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7VJI
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BU of 7vji by Molmil
class II photolyase MmCPDII semiquinone to fully reduced TR-SFX studies (10 us time-point)
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Maestre-Reyna, M, Yang, C.-H, Huang, W.-C, Nango, E, Ngura Putu, E.P.G, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Hosokawa, Y, Saft, M, Emmerich, H.-J, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Royant, A, Gad, W, Pang, A.H, Chang, C.-W, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D.
Deposit date:2021-09-28
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme.
Nat.Chem., 14, 2022
7VJ5
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BU of 7vj5 by Molmil
class II photolyase MmCPDII oxidized to semiquinone TR-SFX studies (5 ms time-point)
Descriptor: DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION
Authors:Maestre-Reyna, M, Yang, C.-H, Huang, W.-C, Nango, E, Ngura Putu, E.P.G, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Hosokawa, Y, Saft, M, Emmerich, H.-J, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Royant, A, Gad, W, Pang, A.H, Chang, C.-W, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D.
Deposit date:2021-09-28
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme.
Nat.Chem., 14, 2022
7VJH
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BU of 7vjh by Molmil
class II photolyase MmCPDII semiquinone to fully reduced TR-SFX studies (5 us time-point)
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Maestre-Reyna, M, Yang, C.-H, Huang, W.-C, Nango, E, Ngura Putu, E.P.G, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Hosokawa, Y, Saft, M, Emmerich, H.-J, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Royant, A, Gad, W, Pang, A.H, Chang, C.-W, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D.
Deposit date:2021-09-28
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme.
Nat.Chem., 14, 2022
7VJ8
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BU of 7vj8 by Molmil
SFX structure of archaeal class II CPD photolyase from Methanosarcina mazei in the oxidized state
Descriptor: DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION
Authors:Maestre-Reyna, M, Yang, C.-H, Huang, W.C, Nango, E, Gusti-Ngurah-Putu, E.-P, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Sugahara, M, Owada, S, Joti, Y, Tanaka, R, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D.
Deposit date:2021-09-28
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme.
Nat.Chem., 14, 2022
7VJ0
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BU of 7vj0 by Molmil
class II photolyase MmCPDII oxidized to semiquinone TR-SFX studies (1 us time-point)
Descriptor: DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION
Authors:Maestre-Reyna, M, Yang, C.-H, Huang, W.-C, Nango, E, Ngura Putu, E.P.G, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Hosokawa, Y, Saft, M, Emmerich, H.-J, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Royant, A, Gad, W, Pang, A.H, Chang, C.-W, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D.
Deposit date:2021-09-28
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme.
Nat.Chem., 14, 2022
7VJA
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BU of 7vja by Molmil
class II photolyase MmCPDII semiquinone to fully reduced TR-SFX studies (10 ns time-point)
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Maestre-Reyna, M, Yang, C.-H, Huang, W.-C, Nango, E, Ngura Putu, E.P.G, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Hosokawa, Y, Saft, M, Emmerich, H.-J, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Royant, A, Gad, W, Pang, A.H, Chang, C.-W, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D.
Deposit date:2021-09-28
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme.
Nat.Chem., 14, 2022
7VJ4
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BU of 7vj4 by Molmil
class II photolyase MmCPDII oxidized to semiquinone TR-SFX studies (1 ms time-point)
Descriptor: DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION
Authors:Maestre-Reyna, M, Yang, C.-H, Huang, W.-C, Nango, E, Ngura Putu, E.P.G, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Hosokawa, Y, Saft, M, Emmerich, H.-J, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Royant, A, Gad, W, Pang, A.H, Chang, C.-W, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D.
Deposit date:2021-09-28
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme.
Nat.Chem., 14, 2022
7VJE
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BU of 7vje by Molmil
class II photolyase MmCPDII semiquinone to fully reduced TR-SFX studies (300 ns time-point)
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Maestre-Reyna, M, Yang, C.-H, Huang, W.-C, Nango, E, Ngura Putu, E.P.G, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Hosokawa, Y, Saft, M, Emmerich, H.-J, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Royant, A, Gad, W, Pang, A.H, Chang, C.-W, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D.
Deposit date:2021-09-28
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme.
Nat.Chem., 14, 2022
7VIX
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BU of 7vix by Molmil
class II photolyase MmCPDII oxidized to semiquinone TR-SFX studies (10 ns time-point)
Descriptor: DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION
Authors:Maestre-Reyna, M, Yang, C.-H, Huang, W.-C, Nango, E, Ngura Putu, E.P.G, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Hosokawa, Y, Saft, M, Emmerich, H.-J, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Royant, A, Gad, W, Pang, A.H, Chang, C.-W, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D.
Deposit date:2021-09-28
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme.
Nat.Chem., 14, 2022
7VJ7
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BU of 7vj7 by Molmil
SFX structure of archaeal class II CPD photolyase from Methanosarcina mazei in the fully reduced state
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Maestre-Reyna, M, Yang, C.-H, Huang, W.C, Nango, E, Gusti-Ngurah-Putu, E.-P, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Sugahara, M, Owada, S, Joti, Y, Tanaka, R, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D.
Deposit date:2021-09-28
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme.
Nat.Chem., 14, 2022
7VJJ
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BU of 7vjj by Molmil
class II photolyase MmCPDII semiquinone to fully reduced TR-SFX studies (30 us time-point)
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Maestre-Reyna, M, Yang, C.-H, Huang, W.-C, Nango, E, Ngura Putu, E.P.G, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Hosokawa, Y, Saft, M, Emmerich, H.-J, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Royant, A, Gad, W, Pang, A.H, Chang, C.-W, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D.
Deposit date:2021-09-28
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme.
Nat.Chem., 14, 2022
7ADF
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BU of 7adf by Molmil
SFX structure of dehaloperoxidase B in the ferric form
Descriptor: Dehaloperoxidase B, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Moreno Chicano, T, Ebrahim, A, Axford, D.A, Sherrell, D.A, Sugimoto, H, Tono, K, Owada, S, Worrall, J.W, Strange, R.W, Owen, R.L, Hough, M.A.
Deposit date:2020-09-14
Release date:2021-10-06
Last modified:2025-01-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:SFX structure of dehaloperoxidase B in the ferric form
to be published
7ADX
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BU of 7adx by Molmil
SFX structure of dehaloperoxidase B in the oxyferrous form
Descriptor: Dehaloperoxidase B, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Moreno Chicano, T, Ebrahim, A, Worrall, J.W, Axford, D.A, Owada, S, Tosha, T, Sugimoto, H, Strange, R.W, Owen, R.L, Hough, M.A.
Deposit date:2020-09-16
Release date:2021-10-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:SFX structure of dehaloperoxidase B from Amphitrite ornata in the oxyferrous form
To Be Published
6ZW8
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BU of 6zw8 by Molmil
Isopenicillin N synthase in complex with Cd and ACV.
Descriptor: CADMIUM ION, GLYCEROL, Isopenicillin N synthase, ...
Authors:Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J.
Deposit date:2020-07-27
Release date:2021-06-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis.
Sci Adv, 7, 2021
9Q8F
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BU of 9q8f by Molmil
Structure of the (6-4) photolyase of Caulobacter crescentus with K48A mutation in its dark adapted and oxidized state determined by synchrotron
Descriptor: 1-deoxy-1-(6,7-dimethyl-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl)-D-ribitol, CHLORIDE ION, Cryptochrome/photolyase family protein, ...
Authors:Po Hsun, W, Maestre-Reyna, M, Essen, L.-O.
Deposit date:2025-02-24
Release date:2025-05-07
Last modified:2025-05-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Redox-State-Dependent Structural Changes within a Prokaryotic 6-4 Photolyase.
J.Am.Chem.Soc., 147, 2025
5Y5F
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BU of 5y5f by Molmil
Structure of cytochrome P450nor in NO-bound state: damaged by low-dose (0.72 MGy) X-ray
Descriptor: GLYCEROL, NADP nitrous oxide-forming nitric oxide reductase, NITRIC OXIDE, ...
Authors:Tosha, T, Nomura, T, Nishida, T, Ueno, G, Murakami, H, Yamashita, K, Hirata, K, Yamamoto, M, Ago, H, Sugimoto, H, Shiro, Y, Kubo, M.
Deposit date:2017-08-09
Release date:2017-12-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Capturing an initial intermediate during the P450nor enzymatic reaction using time-resolved XFEL crystallography and caged-substrate.
Nat Commun, 8, 2017
6YRD
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BU of 6yrd by Molmil
SFX structure of dye-type peroxidase DtpB in the ferryl state
Descriptor: MAGNESIUM ION, OXYGEN ATOM, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Lucic, M, Axford, D.A, Owen, R.L, Worrall, J.A.R, Hough, M.A.
Deposit date:2020-04-20
Release date:2021-01-13
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Serial Femtosecond Zero Dose Crystallography Captures a Water-Free Distal Heme Site in a Dye-Decolorising Peroxidase to Reveal a Catalytic Role for an Arginine in Fe IV =O Formation.
Angew.Chem.Int.Ed.Engl., 59, 2020
6YRJ
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BU of 6yrj by Molmil
SFX structure of dye-type peroxidase DtpB in the ferric state
Descriptor: MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE, Putative iron-dependent peroxidase
Authors:Lucic, M, Axford, D.A, Owen, R.L, Worrall, J.A.R, Hough, M.A.
Deposit date:2020-04-20
Release date:2021-01-13
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Serial Femtosecond Zero Dose Crystallography Captures a Water-Free Distal Heme Site in a Dye-Decolorising Peroxidase to Reveal a Catalytic Role for an Arginine in Fe IV =O Formation.
Angew.Chem.Int.Ed.Engl., 59, 2020
6YRC
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BU of 6yrc by Molmil
Spectroscopically-validated structure of DtpB from Streptomyces lividans in the ferric state
Descriptor: 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, GLYCEROL, MAGNESIUM ION, ...
Authors:Lucic, M, Dworkowski, F.S.N, Worrall, J.A.R, Hough, M.A.
Deposit date:2020-04-20
Release date:2021-01-13
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Serial Femtosecond Zero Dose Crystallography Captures a Water-Free Distal Heme Site in a Dye-Decolorising Peroxidase to Reveal a Catalytic Role for an Arginine in Fe IV =O Formation.
Angew.Chem.Int.Ed.Engl., 59, 2020
6YR4
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BU of 6yr4 by Molmil
Dye-type peroxidase DtpB in the ferryl state: Spectroscopically Validated composite structure
Descriptor: MAGNESIUM ION, OXYGEN ATOM, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Lucic, M, Dworkowski, F.S.N, Worrall, J.A.R, Hough, M.A.
Deposit date:2020-04-19
Release date:2021-01-13
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Serial Femtosecond Zero Dose Crystallography Captures a Water-Free Distal Heme Site in a Dye-Decolorising Peroxidase to Reveal a Catalytic Role for an Arginine in Fe IV =O Formation.
Angew.Chem.Int.Ed.Engl., 59, 2020
8CW0
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BU of 8cw0 by Molmil
20us Temperature-Jump (Light) XFEL structure of Lysozyme
Descriptor: ACETATE ION, CHLORIDE ION, Lysozyme C, ...
Authors:Wolff, A.M, Thompson, M.C, Fraser, J.S, Nango, E.
Deposit date:2022-05-18
Release date:2022-06-22
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Mapping protein dynamics at high spatial resolution with temperature-jump X-ray crystallography.
Nat.Chem., 15, 2023
8CWH
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BU of 8cwh by Molmil
200us Temperature-Jump (Dark2) XFEL structure of Lysozyme Bound to N,N'-diacetylchitobiose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, CHLORIDE ION, Lysozyme C, ...
Authors:Wolff, A.M, Thompson, M.C, Fraser, J.S, Nango, E.
Deposit date:2022-05-19
Release date:2022-06-22
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Mapping protein dynamics at high spatial resolution with temperature-jump X-ray crystallography.
Nat.Chem., 15, 2023
8CWE
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BU of 8cwe by Molmil
20ns Temperature-Jump (Dark2) XFEL structure of Lysozyme Bound to N,N'-diacetylchitobiose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, CHLORIDE ION, Lysozyme C, ...
Authors:Wolff, A.M, Thompson, M.C, Fraser, J.S, Nango, E.
Deposit date:2022-05-19
Release date:2022-06-22
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Mapping protein dynamics at high spatial resolution with temperature-jump X-ray crystallography.
Nat.Chem., 15, 2023
8CVV
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BU of 8cvv by Molmil
20ns Temperature-Jump (Dark1) XFEL structure of Lysozyme
Descriptor: ACETATE ION, CHLORIDE ION, Lysozyme C, ...
Authors:Wolff, A.M, Thompson, M.C, Fraser, J.S, Nango, E.
Deposit date:2022-05-18
Release date:2022-06-22
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Mapping protein dynamics at high spatial resolution with temperature-jump X-ray crystallography.
Nat.Chem., 15, 2023
8CVU
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BU of 8cvu by Molmil
20ns Temperature-Jump (Light) XFEL structure of Lysozyme
Descriptor: ACETATE ION, CHLORIDE ION, Lysozyme C, ...
Authors:Wolff, A.M, Thompson, M.C, Fraser, J.S, Nango, E.
Deposit date:2022-05-18
Release date:2022-06-22
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Mapping protein dynamics at high spatial resolution with temperature-jump X-ray crystallography.
Nat.Chem., 15, 2023

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