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6NUG
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BU of 6nug by Molmil
hGRNA4-28_3s
Descriptor: Granulin-4
Authors:Dastpeyman, M, Bansal, P, Wilson, D, Loukas, A, Smout, M, Daly, N.
Deposit date:2019-02-01
Release date:2020-02-05
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:hGRN4-28_3s
to be published
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
1Z3L
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BU of 1z3l by Molmil
X-Ray Crystal Structure of a Mutant Ribonuclease S (F8Anb)
Descriptor: Ribonuclease pancreatic, S-Peptide, S-Protein, ...
Authors:Das, M, Vasudeva Rao, B, Ghosh, S, Varadarajan, R.
Deposit date:2005-03-14
Release date:2005-03-29
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Attempts to delineate the relative contributions of changes in hydrophobicity and packing to changes in stability of ribonuclease S mutants.
Biochemistry, 44, 2005
1Z3M
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BU of 1z3m by Molmil
Crystal structure of mutant Ribonuclease S (F8Nva)
Descriptor: Ribonuclease pancreatic, S-Peptide, S-protein, ...
Authors:Das, M, Vasudeva Rao, B, Ghosh, S, Varadarajan, R.
Deposit date:2005-03-14
Release date:2005-03-29
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Attempts to delineate the relative contributions of changes in hydrophobicity and packing to changes in stability of ribonuclease S mutants.
Biochemistry, 44, 2005
1Z3P
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BU of 1z3p by Molmil
X-Ray crystal structure of a mutant Ribonuclease S (M13Nva)
Descriptor: Ribonuclease pancreatic, S-Peptide, S-Protein, ...
Authors:Das, M, Rao, B.V, Ghosh, S, Varadarajan, R.
Deposit date:2005-03-14
Release date:2005-03-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Attempts to delineate the relative contributions of changes in hydrophobicity and packing to changes in stability of ribonuclease S mutants.
Biochemistry, 44, 2005
6UND
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BU of 6und by Molmil
Pseudomonas fluorescens isocyanide hydratase thioimidate intermediate at 298 K XFEL data
Descriptor: Isonitrile hydratase InhA, N-(4-nitrophenyl)methanimine
Authors:Dasgupta, M, van den Bedem, H, Wilson, M.A.
Deposit date:2019-10-11
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
6UNF
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BU of 6unf by Molmil
Pseudomonas fluorescens isocyanide hydratase post-catalysis at 298 K XFEL data
Descriptor: Isonitrile hydratase InhA
Authors:Dasgupta, M, van den Bedem, H, Wilson, M.A.
Deposit date:2019-10-11
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
6E1L
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BU of 6e1l by Molmil
GRN3Ala
Descriptor: Granulin
Authors:Dastpeyman, M, Bansal, P, Wilson, D, Sotillo, J, Brindley, P, Loukas, A, Smout, M, Daly, N.
Deposit date:2018-07-10
Release date:2019-02-06
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structural Variants of a Liver Fluke Derived Granulin Peptide Potently Stimulate Wound Healing.
J. Med. Chem., 61, 2018
4YK7
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BU of 4yk7 by Molmil
Crystal structure of S-hydroxynitrile lyase from Manihot esculenta (His103Leu)
Descriptor: (S)-hydroxynitrile lyase
Authors:Dadashipour, M, Nakano, S, Asano, Y.
Deposit date:2015-03-04
Release date:2016-04-13
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of S-hydroxynitrile lyase from Manihot esculenta (His103Leu)
To Be Published
6NI8
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BU of 6ni8 by Molmil
Pseudomonas fluorescens isocyanide hydratase rotating anode 298K
Descriptor: Isonitrile hydratase InhA
Authors:Wilson, M.A, Dasgupta, M, van den Bedem, H.
Deposit date:2018-12-26
Release date:2020-01-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Cysteine modification can gate non-equilibrium conformational dynamics during enzyme catalysis
Biorxiv, 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
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
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
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
7RE9
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BU of 7re9 by Molmil
TCR mimic antibody (Fab fragment)
Descriptor: DI(HYDROXYETHYL)ETHER, Fab heavy chain, Fab light chain
Authors:Dasgupta, M, Baker, B.M.
Deposit date:2021-07-12
Release date:2022-07-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Validation and promise of a TCR mimic antibody for cancer immunotherapy of hepatocellular carcinoma.
Sci Rep, 12, 2022
7RE8
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BU of 7re8 by Molmil
Class I MHC (HLA-A*02) presenting alpha fetoprotein peptide (AFP)
Descriptor: Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, MHC class I antigen, ...
Authors:Dasgupta, M, Baker, B.M.
Deposit date:2021-07-12
Release date:2022-07-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Validation and promise of a TCR mimic antibody for cancer immunotherapy of hepatocellular carcinoma.
Sci Rep, 12, 2022
7RE7
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BU of 7re7 by Molmil
TCR mimic antibody (Fab fragment) in complex with AFP/HLA-A*02
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-2-microglobulin, FORMIC ACID, ...
Authors:Dasgupta, M, Baker, B.M.
Deposit date:2021-07-12
Release date:2022-07-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.547 Å)
Cite:Validation and promise of a TCR mimic antibody for cancer immunotherapy of hepatocellular carcinoma.
Sci Rep, 12, 2022
1LFG
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BU of 1lfg by Molmil
Structure of diferric human lactoferrin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, FE (III) ION, ...
Authors:Baker, E.N, Anderson, B.F, Haridas, M.
Deposit date:1992-02-05
Release date:1994-01-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of human diferric lactoferrin refined at 2.2 A resolution.
Acta Crystallogr.,Sect.D, 51, 1995
7SUC
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BU of 7suc by Molmil
XFEL Serial Crystallography Reveals the Room Temperature Structure of Methyl-Coenzyme M Reductase
Descriptor: 1,2-ETHANEDIOL, 1-THIOETHANESULFONIC ACID, ACETATE ION, ...
Authors:Ohmer, C.J, Dasgupta, M.
Deposit date:2021-11-16
Release date:2022-03-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:XFEL serial crystallography reveals the room temperature structure of methyl-coenzyme M reductase.
J.Inorg.Biochem., 230, 2022
4LW9
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BU of 4lw9 by Molmil
Crystal structure of Vibrio cholera major pseudopilin EpsG
Descriptor: CALCIUM ION, CHLORIDE ION, PLATINUM (II) ION, ...
Authors:Vago, F.S, Raghunathan, K, Jens, J.C, Wedemeyer, W.J, Bagdasarian, M, Brunzelle, J.S, Arvidson, D.N.
Deposit date:2013-07-26
Release date:2014-07-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of Vibrio cholera major pseudopilin EpsG
To be Published
8F4H
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BU of 8f4h by Molmil
RT XFEL structure of Photosystem II 1200 microseconds after the third illumination at 2.10 Angstrom resolution
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Bhowmick, A, Hussein, R, Bogacz, I, Simon, P.S, Ibrahim, M, Chatterjee, R, Doyle, M.D, Cheah, M.H, Fransson, T, Chernev, P, Kim, I.-S, Makita, H, Dasgupta, M, Kaminsky, C.J, Zhang, M, Gatcke, J, Haupt, S, Nangca, I.I, Keable, S.M, Aydin, O, Tono, K, Owada, S, Gee, L.B, Fuller, F.D, Batyuk, A, Alonso-Mori, R, Holton, J.M, Paley, D.W, Moriarty, N.W, Mamedov, F, Adams, P.D, Brewster, A.S, Dobbek, H, Sauter, N.K, Bergmann, U, Zouni, A, Messinger, J, Kern, J, Yano, J, Yachandra, V.K.
Deposit date:2022-11-10
Release date:2023-03-22
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural evidence for intermediates during O 2 formation in photosystem II.
Nature, 617, 2023
8F4F
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BU of 8f4f by Molmil
RT XFEL structure of Photosystem II 500 microseconds after the third illumination at 2.03 Angstrom resolution
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Bhowmick, A, Hussein, R, Bogacz, I, Simon, P.S, Ibrahim, M, Chatterjee, R, Doyle, M.D, Cheah, M.H, Fransson, T, Chernev, P, Kim, I.-S, Makita, H, Dasgupta, M, Kaminsky, C.J, Zhang, M, Gatcke, J, Haupt, S, Nangca, I.I, Keable, S.M, Aydin, O, Tono, K, Owada, S, Gee, L.B, Fuller, F.D, Batyuk, A, Alonso-Mori, R, Holton, J.M, Paley, D.W, Moriarty, N.W, Mamedov, F, Adams, P.D, Brewster, A.S, Dobbek, H, Sauter, N.K, Bergmann, U, Zouni, A, Messinger, J, Kern, J, Yano, J, Yachandra, V.K.
Deposit date:2022-11-10
Release date:2023-03-22
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Structural evidence for intermediates during O 2 formation in photosystem II.
Nature, 617, 2023
8F4C
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BU of 8f4c by Molmil
RT XFEL structure of the two-flash state of Photosystem II (2F, S3-rich) at 2.00 Angstrom resolution
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Bhowmick, A, Hussein, R, Bogacz, I, Simon, P.S, Ibrahim, M, Chatterjee, R, Doyle, M.D, Cheah, M.H, Fransson, T, Chernev, P, Kim, I.-S, Makita, H, Dasgupta, M, Kaminsky, C.J, Zhang, M, Gatcke, J, Haupt, S, Nangca, I.I, Keable, S.M, Aydin, O, Tono, K, Owada, S, Gee, L.B, Fuller, F.D, Batyuk, A, Alonso-Mori, R, Holton, J.M, Paley, D.W, Moriarty, N.W, Mamedov, F, Adams, P.D, Brewster, A.S, Dobbek, H, Sauter, N.K, Bergmann, U, Zouni, A, Messinger, J, Kern, J, Yano, J, Yachandra, V.K.
Deposit date:2022-11-10
Release date:2023-03-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural evidence for intermediates during O 2 formation in photosystem II.
Nature, 617, 2023

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