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8AWU
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BU of 8awu by Molmil
Millisecond cryo-trapping by the spitrobot crystal plunger, Xylose Isomerase with Glucose at 250ms
Descriptor: MAGNESIUM ION, MANGANESE (II) ION, Xylose isomerase, ...
Authors:Mehrabi, P, Sung, S, von Stetten, D, Prester, A, Hatton, C.E, Kleine-Doepke, S, Berkes, A, Gore, G, Leimkohl, J.P, Schikora, H, Kollewe, M, Rohde, H, Wilmanns, M, Tellkamp, F, Schulz, E.C.
Deposit date:2022-08-30
Release date:2023-05-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Millisecond cryo-trapping by the spitrobot crystal plunger simplifies time-resolved crystallography.
Nat Commun, 14, 2023
8AWY
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BU of 8awy by Molmil
Millisecond cryo-trapping by the spitrobot crystal plunger, Serial measurement Xylose Isomerase with 2,3-butanediol at 50ms
Descriptor: MAGNESIUM ION, Meso-2,3-Butanediol, Xylose isomerase
Authors:Mehrabi, P, Sung, S, von Stetten, D, Prester, A, Hatton, C.E, Kleine-Doepke, S, Berkes, A, Gore, G, Leimkohl, J.P, Schikora, H, Kollewe, M, Rohde, H, Wilmanns, M, Tellkamp, F, Schulz, E.C.
Deposit date:2022-08-30
Release date:2023-05-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Millisecond cryo-trapping by the spitrobot crystal plunger simplifies time-resolved crystallography.
Nat Commun, 14, 2023
8B2O
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BU of 8b2o by Molmil
Millisecond cryo-trapping by the spitrobot crystal plunger, CTX-M-14 E166A, Ampicillin, 5 sec
Descriptor: (2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Beta-lactamase
Authors:Mehrabi, P, Sung, S, von Stetten, D, Prester, A, Hatton, C.E, Kleine-Doepke, S, Berkes, A, Gore, G, Leimkohl, J.P, Schikora, H, Kollewe, M, Rohde, H, Wilmanns, M, Tellkamp, F, Schulz, E.C.
Deposit date:2022-09-14
Release date:2023-05-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Millisecond cryo-trapping by the spitrobot crystal plunger simplifies time-resolved crystallography.
Nat Commun, 14, 2023
8AWB
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BU of 8awb by Molmil
Xylose Isomerase in 90% relative humidity environment
Descriptor: GLYCEROL, MAGNESIUM ION, MANGANESE (II) ION, ...
Authors:Mehrabi, P, Sung, S, von Stetten, D, Prester, A, Hatton, C.E, Kleine-Doepke, S, Berkes, A, Gore, G, Leimkohl, J.P, Schikora, H, Kollewe, M, Rohde, H, Wilmanns, M, Tellkamp, F, Schulz, E.C.
Deposit date:2022-08-29
Release date:2023-05-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Millisecond cryo-trapping by the spitrobot crystal plunger simplifies time-resolved crystallography.
Nat Commun, 14, 2023
8B2V
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BU of 8b2v by Molmil
Millisecond cryo-trapping by the spitrobot crystal plunger, CTX-M-14 E166A Ampicillin, 1 sec
Descriptor: (2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Beta-lactamase
Authors:Mehrabi, P, Sung, S, von Stetten, D, Prester, A, Hatton, C.E, Kleine-Doepke, S, Berkes, A, Gore, G, Leimkohl, J.P, Schikora, H, Kollewe, M, Rohde, H, Wilmanns, M, Tellkamp, F, Schulz, E.C.
Deposit date:2022-09-14
Release date:2023-05-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Millisecond cryo-trapping by the spitrobot crystal plunger simplifies time-resolved crystallography.
Nat Commun, 14, 2023
8B3M
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BU of 8b3m by Molmil
Millisecond cryo-trapping by the spitrobot crystal plunger, CTXM-14 Avibactam complex, SSX, 1 sec
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase
Authors:Mehrabi, P, Sung, S, von Stetten, D, Prester, A, Hatton, C.E, Kleine-Doepke, S, Berkes, A, Gore, G, Leimkohl, J.P, Schikora, H, Kollewe, M, Rohde, H, Wilmanns, M, Tellkamp, F, Schulz, E.C.
Deposit date:2022-09-16
Release date:2023-05-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Millisecond cryo-trapping by the spitrobot crystal plunger simplifies time-resolved crystallography.
Nat Commun, 14, 2023
5OX9
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BU of 5ox9 by Molmil
Structure of the Cyan Fluorescent Protein SCFP3A at pH 4.5
Descriptor: CHLORIDE ION, Green fluorescent protein
Authors:Gotthard, G, von Stetten, D, Clavel, D, Noirclerc-Savoye, M, Royant, A.
Deposit date:2017-09-06
Release date:2017-11-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Chromophore Isomer Stabilization Is Critical to the Efficient Fluorescence of Cyan Fluorescent Proteins.
Biochemistry, 56, 2017
5OXC
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BU of 5oxc by Molmil
Structure of Cerulean Fluorescent Protein at 1.02 Angstrom resolution
Descriptor: Green fluorescent protein
Authors:Gotthard, G, von Stetten, D, Clavel, D, Noirclerc-Savoye, M, Royant, A.
Deposit date:2017-09-06
Release date:2017-11-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.02 Å)
Cite:Chromophore Isomer Stabilization Is Critical to the Efficient Fluorescence of Cyan Fluorescent Proteins.
Biochemistry, 56, 2017
5OX8
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BU of 5ox8 by Molmil
Structure of Enhanced Cyan Fluorescent Protein at pH 5.0
Descriptor: CHLORIDE ION, Green fluorescent protein
Authors:Gotthard, G, von Stetten, D, Clavel, D, Noirclerc-Savoye, M, Royant, A.
Deposit date:2017-09-06
Release date:2017-11-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Chromophore Isomer Stabilization Is Critical to the Efficient Fluorescence of Cyan Fluorescent Proteins.
Biochemistry, 56, 2017
5OXA
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BU of 5oxa by Molmil
Structure of the S205A mutant of the Cyan Fluorescent Protein Cerulean at pH 7.0
Descriptor: Green fluorescent protein
Authors:Gotthard, G, von Stetten, D, Clavel, D, Noirclerc-Savoye, M, Royant, A.
Deposit date:2017-09-06
Release date:2017-11-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Chromophore Isomer Stabilization Is Critical to the Efficient Fluorescence of Cyan Fluorescent Proteins.
Biochemistry, 56, 2017
5OXB
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BU of 5oxb by Molmil
Structure of blue-light irradiated Cerulean
Descriptor: Green fluorescent protein
Authors:Gotthard, G, von Stetten, D, Clavel, D, Noirclerc-Savoye, M, Royant, A.
Deposit date:2017-09-06
Release date:2017-11-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Chromophore Isomer Stabilization Is Critical to the Efficient Fluorescence of Cyan Fluorescent Proteins.
Biochemistry, 56, 2017
7NEV
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BU of 7nev by Molmil
Structure of the hemiacetal complex between the SARS-CoV-2 Main Protease and Leupeptin
Descriptor: 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Guenther, S, Reinke, P.Y.A, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H.M, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashhour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Xavier, P.L, Ullah, N, Andaleeb, H, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Zaitsev-Doyle, J.J, Rogers, C, Gieseler, H, Melo, D, Monteiro, D.C.F, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schluenzen, F, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Sun, X, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A.
Deposit date:2021-02-05
Release date:2021-03-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
8OEI
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BU of 8oei by Molmil
SFX structure of FutA after an accumulated dose of 350 kGy
Descriptor: FE (III) ION, Putative iron ABC transporter, substrate binding protein
Authors:Bolton, R, Tews, I.
Deposit date:2023-03-10
Release date:2023-08-30
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:A redox switch allows binding of Fe(II) and Fe(III) ions in the cyanobacterial iron-binding protein FutA from Prochlorococcus.
Proc.Natl.Acad.Sci.USA, 121, 2024
8OEM
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BU of 8oem by Molmil
Crystal structure of FutA bound to Fe(II)
Descriptor: FE (II) ION, Putative iron ABC transporter, substrate binding protein
Authors:Bolton, R, Tews, I.
Deposit date:2023-03-10
Release date:2023-08-30
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A redox switch allows binding of Fe(II) and Fe(III) ions in the cyanobacterial iron-binding protein FutA from Prochlorococcus.
Proc.Natl.Acad.Sci.USA, 121, 2024
8OGG
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BU of 8ogg by Molmil
Crystal structure of FutA after an accumulated dose of 5 kGy
Descriptor: FE (III) ION, Putative iron ABC transporter, substrate binding protein
Authors:Bolton, R, Tews, I.
Deposit date:2023-03-20
Release date:2023-08-30
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:A redox switch allows binding of Fe(II) and Fe(III) ions in the cyanobacterial iron-binding protein FutA from Prochlorococcus.
Proc.Natl.Acad.Sci.USA, 121, 2024
6QQK
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BU of 6qqk by Molmil
Room temperature structure of blue light-irradiated AtPhot2LOV2 recorded after an accumulated dose of 34 kGy
Descriptor: FLAVIN MONONUCLEOTIDE, Phototropin-2
Authors:Aumonier, S, Gotthard, G, Royant, A.
Deposit date:2019-02-18
Release date:2019-06-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Specific radiation damage is a lesser concern at room temperature.
Iucrj, 6, 2019
6QQI
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BU of 6qqi by Molmil
Cryogenic temperature structure of blue light-irradiated AtPhot2LOV2 recorded after an accumulated dose of 24 kGy
Descriptor: FLAVIN MONONUCLEOTIDE, Phototropin-2
Authors:Aumonier, S, Gotthard, G, Royant, A.
Deposit date:2019-02-18
Release date:2019-06-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Specific radiation damage is a lesser concern at room temperature.
Iucrj, 6, 2019
6QQJ
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BU of 6qqj by Molmil
Room temperature structure of the ground state of AtPhot2LOV2 recorded after an accumulated dose of 354 kGy
Descriptor: FLAVIN MONONUCLEOTIDE, Phototropin-2
Authors:Aumonier, S, Gotthard, G, Royant, A.
Deposit date:2019-02-18
Release date:2019-06-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Specific radiation damage is a lesser concern at room temperature.
Iucrj, 6, 2019
6QSA
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BU of 6qsa by Molmil
Cryogenic temperature structure of blue light-irradiated AtPhot2LOV2 recorded after an accumulated dose of 48 kGy
Descriptor: FLAVIN MONONUCLEOTIDE, Phototropin-2
Authors:Aumonier, S, Gotthard, G, Royant, A.
Deposit date:2019-02-20
Release date:2019-06-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Specific radiation damage is a lesser concern at room temperature.
Iucrj, 6, 2019
8C4Y
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BU of 8c4y by Molmil
SFX structure of FutA bound to Fe(III)
Descriptor: FE (III) ION, Putative iron ABC transporter, substrate binding protein
Authors:Bolton, R, Tews, I.
Deposit date:2023-01-05
Release date:2023-08-30
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A redox switch allows binding of Fe(II) and Fe(III) ions in the cyanobacterial iron-binding protein FutA from Prochlorococcus.
Proc.Natl.Acad.Sci.USA, 121, 2024
6QQ8
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BU of 6qq8 by Molmil
Cryogenic temperature structure of the fluorescent protein Cerulean recorded after an accumulated dose of 290 kGy
Descriptor: Green fluorescent protein
Authors:Gotthard, G, Aumonier, S, Royant, A.
Deposit date:2019-02-18
Release date:2019-06-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Specific radiation damage is a lesser concern at room temperature.
Iucrj, 6, 2019
6QQD
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BU of 6qqd by Molmil
Cryogenic temperature structure of Hen Egg White Lysozyme recorded after an accumulated dose of 10 MGy
Descriptor: CHLORIDE ION, Lysozyme C
Authors:Gotthard, G, Aumonier, S, Royant, A.
Deposit date:2019-02-18
Release date:2019-06-19
Last modified:2019-07-31
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Specific radiation damage is a lesser concern at room temperature.
Iucrj, 6, 2019
6YNQ
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BU of 6ynq by Molmil
Structure of SARS-CoV-2 Main Protease bound to 2-Methyl-1-tetralone.
Descriptor: (2~{S})-2-methyl-3,4-dihydro-2~{H}-naphthalen-1-one, 3C-like proteinase, CHLORIDE ION, ...
Authors:Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A.
Deposit date:2020-04-14
Release date:2020-04-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
6YVF
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BU of 6yvf by Molmil
Structure of SARS-CoV-2 Main Protease bound to AZD6482.
Descriptor: 2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzoic acid, 3C-like proteinase, CALCIUM ION, ...
Authors:Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A.
Deposit date:2020-04-28
Release date:2020-05-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
8Q4S
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BU of 8q4s by Molmil
Crystal structure of phosphoserine phosphatase (SerB) from Brucella melitensis in complex with AP4 and magnesium.
Descriptor: (2S)-2-amino-4-phosphonobutanoic acid, GLYCEROL, MAGNESIUM ION, ...
Authors:Scaillet, T, Wouters, J.
Deposit date:2023-08-07
Release date:2024-08-21
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Crystal structure of phosphoserine phosphatase (SerB) from Brucella melitensis in complex with AP4 and magnesium.
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PDB entries from 2024-08-21

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