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6Y0P
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BU of 6y0p by Molmil
isopenicillin N synthase in complex with IPN and Fe using FT-SSX methods
Descriptor: FE (III) ION, ISOPENICILLIN N, Isopenicillin N synthase, ...
Authors:Rabe, P, Beale, J.H, Lang, P.A, Dirr, A.S, Leissing, T.M, Butryn, A, Aller, P, Kamps, J.J.A.G, Axford, D, McDonough, M.A, Orville, A.M, Owen, R, Schofield, C.J.
Deposit date:2020-02-10
Release date:2021-02-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis.
Sci Adv, 7, 2021
6NPQ
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BU of 6npq by Molmil
Pseudomonas fluorescens isocyanide hydratase at 298 K XFEL data
Descriptor: Isonitrile hydratase InhA
Authors:Dasgupta, M, van den Bedem, H, Wilson, M.A.
Deposit date:2019-01-18
Release date:2019-11-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Mix-and-inject XFEL crystallography reveals gated conformational dynamics during enzyme catalysis.
Proc.Natl.Acad.Sci.USA, 116, 2019
6NIA
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BU of 6nia by Molmil
Pseudomonas fluorescens isocyanide hydratase at 100 K helical disorder model
Descriptor: 1,2-ETHANEDIOL, Isonitrile hydratase InhA
Authors:Wilson, M.A, Dasgupta, M, van den Bedem, H.
Deposit date:2018-12-26
Release date:2019-11-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Mix-and-inject XFEL crystallography reveals gated conformational dynamics during enzyme catalysis.
Proc.Natl.Acad.Sci.USA, 116, 2019
6NI9
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BU of 6ni9 by Molmil
Pseudomonas fluorescens isocyanide hydratase at 274 K qFit multiconformer model
Descriptor: Isonitrile hydratase InhA
Authors:Wilson, M.A, Dasgupta, M, van den Bedem, H.
Deposit date:2018-12-26
Release date:2019-11-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.201 Å)
Cite:Mix-and-inject XFEL crystallography reveals gated conformational dynamics during enzyme catalysis.
Proc.Natl.Acad.Sci.USA, 116, 2019
6NI6
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BU of 6ni6 by Molmil
Pseudomonas fluorescens isocyanide hydratase at 274 K
Descriptor: Isonitrile hydratase InhA
Authors:Wilson, M.A, Dasgupta, M, van den Bedem, H.
Deposit date:2018-12-26
Release date:2019-11-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.201 Å)
Cite:Mix-and-inject XFEL crystallography reveals gated conformational dynamics during enzyme catalysis.
Proc.Natl.Acad.Sci.USA, 116, 2019
6NI5
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BU of 6ni5 by Molmil
Pseudomonas fluorescens isocyanide hydratase at 274 K G150A mutant
Descriptor: Isonitrile hydratase InhA
Authors:Wilson, M.A, Dasgupta, M, van den Bedem, H.
Deposit date:2018-12-26
Release date:2019-11-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Mix-and-inject XFEL crystallography reveals gated conformational dynamics during enzyme catalysis.
Proc.Natl.Acad.Sci.USA, 116, 2019
6NI4
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BU of 6ni4 by Molmil
Pseudomonas fluorescens isocyanide hydratase at 277 K G150T mutant
Descriptor: Isonitrile hydratase InhA
Authors:Wilson, M.A, Dasgupta, M, van den Bedem, H.
Deposit date:2018-12-26
Release date:2019-11-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Mix-and-inject XFEL crystallography reveals gated conformational dynamics during enzyme catalysis.
Proc.Natl.Acad.Sci.USA, 116, 2019
6NI7
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BU of 6ni7 by Molmil
Pseudomonas fluorescens isocyanide hydratase at 277 K
Descriptor: Isonitrile hydratase InhA
Authors:Wilson, M.A, Dasgupta, M, van den Bedem, H.
Deposit date:2018-12-26
Release date:2019-11-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Mix-and-inject XFEL crystallography reveals gated conformational dynamics during enzyme catalysis.
Proc.Natl.Acad.Sci.USA, 116, 2019
5UM1
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BU of 5um1 by Molmil
XFEL structure of influenza A M2 wild type TM domain at intermediate pH in the lipidic cubic phase at room temperature
Descriptor: CALCIUM ION, CHLORIDE ION, Matrix protein 2
Authors:Thomaston, J.L, Woldeyes, R.A, Fraser, J.S, DeGrado, W.F.
Deposit date:2017-01-25
Release date:2017-08-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.451 Å)
Cite:XFEL structures of the influenza M2 proton channel: Room temperature water networks and insights into proton conduction.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5TTC
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BU of 5ttc by Molmil
XFEL structure of influenza A M2 wild type TM domain at high pH in the lipidic cubic phase at room temperature
Descriptor: CALCIUM ION, CHLORIDE ION, Matrix protein 2
Authors:Thomaston, J.L, Woldeyes, R.A, Fraser, J.S, DeGrado, W.F.
Deposit date:2016-11-02
Release date:2017-08-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:XFEL structures of the influenza M2 proton channel: Room temperature water networks and insights into proton conduction.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
4WL6
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BU of 4wl6 by Molmil
Raster-scanning protein crystallography using micro and nano-focused synchrotron beams
Descriptor: CHLORIDE ION, Lysozyme C
Authors:Coquelle, N, Kapp, U, Shilova, A, Weinhausen, B, Burghammer, M, Colletier, J.P.
Deposit date:2014-10-06
Release date:2015-05-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Raster-scanning serial protein crystallography using micro- and nano-focused synchrotron beams.
Acta Crystallogr.,Sect.D, 71, 2015
8BT3
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BU of 8bt3 by Molmil
Ribonucleotide Reductase class Ie R2 from Mesoplasma florum, catalytically active radical state solved by XFEL
Descriptor: Ribonucleoside-diphosphate reductase beta chain
Authors:Lebrette, H, Srinivas, V, Hogbom, M.
Deposit date:2022-11-27
Release date:2023-11-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of a ribonucleotide reductase R2 protein radical.
Science, 382, 2023
8BT4
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BU of 8bt4 by Molmil
Ribonucleotide Reductase class Ie R2 from Mesoplasma florum, radical-lost ground state
Descriptor: CALCIUM ION, GLYCEROL, Ribonucleoside-diphosphate reductase
Authors:Lebrette, H, Srinivas, V, Hogbom, M.
Deposit date:2022-11-27
Release date:2023-11-01
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structure of a ribonucleotide reductase R2 protein radical.
Science, 382, 2023
7BH4
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BU of 7bh4 by Molmil
XFEL structure of apo CTX-M-15 after mixing for 0.7 sec with ertapenem using a piezoelectric injector (PolyPico)
Descriptor: Beta-lactamase, SULFATE ION
Authors:Hinchliffe, P, Tooke, C.L, Butryn, A, Spencer, J.
Deposit date:2021-01-10
Release date:2021-07-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:An on-demand, drop-on-drop method for studying enzyme catalysis by serial crystallography.
Nat Commun, 12, 2021
7BHN
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BU of 7bhn by Molmil
Crystal structure of hen egg white lysozyme using drop-on-drop SFX method - 2 s mixing with N-acetyl-D-glucosamine.
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, CHLORIDE ION, Lysozyme, ...
Authors:Butryn, A, Orville, A.M.
Deposit date:2021-01-11
Release date:2021-07-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:An on-demand, drop-on-drop method for studying enzyme catalysis by serial crystallography.
Nat Commun, 12, 2021
7BH5
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BU of 7bh5 by Molmil
XFEL structure of the ertapenem-derived CTX-M-15 acylenzyme after mixing for 2 sec using a piezoelectric injector (PolyPico)
Descriptor: (2~{S},3~{R},4~{R})-3-[5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-4-methyl-5-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-2-carboxylic acid, Beta-lactamase, CHLORIDE ION, ...
Authors:Hinchliffe, P, Tooke, C.L, Butryn, A, Spencer, J.
Deposit date:2021-01-10
Release date:2021-07-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:An on-demand, drop-on-drop method for studying enzyme catalysis by serial crystallography.
Nat Commun, 12, 2021
7BHM
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BU of 7bhm by Molmil
Crystal structure of hen egg white lysozyme using drop-on-drop SFX method - 0.7 s mixing with N-acetyl-D-glucosamine.
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, CHLORIDE ION, Lysozyme, ...
Authors:Butryn, A, Orville, A.M.
Deposit date:2021-01-11
Release date:2021-07-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:An on-demand, drop-on-drop method for studying enzyme catalysis by serial crystallography.
Nat Commun, 12, 2021
7BH7
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BU of 7bh7 by Molmil
Room temperature, serial X-ray structure of the ertapenem-derived acylenzyme of CTX-M-15 (10 min soak) collected on fixed target chips at Diamond Light Source I24
Descriptor: (2~{S},3~{R},4~{R})-3-[5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-4-methyl-5-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-2-carboxylic acid, Beta-lactamase, CHLORIDE ION, ...
Authors:Hinchliffe, P, Tooke, C.L, Butryn, A, Spencer, J.
Deposit date:2021-01-10
Release date:2021-07-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:An on-demand, drop-on-drop method for studying enzyme catalysis by serial crystallography.
Nat Commun, 12, 2021
7BH6
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BU of 7bh6 by Molmil
Room temperature, serial X-ray structure of CTX-M-15 collected on fixed target chips at Diamond Light Source I24
Descriptor: Beta-lactamase, CHLORIDE ION, SODIUM ION, ...
Authors:Hinchliffe, P, Tooke, C.L, Butryn, A, Spencer, J.
Deposit date:2021-01-10
Release date:2021-07-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:An on-demand, drop-on-drop method for studying enzyme catalysis by serial crystallography.
Nat Commun, 12, 2021
7BHK
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BU of 7bhk by Molmil
Crystal structure of hen egg white lysozyme using drop-on-drop SFX method.
Descriptor: CHLORIDE ION, Lysozyme, SODIUM ION
Authors:Butryn, A, Orville, A.M.
Deposit date:2021-01-11
Release date:2021-07-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:An on-demand, drop-on-drop method for studying enzyme catalysis by serial crystallography.
Nat Commun, 12, 2021
7BH3
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BU of 7bh3 by Molmil
XFEL structure of CTX-M-15 resting state
Descriptor: Beta-lactamase, CHLORIDE ION, SULFATE ION
Authors:Hinchliffe, P, Tooke, C.L, Butryn, A, Spencer, J.
Deposit date:2021-01-10
Release date:2021-07-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:An on-demand, drop-on-drop method for studying enzyme catalysis by serial crystallography.
Nat Commun, 12, 2021
7BHL
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BU of 7bhl by Molmil
Crystal structure of hen egg white lysozyme using drop-on-drop SFX method - 0.2 s mixing with N-acetyl-D-glucosamine.
Descriptor: CHLORIDE ION, Lysozyme, SODIUM ION
Authors:Butryn, A, Orville, A.M.
Deposit date:2021-01-11
Release date:2021-07-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:An on-demand, drop-on-drop method for studying enzyme catalysis by serial crystallography.
Nat Commun, 12, 2021
5JOO
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BU of 5joo by Molmil
XFEL structure of influenza A M2 wild type TM domain at low pH in the lipidic cubic phase at room temperature
Descriptor: CALCIUM ION, CHLORIDE ION, Matrix protein 2
Authors:Thomaston, J.L, Woldeyes, R.A, Fraser, J.S, DeGrado, W.F.
Deposit date:2016-05-02
Release date:2017-08-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.413 Å)
Cite:XFEL structures of the influenza M2 proton channel: Room temperature water networks and insights into proton conduction.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6YD0
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BU of 6yd0 by Molmil
XFEL structure of the Soluble methane monooxygenase hydroxylase and regulatory subunit complex, from Methylosinus trichosporium OB3b, diferric state
Descriptor: FE (III) ION, GLYCEROL, Methane monooxygenase, ...
Authors:Srinivas, V, Hogbom, M.
Deposit date:2020-03-19
Release date:2020-09-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:High-Resolution XFEL Structure of the Soluble Methane Monooxygenase Hydroxylase Complex with its Regulatory Component at Ambient Temperature in Two Oxidation States.
J. Am. Chem. Soc., 142, 2020
6YDI
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BU of 6ydi by Molmil
XFEL structure of the Soluble methane monooxygenase hydroxylase and regulatory subunit complex, from Methylosinus trichosporium OB3b, diferrous state
Descriptor: FE (II) ION, GLYCEROL, Methane monooxygenase, ...
Authors:Srinivas, V, Hogbom, M.
Deposit date:2020-03-20
Release date:2020-09-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:High-Resolution XFEL Structure of the Soluble Methane Monooxygenase Hydroxylase Complex with its Regulatory Component at Ambient Temperature in Two Oxidation States.
J. Am. Chem. Soc., 142, 2020

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