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7S7S
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BU of 7s7s by Molmil
Crystal structure of hydrophobin SC16, P21212
Descriptor: Hydrophobin
Authors:Vergunst, K.L, Langelaan, D.N.
Deposit date:2021-09-17
Release date:2022-01-19
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The N-terminal tail of the hydrophobin SC16 is not required for rodlet formation.
Sci Rep, 12, 2022
8XWX
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BU of 8xwx by Molmil
Crystal structure of FIS1-BAP31 complex from human
Descriptor: B-cell receptor-associated protein 31, BETA-MERCAPTOETHANOL, Mitochondrial fission 1 protein, ...
Authors:Nguyen, M.D, Bong, S.M, Lee, B.I.
Deposit date:2024-01-17
Release date:2024-05-15
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:A crystal structure containing FIS1 and BAP31 suggests the clue for FIS1-BAP31 interaction
To Be Published
4YE7
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BU of 4ye7 by Molmil
N-terminal domain of Orf22, a Cydia pomonella granulovirus envelope protein
Descriptor: ACETATE ION, ORF22 similar to XcGV ORF19
Authors:Busby, J.N, Metcalf, P.
Deposit date:2015-02-23
Release date:2016-03-09
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural studies of granulovirus envelope fibres.
To Be Published
9AZB
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BU of 9azb by Molmil
Crystal structure of LolTv5
Descriptor: Aminotransferase, class V/Cysteine desulfurase, PYRIDOXAL-5'-PHOSPHATE
Authors:Gao, J, Hai, Y.
Deposit date:2024-03-11
Release date:2024-07-17
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Enzymatic Synthesis of Unprotected alpha , beta-Diamino Acids via Direct Asymmetric Mannich Reactions.
J.Am.Chem.Soc., 146, 2024
9AZA
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BU of 9aza by Molmil
Crystal structure of LolTv4
Descriptor: Aminotransferase, class V/Cysteine desulfurase, PYRIDOXAL-5'-PHOSPHATE
Authors:Gao, J, Hai, Y.
Deposit date:2024-03-10
Release date:2024-07-17
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Enzymatic Synthesis of Unprotected alpha , beta-Diamino Acids via Direct Asymmetric Mannich Reactions.
J.Am.Chem.Soc., 146, 2024
8OVR
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BU of 8ovr by Molmil
Clostridium perfringens chitinase CP56_3454 apo form
Descriptor: Chitinase B, PIPERAZINE-N,N'-BIS(2-ETHANESULFONIC ACID), SODIUM ION, ...
Authors:Bloch, Y, Savvides, S.N.
Deposit date:2023-04-26
Release date:2023-07-12
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Clostridium perfringens chitinases, key enzymes during early stages of necrotic enteritis in broiler chickens.
Plos Pathog., 20, 2024
8OWF
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BU of 8owf by Molmil
Clostridium perfringens chitinase CP4_3455 with chitosan
Descriptor: 2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Chitodextrinase, ...
Authors:Bloch, Y, Savvides, S.N.
Deposit date:2023-04-27
Release date:2023-07-12
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Clostridium perfringens chitinases, key enzymes during early stages of necrotic enteritis in broiler chickens.
Plos Pathog., 20, 2024
9ARN
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BU of 9arn by Molmil
Structure and interactions of HIV-1 gp41 CHR-NHR reverse hairpin constructs reveal molecular determinants of antiviral activity
Descriptor: SULFATE ION, Transmembrane protein gp41
Authors:McAndrew, R.P, Ralston, C.Y, Gochin, M.
Deposit date:2024-02-23
Release date:2025-03-05
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Structure and Interactions of HIV-1 gp41 CHR-NHR Reverse Hairpin Constructs Reveal Molecular Determinants of Antiviral Activity.
J.Mol.Biol., 436, 2024
9ARP
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BU of 9arp by Molmil
Structure and interactions of HIV-1 gp41 CHR-NHR reverse hairpin constructs reveal molecular determinants of antiviral activity
Descriptor: Transmembrane protein gp41
Authors:McAndrew, R.P, Ralston, C.Y, Gochin, M.
Deposit date:2024-02-23
Release date:2025-03-05
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structure and Interactions of HIV-1 gp41 CHR-NHR Reverse Hairpin Constructs Reveal Molecular Determinants of Antiviral Activity.
J.Mol.Biol., 436, 2024
8OXU
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BU of 8oxu by Molmil
Crystal Structure of the Hsp90-LA1011 Complex
Descriptor: ATP-dependent molecular chaperone HSP82, dimethyl 2,6-bis[2-(dimethylamino)ethyl]-1-methyl-4-[4-(trifluoromethyl)phenyl]-4~{H}-pyridine-3,5-dicarboxylate
Authors:Roe, S.M, Prodromou, C.
Deposit date:2023-05-02
Release date:2023-07-12
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:The Crystal Structure of the Hsp90-LA1011 Complex and the Mechanism by Which LA1011 May Improve the Prognosis of Alzheimer's Disease.
Biomolecules, 13, 2023
6XR3
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BU of 6xr3 by Molmil
X-ray Structure of SARS-CoV-2 main protease bound to GRL-024-20 at 1.45 A
Descriptor: 3C-like proteinase, N-[(2S)-1-({(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
Authors:Anson, B, Ghosh, A.K, Mesecar, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-07-10
Release date:2020-08-19
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:X-ray Structure of SARS-CoV-2 main protease bound to GRL-024-20 at 1.45 A
To Be Published
9NRC
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BU of 9nrc by Molmil
TMPRSS6 in complex with REGN7999 Fab and REGN8023 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Saotome, K, Franklin, M.C.
Deposit date:2025-03-14
Release date:2025-07-09
Method:ELECTRON MICROSCOPY (3.29 Å)
Cite:A TMPRSS6-inhibiting mAb improves disease in a beta-thalassemia mouse model and reduces iron in healthy humans.
JCI Insight, 10, 2025
6XA9
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BU of 6xa9 by Molmil
SARS CoV-2 PLpro in complex with ISG15 C-terminal domain propargylamide
Descriptor: GLYCEROL, ISG15 CTD-propargylamide, Non-structural protein 3, ...
Authors:Klemm, T, Calleja, D.J, Richardson, L.W, Lechtenberg, B.C, Komander, D.
Deposit date:2020-06-04
Release date:2020-06-17
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Mechanism and inhibition of the papain-like protease, PLpro, of SARS-CoV-2.
Embo J., 39, 2020
6H6K
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BU of 6h6k by Molmil
The structure of the FKR mutant of the archaeal translation initiation factor 2 gamma subunit in complex with GDPCP, obtained in the absence of magnesium salts in the crystallization solution.
Descriptor: 1,2-ETHANEDIOL, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, SODIUM ION, ...
Authors:Nikonov, O, Kravchenko, O, Nevskaya, N, Stolboushkina, E, Gabdulkhakov, A, Garber, M, Nikonov, S.
Deposit date:2018-07-27
Release date:2019-04-17
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:The third structural switch in the archaeal translation initiation factor 2 (aIF2) molecule and its possible role in the initiation of GTP hydrolysis and the removal of aIF2 from the ribosome.
Acta Crystallogr D Struct Biol, 75, 2019
9K0A
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BU of 9k0a by Molmil
Structure of Pictet-Spenglerases KslB in complex with product
Descriptor: (1~{S},3~{S})-1-(3-hydroxy-3-oxopropyl)-2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3-dicarboxylic acid, Cucumopine synthase C-terminal helical bundle domain-containing protein, GLYCEROL
Authors:Mori, T, Renata, H, Abe, I.
Deposit date:2024-10-15
Release date:2025-06-18
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Structure of Pictet-Spenglerases KslB in complex with product
To Be Published
9MRF
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BU of 9mrf by Molmil
De novo designed apolar residue motif transmembrane helix
Descriptor: ApolarResidue_denovo_design_46727_KFYK, DI(HYDROXYETHYL)ETHER
Authors:Mravic, M, Zhang, M, Anderson, C.T.
Deposit date:2025-01-07
Release date:2025-01-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:De novo designed apolar residue motif transmembrane helix
To Be Published
9MDK
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BU of 9mdk by Molmil
Crystal Structure of E64-inhibited C0362 (TDE_0362 [TDE0362] resi 205-647)
Descriptor: 1,2-ETHANEDIOL, Bacterial Ig-like domain protein C0362, N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE
Authors:Clark, N.D, Malkowski, M.G.
Deposit date:2024-12-05
Release date:2025-02-12
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Structural insights into the role of the prosegment binding loop in a papain-superfamily cysteine protease from Treponema denticola.
Acta Crystallogr.,Sect.F, 81, 2025
9MDM
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BU of 9mdm by Molmil
Crystal Structure of C412S Mutant of C0362 (TDE_0362 [TDE0362] resi 205-647)
Descriptor: 1,2-ETHANEDIOL, Bacterial Ig-like domain protein C0362, PHOSPHATE ION, ...
Authors:Clark, N.D, Malkowski, M.G.
Deposit date:2024-12-05
Release date:2025-02-12
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Structural insights into the role of the prosegment binding loop in a papain-superfamily cysteine protease from Treponema denticola.
Acta Crystallogr.,Sect.F, 81, 2025
9MDO
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BU of 9mdo by Molmil
Crystal Structure of Y559A Prosegment Binding Loop Mutant of C0362 (TDE_0362 [TDE0362] resi 205-647)
Descriptor: 1,2-ETHANEDIOL, Bacterial Ig-like domain protein C0362, CHLORIDE ION
Authors:Clark, N.D, Malkowski, M.G.
Deposit date:2024-12-05
Release date:2025-02-12
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Structural insights into the role of the prosegment binding loop in a papain-superfamily cysteine protease from Treponema denticola.
Acta Crystallogr.,Sect.F, 81, 2025
9MUP
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BU of 9mup by Molmil
4OT-SnoaL from P. atlanticus - 3-bromopropiolate treated
Descriptor: Tautomerase
Authors:Melkonian, T.R, Vuksanovic, N, Allen, K.N, Whitman, C.P.
Deposit date:2025-01-14
Release date:2025-04-09
Last modified:2025-05-14
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Beyond the beta-alpha-beta Fold: Characterization of a SnoaL Domain in the Tautomerase Superfamily.
Biochemistry, 64, 2025
9MUA
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BU of 9mua by Molmil
4OT-SnoaL from P. atlanticus - Apo form
Descriptor: Tautomerase
Authors:Melkonian, T.R, Vuksanovic, N, Allen, K.N, Whitman, C.P.
Deposit date:2025-01-13
Release date:2025-04-09
Last modified:2025-05-14
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Beyond the beta-alpha-beta Fold: Characterization of a SnoaL Domain in the Tautomerase Superfamily.
Biochemistry, 64, 2025
7C7J
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BU of 7c7j by Molmil
Crystal structure of SHANK3 SPN domain in complex with GTP-bound Rap1b(G12V,Q63E)
Descriptor: CALCIUM ION, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Xiao, L.X, Pan, L.F.
Deposit date:2020-05-25
Release date:2021-05-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Mechanistic Insights into the Interactions of Ras Subfamily GTPases with the SPN Domain of Autism-associated SHANK3.
Chin.J.Chem., 38, 2020
7C7I
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BU of 7c7i by Molmil
Crystal structure of SHANK3 SPN domain in complex with GTP-bound Rap1b(E30D,K31E)
Descriptor: CALCIUM ION, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Xiao, L.X, Pan, L.F.
Deposit date:2020-05-25
Release date:2021-05-05
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Mechanistic Insights into the Interactions of Ras Subfamily GTPases with the SPN Domain of Autism-associated SHANK3.
Chin.J.Chem., 38, 2020
7BJ3
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BU of 7bj3 by Molmil
ScpA from Streptococcus pyogenes, S512A active site mutant
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, C5a peptidase, CALCIUM ION, ...
Authors:Kagawa, T.F, O'Connell, M.R, Cooney, J.C.
Deposit date:2021-01-13
Release date:2021-05-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Enzyme kinetic and binding studies identify determinants of specificity for the immunomodulatory enzyme ScpA, a C5a inactivating bacterial protease.
Comput Struct Biotechnol J, 19, 2021
7BBM
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BU of 7bbm by Molmil
Mutant nitrobindin M75L/H76L/Q96C/M148L (NB4H) from Arabidopsis thaliana with cofactor MnPPIX
Descriptor: 1,2-ETHANEDIOL, MANGANESE PROTOPORPHYRIN IX, UPF0678 fatty acid-binding protein-like protein At1g79260
Authors:Minges, A, Sauer, D.F, Wittwer, M, Markel, U, Spiertz, M, Schiffels, J, Davari, M.D, Okuda, J, Schwaneberg, U, Groth, G.
Deposit date:2020-12-18
Release date:2021-05-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Chemogenetic engineering of nitrobindin toward an artificial epoxygenase
Catalysis Science And Technology, 2021

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PDB entries from 2025-07-09

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