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7ADW
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BU of 7adw by Molmil
Structure of SARS-CoV-2 Main Protease bound to 2,4'-Dimethylpropiophenone.
Descriptor: 2-methyl-1-(4-methylphenyl)propan-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:2020-09-16
Release date:2020-12-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
7A1U
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BU of 7a1u by Molmil
Structure of SARS-CoV-2 Main Protease bound to Fusidic Acid.
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, FUSIDIC ACID, ...
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, Andaleeb, H, Werner, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, 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:2020-08-14
Release date:2020-12-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
6Q6Q
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BU of 6q6q by Molmil
Human aldehyde oxidase SNP G1269R
Descriptor: Aldehyde oxidase, FE2/S2 (INORGANIC) CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Mota, C, Coelho, C, Santos-Silva, T, Romao, M.J.
Deposit date:2018-12-11
Release date:2019-05-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.10003781 Å)
Cite:Human aldehyde oxidase (hAOX1): structure determination of the Moco-free form of the natural variant G1269R and biophysical studies of single nucleotide polymorphisms.
Febs Open Bio, 9, 2019
6WEB
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BU of 6web by Molmil
Multi-Hit SFX using MHz XFEL sources
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
Authors:Holmes, S, Darmanin, C, Abbey, B.
Deposit date:2020-04-01
Release date:2021-10-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Megahertz pulse trains enable multi-hit serial femtosecond crystallography experiments at X-ray free electron lasers.
Nat Commun, 13, 2022
6WEC
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BU of 6wec by Molmil
Multi-Hit SFX using MHz XFEL sources
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
Authors:Holmes, S, Darmanin, C, Abbey, B.
Deposit date:2020-04-01
Release date:2021-10-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Megahertz pulse trains enable multi-hit serial femtosecond crystallography experiments at X-ray free electron lasers.
Nat Commun, 13, 2022
8TFO
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BU of 8tfo by Molmil
Structure of MKvar
Descriptor: (R)-MEVALONATE, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Peat, T.S, Newman, J, Esquirol, L, Nebl, T, Scott, C, Vickers, C, Sainsbury, F.
Deposit date:2023-07-11
Release date:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Characterization of novel mevalonate kinases from the tardigrade Ramazzottius varieornatus and the psychrophilic archaeon Methanococcoides burtonii.
Acta Crystallogr D Struct Biol, 80, 2024
8TEB
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BU of 8teb by Molmil
Structure of MKbur
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Peat, T.S, Newman, J, Esquirol, L, Nebl, T, Scott, C, Vickers, C, Sainsbury, F.
Deposit date:2023-07-06
Release date:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Characterization of novel mevalonate kinases from the tardigrade Ramazzottius varieornatus and the psychrophilic archaeon Methanococcoides burtonii.
Acta Crystallogr D Struct Biol, 80, 2024
8TXA
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BU of 8txa by Molmil
Apo Structure of (N1G37) tRNA Methyltransferase from Mycobacterium marinum
Descriptor: tRNA (guanine-N(1)-)-methyltransferase
Authors:Balsamo, A, Bruno, C, Edele, C, Fabian, T, Jannotta, R, Lee, R, Schryver, D, Warsaw, J, Warsaw, L, Stojanoff, V, Battaile, K, Perez, A, Bolen, R.
Deposit date:2023-08-23
Release date:2024-04-10
Method:X-RAY DIFFRACTION (1.591 Å)
Cite:Apo Structure of (N1G37) tRNA Methyltransferase from Mycobacterium marinum
To Be Published
966C
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BU of 966c by Molmil
CRYSTAL STRUCTURE OF FIBROBLAST COLLAGENASE-1 COMPLEXED TO A DIPHENYL-ETHER SULPHONE BASED HYDROXAMIC ACID
Descriptor: CALCIUM ION, MMP-1, N-HYDROXY-2-[4-(4-PHENOXY-BENZENESULFONYL)-TETRAHYDRO-PYRAN-4-YL]-ACETAMIDE, ...
Authors:Lovejoy, B, Welch, A, Carr, S, Luong, C, Broka, C, Hendricks, R.T, Campbell, J, Walker, K, Martin, R, Van Wart, H, Browner, M.F.
Deposit date:1998-08-07
Release date:1999-08-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of MMP-1 and -13 reveal the structural basis for selectivity of collagenase inhibitors.
Nat.Struct.Biol., 6, 1999
8WZD
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BU of 8wzd by Molmil
The Crystal Structure of PKCi from Biortus
Descriptor: Adenosine 5'-monophosphoramidase HINT1
Authors:Wang, F, Cheng, W, Lv, Z, Ju, C, Ni, C.
Deposit date:2023-11-01
Release date:2023-11-29
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The Crystal Structure of PKCi from Biortus
To Be Published
8X2Q
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BU of 8x2q by Molmil
The Crystal Structure of APC from Biortus.
Descriptor: 1,2-ETHANEDIOL, Adenomatous polyposis coli protein
Authors:Wang, F, Cheng, W, Lv, Z, Ju, C, Bao, C.
Deposit date:2023-11-10
Release date:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Crystal Structure of APC from Biortus.
To Be Published
8X5Z
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BU of 8x5z by Molmil
The Crystal Structure of PAK1 kinase domain from Biortus.
Descriptor: Serine/threonine-protein kinase PAK 1
Authors:Wang, F, Cheng, W, Lv, Z, Ju, C, Ni, C.
Deposit date:2023-11-20
Release date:2023-12-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Crystal Structure of PAK1 kinase domain from Biortus.
To Be Published
8XQU
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BU of 8xqu by Molmil
The Crystal Structure of ClpC1-NTD from Biortus.
Descriptor: 1,2-ETHANEDIOL, ATP-dependent Clp protease ATP-binding subunit ClpC1, DI(HYDROXYETHYL)ETHER, ...
Authors:Wang, F, Cheng, W, Lv, Z, Ju, C, Ni, C.
Deposit date:2024-01-05
Release date:2024-03-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The Crystal Structure of ClpC1-NTD from Biortus.
To Be Published
8Y9A
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BU of 8y9a by Molmil
The Crystal Structure of USP8 from Biortus.
Descriptor: Ubiquitin carboxyl-terminal hydrolase 8
Authors:Wang, F, Cheng, W, Lv, Z, Ju, C, Bao, C.
Deposit date:2024-02-06
Release date:2024-03-06
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:The Crystal Structure of USP8 from Biortus.
To Be Published
8XQK
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BU of 8xqk by Molmil
The Crystal Structure of Apaf from Biortus.
Descriptor: Apoptotic protease-activating factor 1, PHOSPHATE ION
Authors:Wang, F, Cheng, W, Lv, Z, Ju, C, Ni, C.
Deposit date:2024-01-05
Release date:2024-03-06
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:The Crystal Structure of Apaf from Biortus.
To Be Published
8X7A
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BU of 8x7a by Molmil
Treprostinil bound Prostacyclin Receptor G protein complex
Descriptor: 2-[[(1~{R},2~{R},3~{a}~{S},9~{a}~{S})-2-oxidanyl-1-[(3~{S})-3-oxidanyloctyl]-2,3,3~{a},4,9,9~{a}-hexahydro-1~{H}-cyclopenta[g]naphthalen-5-yl]oxy]ethanoic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Wang, J.J, Jin, S, Zhang, H, Xu, Y, Hu, W, Jiang, Y, Chen, C, Wang, D.W, Xu, H.E, Wu, C.
Deposit date:2023-11-23
Release date:2024-03-06
Method:ELECTRON MICROSCOPY (2.56 Å)
Cite:Molecular recognition and activation of the prostacyclin receptor by anti-pulmonary arterial hypertension drugs.
Sci Adv, 10, 2024
8X79
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BU of 8x79 by Molmil
MRE-269 bound Prostacyclin Receptor G protein complex
Descriptor: 2-[4-[(5,6-diphenylpyrazin-2-yl)-propan-2-yl-amino]butoxy]ethanoic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Wang, J.J, Jin, S, Zhang, H, Xu, Y, Hu, W, Jiang, Y, Chen, C, Wang, D.W, Xu, H.E, Wu, C.
Deposit date:2023-11-23
Release date:2024-03-06
Method:ELECTRON MICROSCOPY (2.41 Å)
Cite:Molecular recognition and activation of the prostacyclin receptor by anti-pulmonary arterial hypertension drugs.
Sci Adv, 10, 2024
8XQD
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BU of 8xqd by Molmil
The Crystal Structure of PTPRG from Biortus.
Descriptor: Receptor-type tyrosine-protein phosphatase gamma
Authors:Wang, F, Cheng, W, Lv, Z, Ju, C, Ni, C.
Deposit date:2024-01-05
Release date:2024-03-06
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:The Crystal Structure of PTPRG from Biortus.
To Be Published
8XI8
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BU of 8xi8 by Molmil
The Crystal Structure of TAB1 from Biortus.
Descriptor: TGF-beta-activated kinase 1 and MAP3K7-binding protein 1
Authors:Wang, F, Cheng, W, Lv, Z, Ju, C, Bao, C.
Deposit date:2023-12-19
Release date:2024-03-06
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:The Crystal Structure of TAB1 from Biortus.
To Be Published
8XX1
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BU of 8xx1 by Molmil
The Crystal Structure of MAPKAP kinase 2 domain from Biortus
Descriptor: MAP kinase-activated protein kinase 2
Authors:Wang, F, Cheng, W, Lv, Z, Ju, C, Ni, C.
Deposit date:2024-01-17
Release date:2024-03-06
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:The Crystal Structure of MAPKAP kinase 2 domain from Biortus
To Be Published
8X39
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BU of 8x39 by Molmil
Crystal structure of cellulosomal double-dockerin module of Clo1313_0689 from Clostridium thermocellum
Descriptor: CALCIUM ION, Serine protease
Authors:Chen, C, Dong, S, Feng, Y.
Deposit date:2023-11-12
Release date:2024-04-03
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A cellulosomal double-dockerin module from Clostridium thermocellum shows distinct structural and cohesin-binding features.
Protein Sci., 33, 2024
8X3A
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BU of 8x3a by Molmil
Solution NMR structure of cellulosomal double-dockerin module of Clo1313_0689 from Clostridium thermocellum
Descriptor: CALCIUM ION, Serine protease
Authors:Chen, C, Feng, Y.
Deposit date:2023-11-12
Release date:2024-04-03
Method:SOLUTION NMR
Cite:A cellulosomal double-dockerin module from Clostridium thermocellum shows distinct structural and cohesin-binding features.
Protein Sci., 33, 2024
8SNX
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BU of 8snx by Molmil
Cryo-EM structure of the respiratory syncytial virus polymerase (L:P) bound to the leader promoter
Descriptor: Phosphoprotein, RNA (5'-R(*UP*UP*UP*UP*UP*CP*GP*CP*GP*U)-3'), RNA-directed RNA polymerase L
Authors:Cao, D, Gao, Y, Chen, Z, Gooneratne, I, Roesler, C, Mera, C, Liang, B.
Deposit date:2023-04-28
Release date:2023-12-20
Last modified:2024-01-31
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structures of the promoter-bound respiratory syncytial virus polymerase.
Nature, 625, 2024
8SNY
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BU of 8sny by Molmil
Cryo-EM structure of the respiratory syncytial virus polymerase (L:P) bound to the trailer complementary promoter
Descriptor: Phosphoprotein, RNA (5'-R(*UP*UP*UP*UP*UP*CP*UP*CP*GP*U)-3'), RNA-directed RNA polymerase L
Authors:Cao, D, Gao, Y, Chen, Z, Gooneratne, I, Roesler, C, Mera, C, Liang, B.
Deposit date:2023-04-28
Release date:2023-12-20
Last modified:2024-01-31
Method:ELECTRON MICROSCOPY (3.41 Å)
Cite:Structures of the promoter-bound respiratory syncytial virus polymerase.
Nature, 625, 2024
8T8D
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BU of 8t8d by Molmil
Structure of Helicobacter pylori adhesin A, HpaA
Descriptor: ACETATE ION, GLYCEROL, Neuraminyllactose-binding hemagglutinin
Authors:Martini, C, Calmettes, C.
Deposit date:2023-06-22
Release date:2024-01-31
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Unraveling the crystal structure of the HpaA adhesin: insights into cell adhesion function and epitope localization of a Helicobacter pylori vaccine candidate.
Mbio, 15, 2024

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