Coates, L, Weiss, K.L, Myles, D.A.A, Kroll, T, Borgstahl, G.E.O. | | Deposit date: | 2024-05-20 | | Release date: | 2025-03-12 | | Method: | NEUTRON DIFFRACTION (2.5 Å) | | Cite: | The role of Tyr34 in proton coupled electron transfer and product inhibition of manganese superoxide dismutase.
Nat Commun, 16, 2025
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9BVY
 | | Neutron Structure of Peroxide-Soaked Tyr34Phe MnSOD | | Descriptor: | HYDROGEN PEROXIDE, MANGANESE (II) ION, Superoxide dismutase [Mn], ... | | Authors: | Azadmanesh, J, Slobodnik, K, Struble, L.R, Cone, E.A, Dasgupta, M, Lutz, W.E, Kumar, S, Natarajan, A, Coates, L, Weiss, K.L, Myles, D.A.A, Kroll, T, Borgstahl, G.E.O. | | Deposit date: | 2024-05-20 | | Release date: | 2025-03-12 | | Method: | NEUTRON DIFFRACTION (2.3 Å) | | Cite: | The role of Tyr34 in proton coupled electron transfer and product inhibition of manganese superoxide dismutase.
Nat Commun, 16, 2025
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9BWM
 | | Neutron Structure of Oxidized Tyr34Phe MnSOD | | Descriptor: | MANGANESE (II) ION, Superoxide dismutase [Mn], mitochondrial | | Authors: | Azadmanesh, J, Slobodnik, K, Struble, L.R, Cone, E.A, Dasgupta, M, Lutz, W.E, Kumar, S, Natarajan, A, Coates, L, Weiss, K.L, Myles, D.A.A, Kroll, T, Borgstahl, G.E.O. | | Deposit date: | 2024-05-21 | | Release date: | 2025-03-12 | | Method: | NEUTRON DIFFRACTION (2.28 Å) | | Cite: | The role of Tyr34 in proton coupled electron transfer and product inhibition of manganese superoxide dismutase.
Nat Commun, 16, 2025
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5KMW
 | | TOHO1 Beta lactamase mutant E166A/R274N/R276N -benzyl penicillin complex | | Descriptor: | Beta-lactamase Toho-1, OPEN FORM - PENICILLIN G, PENICILLIN G, ... | | Authors: | Coates, L, Langan, P.S, Vandavasi, V.G, Weiss, K.L, Cooper, J.B, Ginell, S.L. | | Deposit date: | 2016-06-27 | | Release date: | 2017-03-01 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | TOHO1 Beta lactamase mutant E166A/R274N/R276N -benzyl penicillin complex
to be published
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3SS2
 | | Neutron structure of perdeuterated rubredoxin using 48 hours 3rd pass data | | Descriptor: | FE (III) ION, Rubredoxin | | Authors: | Munshi, P, Chung, C.-L, Blakeley, M.P, Weiss, K.L, Myles, D.A.A, Meilleur, F. | | Deposit date: | 2011-07-07 | | Release date: | 2011-12-28 | | Last modified: | 2023-09-13 | | Method: | NEUTRON DIFFRACTION (1.75 Å) | | Cite: | Rapid visualization of hydrogen positions in protein neutron crystallographic structures.
Acta Crystallogr.,Sect.D, 68, 2012
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6C7A
 | | Conformational Changes in a Class A Beta lactamase that Prime it for Catalysis | | Descriptor: | Beta-lactamase Toho-1, SULFATE ION | | Authors: | Coates, L, Langan, P.S, Vandavasi, V.G, Cooper, S.J, Weiss, K.L, Ginell, S.L, Parks, J.M. | | Deposit date: | 2018-01-22 | | Release date: | 2018-03-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Substrate Binding Induces Conformational Changes in a Class A Beta-lactamase That Prime It for Catalysis
Acs Catalysis, 8, 2018
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6C79
 | | Conformational Changes in a Class A Beta lactamase that Prime it for Catalysis | | Descriptor: | (6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxo-5-thia-1-azabicy clo[4.2.0]oct-2-ene-2-carboxylic acid, Beta-lactamase Toho-1, SULFATE ION | | Authors: | Coates, L, Langan, P.S, Vandavasi, V.G, Cooper, S.J, Weiss, K.L, Ginell, S.L, Parks, J.M. | | Deposit date: | 2018-01-22 | | Release date: | 2018-03-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Substrate Binding Induces Conformational Changes in a Class A Beta-lactamase That Prime It for Catalysis
Acs Catalysis, 8, 2018
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6C78
 | | Substrate Binding Induces Conformational Changes In A Class A Beta Lactamase That Primes It For Catalysis | | Descriptor: | Beta-lactamase Toho-1 | | Authors: | Langan, P.S, Vandavasi, V.G, Cooper, S.J, Weiss, K.L, Ginell, S.L, Parks, J.M, Coates, L. | | Deposit date: | 2018-01-22 | | Release date: | 2018-03-21 | | Last modified: | 2024-03-13 | | Method: | NEUTRON DIFFRACTION (1.75 Å) | | Cite: | Substrate Binding Induces Conformational Changes in a Class A Beta-lactamase That Prime It for Catalysis
Acs Catalysis, 8, 2018
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3RZ6
 | | Neutron structure of perdeuterated rubredoxin using 40 hours 1st pass data | | Descriptor: | FE (III) ION, Rubredoxin | | Authors: | Munshi, P, Chung, C.-L, Weiss, K.L, Blakeley, M.P, Myles, D.A.A, Meilleur, F. | | Deposit date: | 2011-05-11 | | Release date: | 2011-12-28 | | Last modified: | 2023-09-13 | | Method: | NEUTRON DIFFRACTION (1.75 Å) | | Cite: | Rapid visualization of hydrogen positions in protein neutron crystallographic structures.
Acta Crystallogr.,Sect.D, 68, 2012
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3RZT
 | | Neutron structure of perdeuterated rubredoxin using rapid (14 hours) data | | Descriptor: | FE (III) ION, Rubredoxin | | Authors: | Munshi, P, Chung, C.-L, Weiss, K.L, Blakeley, M.P, Myles, D.A.A, Meilleur, F. | | Deposit date: | 2011-05-12 | | Release date: | 2011-12-28 | | Last modified: | 2023-09-13 | | Method: | NEUTRON DIFFRACTION (1.7504 Å) | | Cite: | Rapid visualization of hydrogen positions in protein neutron crystallographic structures.
Acta Crystallogr.,Sect.D, 68, 2012
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3RYG
 | | 128 hours neutron structure of perdeuterated rubredoxin | | Descriptor: | FE (III) ION, Rubredoxin | | Authors: | Munshi, P, Chung, C.-L, Weiss, K.L, Blakeley, M.P, Myles, D.A.A, Meilleur, F. | | Deposit date: | 2011-05-11 | | Release date: | 2011-12-28 | | Last modified: | 2023-09-13 | | Method: | NEUTRON DIFFRACTION (1.75 Å) | | Cite: | Rapid visualization of hydrogen positions in protein neutron crystallographic structures.
Acta Crystallogr.,Sect.D, 68, 2012
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