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8A5B
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BU of 8a5b by Molmil
Crystal structure of human cathepsin L in complex with covalently bound MG-101
Descriptor: Calpain Inhibitor I, Cathepsin L, DI(HYDROXYETHYL)ETHER, ...
Authors:Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A.
Deposit date:2022-06-14
Release date:2023-07-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural elucidation of antiviral cathepsin L inhibitors
To be published
8A4W
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BU of 8a4w by Molmil
Crystal structure of human cathepsin L with covalently bound Cathepsin L inhibitor IV
Descriptor: 1,2-ETHANEDIOL, Cathepsin L, DI(HYDROXYETHYL)ETHER, ...
Authors:Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A.
Deposit date:2022-06-13
Release date:2023-07-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural elucidation of antiviral cathepsin L inhibitors
To Be Published
7ZS7
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BU of 7zs7 by Molmil
Crystal structure of human cathepsin L with covalently bound calpain inhibitor VI
Descriptor: (2S)-2-[(4-fluorophenyl)sulfonylamino]-3-methyl-N-[(2S)-4-methyl-1-oxidanyl-pentan-2-yl]butanamide, ACETATE ION, Cathepsin L, ...
Authors:Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A.
Deposit date:2022-05-06
Release date:2023-05-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural elucidation of antiviral cathepsin L inhibitors
To be published
7ZXA
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BU of 7zxa by Molmil
Crystal structure of human cathepsin L with covalently bound aloxistatin (E-64D)
Descriptor: 1,2-ETHANEDIOL, Cathepsin L, DI(HYDROXYETHYL)ETHER, ...
Authors:Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A.
Deposit date:2022-05-20
Release date:2023-05-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural elucidation of antiviral cathepsin L inhibitors
To Be Published
8AHV
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BU of 8ahv by Molmil
Crystal structure of human cathepsin L in complex with calpain inhibitor XII
Descriptor: (phenylmethyl) ~{N}-[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S},3~{S})-2-oxidanyl-1-oxidanylidene-1-(pyridin-2-ylmethylamino)hexan-3-yl]amino]pentan-2-yl]carbamate, 1,2-ETHANEDIOL, Cathepsin L, ...
Authors:Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A.
Deposit date:2022-07-22
Release date:2023-08-02
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of human cathepsin L in complex with calpain inhibitor XII
To be published
7ZVF
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BU of 7zvf by Molmil
Crystal structure of human cathepsin L in complex with covalently bound CLIK148
Descriptor: (2S)-N-[(2S)-1-(dimethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-2-oxidanyl-N'-(2-pyridin-2-ylethyl)butanediamide, 1,2-ETHANEDIOL, Cathepsin L, ...
Authors:Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Tsuge, H, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A.
Deposit date:2022-05-15
Release date:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural elucidation of antiviral cathepsin L inhibitors
To be published
7PXZ
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BU of 7pxz by Molmil
Reduced form of SARS-CoV-2 Main Protease determined by XFEL radiation
Descriptor: 3C-like proteinase, CHLORIDE ION
Authors:Schubert, R, Reinke, P, Galchenkova, M, Oberthuer, D, Murillo, G.E.P, Kim, C, Bean, R, Turk, D, Hinrichs, W, Middendorf, P, Round, A, Schmidt, C, Mills, G, Kirkwood, H, Han, H, Koliyadu, J, Bielecki, J, Gelisio, L, Sikorski, M, Kloos, M, Vakilii, M, Yefanov, O.N, Vagovic, P, de-Wijn, R, Letrun, R, Guenther, S, White, T.A, Sato, T, Srinivasan, V, Kim, Y, Chretien, A, Han, S, Brognaro, H, Maracke, J, Knoska, J, Seychell, B.C, Brings, L, Norton-Baker, B, Geng, T, Dore, A.S, Uetrecht, C, Redecke, L, Beck, T, Lorenzen, K, Betzel, C, Mancuso, A.P, Bajt, S, Chapman, H.N, Meents, A, Lane, T.J.
Deposit date:2021-10-08
Release date:2023-01-18
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Reduced form of SARS-CoV-2 Main Protease determined by XFEL radiation
To Be Published
7PZQ
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BU of 7pzq by Molmil
Oxidized form of SARS-CoV-2 Main Protease determined by XFEL radiation
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE
Authors:Schubert, R, Reinke, P, Galchenkova, M, Oberthuer, D, Murillo, G.E.P, Kim, C, Bean, R, Turk, D, Hinrichs, W, Middendorf, P, Round, A, Schmidt, C, Mills, G, Kirkwood, H, Han, H, Koliyadu, J, Bielecki, J, Gelisio, L, Sikorski, M, Kloos, M, Vakilii, M, Yefanov, O.N, Vagovic, P, de-Wijn, R, Letrun, R, Guenther, S, White, T.A, Sato, T, Srinivasan, V, Kim, Y, Chretien, A, Han, S, Brognaro, H, Maracke, J, Knoska, J, Seychell, B.C, Brings, L, Norton-Baker, B, Geng, T, Dore, A.S, Uetrecht, C, Redecke, L, Beck, T, Lorenzen, K, Betzel, C, Mancuso, A.P, Bajt, S, Chapman, H.N, Meents, A, Lane, T.J.
Deposit date:2021-10-13
Release date:2023-01-25
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Oxidized form of SARS-CoV-2 Main Protease determined by XFEL radiation
To Be Published
7Q7N
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BU of 7q7n by Molmil
Room temperature structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H mutant at 120 MPa helium gas pressure in a sapphire capillary
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, ...
Authors:Lieske, J, Guenther, S, Saouane, S, Selikhanov, G.K, Gabdulkhakov, A.G, Meents, A.
Deposit date:2021-11-09
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Fixed-target high-pressure macromolecular crystallography
To Be Published
7Q75
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BU of 7q75 by Molmil
Room temperature structure of RNase A at atmospheric pressure
Descriptor: CHLORIDE ION, Ribonuclease pancreatic, SODIUM ION, ...
Authors:Lieske, J, Guenther, S, Saouane, S, Meents, A.
Deposit date:2021-11-09
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Fixed-target high-pressure macromolecular crystallography
To Be Published
7Q78
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BU of 7q78 by Molmil
Room temperature structure of RNase A at 72 MPa helium gas pressure in a sapphire capillary
Descriptor: CHLORIDE ION, Ribonuclease pancreatic, SODIUM ION, ...
Authors:Lieske, J, Guenther, S, Saouane, S, Meents, A.
Deposit date:2021-11-09
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Fixed-target high-pressure macromolecular crystallography
To Be Published
7Q7C
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BU of 7q7c by Molmil
Room temperature structure of the human Serine/Threonine Kinase 17B (STK17B/DRAK2) in complex with ADP at atmospheric pressure
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Serine/threonine-protein kinase 17B
Authors:Lieske, J, Guenther, S, Saouane, S, Meents, A.
Deposit date:2021-11-09
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Room temperature structure of the human Serine/Threonine Kinase 17B (STK17B/DRAK2) in complex with ADP at atmospheric pressure
To Be Published
7Q79
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BU of 7q79 by Molmil
Room temperature structure of RNase A at 100 MPa helium gas pressure in a sapphire capillary
Descriptor: CHLORIDE ION, Ribonuclease pancreatic, SODIUM ION, ...
Authors:Lieske, J, Guenther, S, Saouane, S, Meents, A.
Deposit date:2021-11-09
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Fixed-target high-pressure macromolecular crystallography
To Be Published
7Q7G
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BU of 7q7g by Molmil
Room temperature structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H mutant at 30 MPa helium gas pressure in a sapphire capillary
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, ...
Authors:Lieske, J, Guenther, S, Saouane, S, Selikhanov, G.K, Gabdulkhakov, A.G, Meents, A.
Deposit date:2021-11-09
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Fixed-target high-pressure macromolecular crystallography
To Be Published
7Q7D
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BU of 7q7d by Molmil
Room temperature structure of the human Serine/Threonine Kinase 17B (STK17B/DRAK2) in complex with ATP/ADP at 111 MPa helium gas pressure in a sapphire capillary
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Serine/threonine-protein kinase 17B
Authors:Lieske, J, Guenther, S, Saouane, S, Meents, A.
Deposit date:2021-11-09
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Fixed-target high-pressure macromolecular crystallography
To Be Published
7Q7J
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BU of 7q7j by Molmil
Room temperature structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H mutant at 75 MPa helium gas pressure in a sapphire capillary
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, ...
Authors:Lieske, J, Guenther, S, Saouane, S, Selikhanov, G.K, Gabdulkhakov, A.G, Meents, A.
Deposit date:2021-11-09
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Fixed-target high-pressure macromolecular crystallography
To Be Published
7Q76
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BU of 7q76 by Molmil
Room temperature structure of RNase A at 22 MPa helium gas pressure in a sapphire capillary
Descriptor: CHLORIDE ION, Ribonuclease pancreatic, SODIUM ION, ...
Authors:Lieske, J, Guenther, S, Saouane, S, Meents, A.
Deposit date:2021-11-09
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Fixed-target high-pressure macromolecular crystallography
To Be Published
7Q7A
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BU of 7q7a by Molmil
Room temperature structure of RNase A at 120 MPa helium gas pressure in a sapphire capillary
Descriptor: CHLORIDE ION, Ribonuclease pancreatic, SODIUM ION, ...
Authors:Lieske, J, Guenther, S, Saouane, S, Meents, A.
Deposit date:2021-11-09
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Fixed-target high-pressure macromolecular crystallography
To Be Published
7Q7E
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BU of 7q7e by Molmil
Room temperature structure of the human Serine/Threonine Kinase 17B (STK17B/DRAK2) in complex with ATP/ADP at atmospheric pressure in a sapphire capillary after high helium gas pressure release
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Serine/threonine-protein kinase 17B
Authors:Lieske, J, Guenther, S, Saouane, S, Meents, A.
Deposit date:2021-11-09
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Fixed-target high-pressure macromolecular crystallography
To Be Published
7Q7H
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BU of 7q7h by Molmil
Room temperature structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H mutant at 51 MPa helium gas pressure in a sapphire capillary
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, ...
Authors:Lieske, J, Guenther, S, Saouane, S, Selikhanov, G.K, Gabdulkhakov, A.G, Meents, A.
Deposit date:2021-11-09
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Fixed-target high-pressure macromolecular crystallography
To Be Published
7Q7O
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BU of 7q7o by Molmil
Room temperature structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H mutant at atmospheric pressure after high helium gas pressure release
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, ...
Authors:Lieske, J, Guenther, S, Saouane, S, Selikhanov, G.K, Gabdulkhakov, A.G, Meents, A.
Deposit date:2021-11-09
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Fixed-target high-pressure macromolecular crystallography
To Be Published
7Q77
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BU of 7q77 by Molmil
Room temperature structure of RNase A at 50 MPa helium gas pressure in a sapphire capillary
Descriptor: CHLORIDE ION, Ribonuclease pancreatic, SODIUM ION, ...
Authors:Lieske, J, Guenther, S, Saouane, S, Meents, A.
Deposit date:2021-11-09
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Fixed-target high-pressure macromolecular crystallography
To Be Published
7Q7B
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BU of 7q7b by Molmil
Room temperature structure of RNase A at atmospheric pressure in a sapphire capillary after high helium gas pressure release
Descriptor: CHLORIDE ION, Ribonuclease pancreatic, SODIUM ION, ...
Authors:Lieske, J, Guenther, S, Saouane, S, Meents, A.
Deposit date:2021-11-09
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Fixed-target high-pressure macromolecular crystallography
To Be Published
7Q7F
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BU of 7q7f by Molmil
Room temperature structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H mutant at atmospheric pressure
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, ...
Authors:Lieske, J, Guenther, S, Saouane, S, Selikhanov, G.K, Gabdulkhakov, A.G, Meents, A.
Deposit date:2021-11-09
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Fixed-target high-pressure macromolecular crystallography
To Be Published
7Q7M
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BU of 7q7m by Molmil
Room temperature structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H mutant at 100 MPa helium gas pressure in a sapphire capillary
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, ...
Authors:Lieske, J, Guenther, S, Saouane, S, Selikhanov, G.K, Gabdulkhakov, A.G, Meents, A.
Deposit date:2021-11-09
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Fixed-target high-pressure macromolecular crystallography
To Be Published

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