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1FL1
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BU of 1fl1 by Molmil
KSHV PROTEASE
Descriptor: POTASSIUM ION, PROTEASE
Authors:Reiling, K.K, Pray, T.R, Craik, C.S, Stroud, R.M.
Deposit date:2000-08-11
Release date:2000-11-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Functional consequences of the Kaposi's sarcoma-associated herpesvirus protease structure: regulation of activity and dimerization by conserved structural elements.
Biochemistry, 39, 2000
6ULX
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BU of 6ulx by Molmil
Adenylation domain of a keto acid-selecting NRPS module bound to keto acyl adenylate space group P43212
Descriptor: 5'-O-{(S)-hydroxy[(4-methyl-2-oxopentanoyl)oxy]phosphoryl}adenosine, Amino acid adenylation domain-containing protein, SULFATE ION
Authors:Alonzo, D.A, Chiche-Lapierre, C, Schmeing, T.M.
Deposit date:2019-10-08
Release date:2020-02-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Structural basis of keto acid utilization in nonribosomal depsipeptide synthesis.
Nat.Chem.Biol., 16, 2020
8RUU
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BU of 8ruu by Molmil
Fabs derived from bimekizumab in complex with IL-17F
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoblobulin heavy chain, Immunoblobulin light chain, ...
Authors:Adams, R, Lawson, A.D.G.
Deposit date:2024-01-31
Release date:2024-04-24
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Crystal Structure of Bimekizumab Fab Fragment in Complex with IL-17F Provides Molecular Basis for Dual IL-17A and IL-17F Inhibition.
J Invest Dermatol., 2024
7PTH
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BU of 7pth by Molmil
C54S mutant of choline-sulfatase from E. meliloti CECT4857 bound to choline
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
Authors:Gavira, J.A, Martinez-Rodriguez, S.
Deposit date:2021-09-27
Release date:2022-08-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural insights into choline-O-sulfatase reveal the molecular determinants for ligand binding.
Acta Crystallogr D Struct Biol, 78, 2022
7PQN
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BU of 7pqn by Molmil
Catalytic fragment of MASP-2 in complex with ecotin
Descriptor: Ecotin, GLYCEROL, Mannan-binding lectin serine protease 2 A chain, ...
Authors:Harmat, V, Fodor, K, Heja, D.
Deposit date:2021-09-17
Release date:2022-05-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.400015 Å)
Cite:Synergy of protease-binding sites within the ecotin homodimer is crucial for inhibition of MASP enzymes and for blocking lectin pathway activation.
J.Biol.Chem., 298, 2022
8TUA
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BU of 8tua by Molmil
Full-length P-Rex1 in complex with inositol 1,3,4,5-tetrakisphosphate (IP4)
Descriptor: INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, Phosphatidylinositol 3,4,5-trisphosphate-dependent Rac exchanger 1 protein
Authors:Cash, J.N, Tesmer, J.J.G.
Deposit date:2023-08-15
Release date:2024-04-10
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Full-length P-Rex1 in complex with inositol 1,3,4,5-tetrakisphosphate (IP4)
Elife, 2024
6PQ7
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BU of 6pq7 by Molmil
Structure of the iMango-III fluorescent aptamer at room temperature.
Descriptor: MAGNESIUM ION, POTASSIUM ION, RNA (37-MER), ...
Authors:Trachman III, R.J, Ferre-D'Amare, A.R.
Deposit date:2019-07-08
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3 Å)
Cite:Co-crystal structure of the iMango-III fluorescent RNA aptamer using an X-ray free-electron laser.
Acta Crystallogr.,Sect.F, 75, 2019
7U7O
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BU of 7u7o by Molmil
Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional T-A rich sequence.
Descriptor: DNA (5'-D(A*TP*AP*AP*TP*TP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*G)-3'), DNA (5'-D(A*TP*AP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*AP*AP*T)-3'), MAGNESIUM ION, ...
Authors:Ward, A.R, Snow, C.D.
Deposit date:2022-03-07
Release date:2023-03-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.97 Å)
Cite:Modular Protein-DNA Cocrystals as Precise, Programmable Assembly Scaffolds.
Acs Nano, 17, 2023
7UFX
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BU of 7ufx by Molmil
Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and scaffold-insert duplexes (21mer and 10mer) containing the cognate REPE54 sequence and an additional G-C rich sequence, respectively.
Descriptor: DNA (5'-D(A*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*A)-3'), DNA (5'-D(A*GP*AP*CP*GP*GP*CP*CP*CP*GP*G)-3'), DNA (5'-D(A*GP*TP*CP*CP*GP*GP*GP*CP*CP*G)-3'), ...
Authors:Ward, A.R, Shields, E.T, Snow, C.D.
Deposit date:2022-03-23
Release date:2023-03-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Modular Protein-DNA Cocrystals as Precise, Programmable Assembly Scaffolds.
Acs Nano, 17, 2023
7UR0
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BU of 7ur0 by Molmil
Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and scaffold-insert duplexes (21mer and 10mer) containing the cognate REPE54 sequence and an additional T-A rich sequence, respectively.
Descriptor: DNA (5'-D(*AP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*A)-3'), DNA (5'-D(A*GP*AP*CP*GP*GP*TP*AP*AP*TP*T)-3'), DNA (5'-D(A*GP*TP*AP*AP*TP*TP*AP*CP*CP*G)-3'), ...
Authors:Orun, A.R, Snow, C.D.
Deposit date:2022-04-20
Release date:2023-04-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Modular Protein-DNA Cocrystals as Precise, Programmable Assembly Scaffolds.
Acs Nano, 17, 2023
7UXY
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BU of 7uxy by Molmil
Isoreticular, interpenetrating co-crystal of protein variant Replication Initiator Protein REPE54 (L53G,Q54G,E55G) and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence.
Descriptor: DNA (5'-D(A*CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*P*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*G)-3'), DNA (5'-D(A*GP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*P*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*GP*G)-3'), MAGNESIUM ION, ...
Authors:Orun, A.R, Snow, C.D.
Deposit date:2022-05-06
Release date:2023-05-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Modular Protein-DNA Cocrystals as Precise, Programmable Assembly Scaffolds.
Acs Nano, 17, 2023
6MYV
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BU of 6myv by Molmil
Sialidase26 co-crystallized with DANA-Gc
Descriptor: 2,6-anhydro-3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-L-altro-non-2-enonic acid, Sialidase26
Authors:Zaramela, L.S, Martino, C, Alisson-Silva, F, Rees, S.D, Diaz, S.L, Chuzel, L, Ganatra, M.B, Taron, C.H, Zuniga, C, Huang, J, Siegel, D, Chang, G, Varki, A, Zengler, K.
Deposit date:2018-11-02
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Gut bacteria responding to dietary change encode sialidases that exhibit preference for red meat-associated carbohydrates.
Nat Microbiol, 4, 2019
8CGA
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BU of 8cga by Molmil
Structure of Mycobacterium tuberculosis dUTPase delta 133A-137S mutant
Descriptor: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Deoxyuridine 5'-triphosphate nucleotidohydrolase, ...
Authors:Toth, Z.S, Benedek, A, Leveles, I, Vertessy, B.G.
Deposit date:2023-02-03
Release date:2024-05-15
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structure of Mycobacterium tuberculosis dUTPase delta 133A-137S mutant
To Be Published
5EBJ
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BU of 5ebj by Molmil
Joint X-ray/neutron structure of reversibly photoswitching chromogenic protein, Dathail
Descriptor: photoswitching chromogenic protein
Authors:Kovalevsky, A.Y, Langan, P.S, Bradbury, A.R.M.
Deposit date:2015-10-19
Release date:2016-04-06
Last modified:2023-11-15
Method:NEUTRON DIFFRACTION (2.5 Å), X-RAY DIFFRACTION
Cite:Evolution and characterization of a new reversibly photoswitching chromogenic protein, Dathail.
J.Mol.Biol., 428, 2016
7ABB
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BU of 7abb by Molmil
The truncated structure of the Bottromycin biosynthetic protein SalCYP
Descriptor: HEME C, SalCYP truncation
Authors:Adam, S, Koehnke, J.
Deposit date:2020-09-07
Release date:2020-12-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.50004339 Å)
Cite:Characterization of the Stereoselective P450 Enzyme BotCYP Enables the In Vitro Biosynthesis of the Bottromycin Core Scaffold.
J.Am.Chem.Soc., 142, 2020
6ZNW
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BU of 6znw by Molmil
Methanosaeta concilii ATP citrate lyase (D541A mutant) in complex with (3S)-citryl-CoA.
Descriptor: (3S)-citryl-Coenzyme A, CITRATE ANION, Citrate lyase, ...
Authors:Verschueren, K.H.G, Verstraete, K.
Deposit date:2020-07-06
Release date:2021-07-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.121 Å)
Cite:Acetyl-CoA is produced by the citrate synthase homology module of ATP-citrate lyase.
Nat.Struct.Mol.Biol., 28, 2021
5C6E
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BU of 5c6e by Molmil
Joint X-ray/neutron structure of equine cyanomet hemoglobin in R state
Descriptor: CYANIDE ION, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Dajnowicz, S, Sean, S, Hanson, B.L, Fisher, S.Z, Langan, P, Kovalevsky, A.Y, Mueser, T.C.
Deposit date:2015-06-22
Release date:2016-06-22
Last modified:2024-03-06
Method:NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION
Cite:Visualizing the Bohr effect in hemoglobin: neutron structure of equine cyanomethemoglobin in the R state and comparison with human deoxyhemoglobin in the T state.
Acta Crystallogr D Struct Biol, 72, 2016
2EU1
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BU of 2eu1 by Molmil
Crystal structure of the chaperonin GroEL-E461K
Descriptor: GROEL
Authors:Cabo-Bilbao, A, Spinelli, S, Sot, B, Agirre, J, Mechaly, A.E, Muga, A, Guerin, D.M.A.
Deposit date:2005-10-28
Release date:2006-08-29
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3.29 Å)
Cite:Crystal structure of the temperature-sensitive and allosteric-defective chaperonin GroEL(E461K).
J.Struct.Biol., 155, 2006
8TBV
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BU of 8tbv by Molmil
Human Class I MHC HLA-A2 in complex with sorting nexin 24 (127-135) neoantigen KLSHQLVLL
Descriptor: Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Arbuiso, A, Weiss, L.I, Brambley, C.A, Ma, J, Keller, G.L.J, Ayres, C.M, Baker, B.M.
Deposit date:2023-06-29
Release date:2024-01-17
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Accurate modeling of peptide-MHC structures with AlphaFold.
Structure, 32, 2024
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
9F3X
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BU of 9f3x by Molmil
CutC choline lyase in complex with cyclopropylcholine
Descriptor: Choline trimethylamine-lyase, cyclopropylcholine
Authors:Kalnins, G.
Deposit date:2024-04-26
Release date:2024-05-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:CutC choline lyase in complex with fluoromethylcholine
To Be Published
9F3Y
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BU of 9f3y by Molmil
CutC choline lyase in complex with difluorocholine
Descriptor: Choline trimethylamine-lyase, difluorocholine
Authors:Kalnins, G.
Deposit date:2024-04-26
Release date:2024-05-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:CutC choline lyase in complex with difluorocholine
To Be Published
8TT5
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BU of 8tt5 by Molmil
Pseudomonas fluorescens isocyanide hydratase pH=8.3
Descriptor: 1,2-ETHANEDIOL, Isonitrile hydratase InhA
Authors:Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C.
Deposit date:2023-08-12
Release date:2023-09-20
Method:X-RAY DIFFRACTION (1.02 Å)
Cite:Changes in an Enzyme Ensemble During Catalysis Observed by High Resolution XFEL Crystallography.
Biorxiv, 2023
7U6K
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BU of 7u6k by Molmil
Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence.
Descriptor: DNA (5'-D(A*CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*G)-3'), DNA (5'-D(A*GP*GP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*G)-3'), MAGNESIUM ION, ...
Authors:Ward, A.R, Snow, C.D.
Deposit date:2022-03-04
Release date:2023-03-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Modular Protein-DNA Cocrystals as Precise, Programmable Assembly Scaffolds.
Acs Nano, 17, 2023
7UOG
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BU of 7uog by Molmil
Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and asymmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence.
Descriptor: DNA (5'-D(AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*CP*CP*GP*CP*CP*TP*T)-3', DNA (5'-D(GP*TP*AP*AP*GP*GP*CP*GP*GP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*G)-3', MAGNESIUM ION, ...
Authors:Ward, A.R, Snow, C.D.
Deposit date:2022-04-12
Release date:2023-04-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Modular Protein-DNA Cocrystals as Precise, Programmable Assembly Scaffolds.
Acs Nano, 17, 2023

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數據於2024-05-29公開中

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