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6PW8
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BU of 6pw8 by Molmil
Hydrocarbon-Stapled Paxillin Peptide Bound to the Focal Adhesion Targeting (FAT) Domain of the Focal Adhesion Kinase (FAK)
Descriptor: CHLORIDE ION, Focal adhesion kinase 1, SP3, ...
Authors:Thifault, D.G, Fromme, P, Martin-Garcia, J.M.
Deposit date:2019-07-22
Release date:2020-07-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Stapled Peptide Ligand Bound to the Focal Adhesion Targeting (FAT) Domain of the Focal Adhesion Kinase (FAK)
To Be Published
6VAP
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BU of 6vap by Molmil
Structure of the type II thioesterase BorB from the borrelidin biosynthetic cluster
Descriptor: Thioesterase
Authors:Pereira, J.H, Curran, S.C, Baluyot, M.-J, Lake, J, Putz, H, Rosenburg, D, Keasling, J, Adams, P.D.
Deposit date:2019-12-17
Release date:2020-05-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Structure and Function of BorB, the Type II Thioesterase from the Borrelidin Biosynthetic Gene Cluster.
Biochemistry, 59, 2020
6VIF
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BU of 6vif by Molmil
Human LRH-1 ligand-binding domain bound to agonist cpd 15 and fragment of coregulator TIF-2
Descriptor: N-[(8beta,11alpha,12alpha)-8-{[methyl(phenyl)amino]methyl}-1,6:7,14-dicycloprosta-1(6),2,4,7(14)-tetraen-11-yl]sulfuric diamide, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2
Authors:Cato, M.L, Ortlund, E.A.
Deposit date:2020-01-13
Release date:2020-06-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Development of a new class of liver receptor homolog-1 (LRH-1) agonists by photoredox conjugate addition.
Bioorg.Med.Chem.Lett., 30, 2020
6MF2
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BU of 6mf2 by Molmil
Improved Model of Human Coagulation Factor VIII
Descriptor: CALCIUM ION, COPPER (I) ION, Coagulation factor VIII, ...
Authors:Smith, I.W, Spiegel, P.C.
Deposit date:2018-09-08
Release date:2019-09-11
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.609364 Å)
Cite:The 3.2 angstrom structure of a bioengineered variant of blood coagulation factor VIII indicates two conformations of the C2 domain.
J.Thromb.Haemost., 18, 2020
6MF0
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BU of 6mf0 by Molmil
Crystal Structure Determination of Human/Porcine Chimera Coagulation Factor VIII
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, COPPER (I) ION, ...
Authors:Smith, I.W, Spiegel, P.C.
Deposit date:2018-09-07
Release date:2019-09-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.19999886 Å)
Cite:The 3.2 angstrom structure of a bioengineered variant of blood coagulation factor VIII indicates two conformations of the C2 domain.
J.Thromb.Haemost., 18, 2020
9EQF
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BU of 9eqf by Molmil
Crystal structure of the L-arginine hydroxylase VioC MeHis316, bound to Fe(II), L-arginine, and succinate
Descriptor: 1,2-ETHANEDIOL, ARGININE, Alpha-ketoglutarate-dependent L-arginine hydroxylase, ...
Authors:Hardy, F.J.
Deposit date:2024-03-21
Release date:2024-07-31
Last modified:2024-08-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Probing Ferryl Reactivity in a Nonheme Iron Oxygenase Using an Expanded Genetic Code.
Acs Catalysis, 14, 2024
9C6M
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BU of 9c6m by Molmil
Yasminevirus c12orf29, a 5' to 3' RNA ligase, K73M mutant
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, RNA ligase1
Authors:Hu, Y, Lopez, V.A, Tagliabracci, V.S, Tomchick, D.R.
Deposit date:2024-06-07
Release date:2024-10-02
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Biochemical and structural insights into a 5' to 3' RNA ligase reveal a potential role in tRNA ligation
To Be Published
9F18
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BU of 9f18 by Molmil
Crystal structure of a first-in-class antibody for alpha-1,6-fucosylated prostate-specific antigen
Descriptor: Heavy chain rabbit fab, Light chain rabbit fab
Authors:Halldorsson, S.
Deposit date:2024-04-18
Release date:2024-07-31
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Development of a first-in-class antibody and a specific assay for alpha-1,6-fucosylated prostate-specific antigen.
Sci Rep, 14, 2024
9FTW
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BU of 9ftw by Molmil
Crystal structure of calcium-activated EndoU
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
Authors:Fribourg, S, Campagne, S.
Deposit date:2024-06-25
Release date:2024-08-14
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Molecular Basis for the Calcium-Dependent Activation of the Ribonuclease EndoU.
Res Sq, 2024
9ARD
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BU of 9ard by Molmil
Structure of Pycsar EcPycC cyclase immunoglobulin-like AGS-C domain
Descriptor: Cytidylate cyclase
Authors:Richmond-Buccola, D, Kranzusch, P.J.
Deposit date:2024-02-23
Release date:2024-06-19
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:A large-scale type I CBASS antiphage screen identifies the phage prohead protease as a key determinant of immune activation and evasion.
Cell Host Microbe, 32, 2024
9GP2
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BU of 9gp2 by Molmil
apoJ22.9 Unliganded structure of an Fab fragment from the therapeutic antibody J22.9-xi
Descriptor: Chains: H, Chains: L
Authors:Marino, S.F, Daumke, O.
Deposit date:2024-09-06
Release date:2024-09-25
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:apoJ22.9 Unliganded structure of an Fab fragment from the therapeutic antibody J22.9-xi
To Be Published
9ETK
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BU of 9etk by Molmil
Crystal structure of Vibrio cholerae RNase AM
Descriptor: GLYCEROL, MAGNESIUM ION, MANGANESE (II) ION, ...
Authors:Lormand, J.D, Sondermann, H.
Deposit date:2024-03-26
Release date:2024-09-11
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Crystal Structure of Vibrio cholerase RNase AM
To Be Published
9C0O
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BU of 9c0o by Molmil
Crystal structure of DmCfp1 PHD finger bound to H3K4me3
Descriptor: CXXC-type zinc finger protein 1, DIMETHYL SULFOXIDE, Histone H3.3C, ...
Authors:Gregoire, S, Couture, J.F.
Deposit date:2024-05-27
Release date:2024-07-03
Last modified:2024-09-25
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Structural insights into an atypical histone binding mechanism by a PHD finger.
Structure, 32, 2024
1OWN
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BU of 1own by Molmil
DATA3:DNA photolyase / received X-rays dose 4.8 exp15 photons/mm2
Descriptor: Deoxyribodipyrimidine photolyase, FLAVIN-ADENINE DINUCLEOTIDE, PHOSPHATE ION
Authors:Komori, H, Adachi, S, Miki, K, Eker, A, Kort, R.
Deposit date:2003-03-28
Release date:2004-04-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:DNA apophotolyase from Anacystis nidulans: 1.8 A structure, 8-HDF reconstitution and X-ray-induced FAD reduction.
Acta Crystallogr.,Sect.D, 60, 2004
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
1OWP
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BU of 1owp by Molmil
DATA6:photoreduced DNA pholyase / received X-rays dose 4.8 exp15 photons/mm2
Descriptor: Deoxyribodipyrimidine photolyase, FLAVIN-ADENINE DINUCLEOTIDE, PHOSPHATE ION
Authors:Komori, H, Adachi, S, Miki, K, Eker, A, Kort, R.
Deposit date:2003-03-28
Release date:2004-04-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:DNA apophotolyase from Anacystis nidulans: 1.8 A structure, 8-HDF reconstitution and X-ray-induced FAD reduction.
Acta Crystallogr.,Sect.D, 60, 2004
1OWL
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BU of 1owl by Molmil
Structure of apophotolyase from Anacystis nidulans
Descriptor: Deoxyribodipyrimidine photolyase, FLAVIN-ADENINE DINUCLEOTIDE, PHOSPHATE ION
Authors:Komori, H, Adachi, S, Miki, K, Eker, A, Kort, R.
Deposit date:2003-03-28
Release date:2004-04-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:DNA apophotolyase from Anacystis nidulans: 1.8 A structure, 8-HDF reconstitution and X-ray-induced FAD reduction.
Acta Crystallogr.,Sect.D, 60, 2004
1OWO
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BU of 1owo by Molmil
DATA4:photoreduced DNA photolyase / received X-rays dose 1.2 exp15 photons/mm2
Descriptor: Deoxyribodipyrimidine photolyase, FLAVIN-ADENINE DINUCLEOTIDE, PHOSPHATE ION
Authors:Komori, H, Adachi, S, Miki, K, Eker, A, Kort, R.
Deposit date:2003-03-28
Release date:2004-04-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:DNA apophotolyase from Anacystis nidulans: 1.8 A structure, 8-HDF reconstitution and X-ray-induced FAD reduction.
Acta Crystallogr.,Sect.D, 60, 2004
1N51
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BU of 1n51 by Molmil
Aminopeptidase P in complex with the inhibitor apstatin
Descriptor: MANGANESE (II) ION, Xaa-Pro aminopeptidase, apstatin
Authors:Graham, S.C, Maher, M.J, Lee, M.H, Simmons, W.H, Freeman, H.C, Guss, J.M.
Deposit date:2002-11-03
Release date:2003-12-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of Escherichia coli aminopeptidase P in complex with the inhibitor apstatin.
Acta Crystallogr.,Sect.D, 60, 2004
1MNF
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BU of 1mnf by Molmil
Domain motions in GroEL upon binding of an oligopeptide
Descriptor: 12-residue peptide substrate, groEL protein
Authors:Wang, J, Chen, L.
Deposit date:2002-09-05
Release date:2003-10-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3 Å)
Cite:Domain Motions in GroEL upon Binding of an Oligopeptide.
J.Mol.Biol., 334, 2003
1OWM
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BU of 1owm by Molmil
DATA1:DNA photolyase / received X-rays dose 1.2 exp15 photons/mm2
Descriptor: Deoxyribodipyrimidine photolyase, FLAVIN-ADENINE DINUCLEOTIDE, PHOSPHATE ION
Authors:Komori, H, Adachi, S, Miki, K, Eker, A, Kort, R.
Deposit date:2003-03-28
Release date:2004-04-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:DNA apophotolyase from Anacystis nidulans: 1.8 A structure, 8-HDF reconstitution and X-ray-induced FAD reduction.
Acta Crystallogr.,Sect.D, 60, 2004
1Q9E
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BU of 1q9e by Molmil
RNase T1 variant with adenine specificity
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Guanyl-specific ribonuclease T1 precursor
Authors:Czaja, R, Struhalla, M, Hoeschler, K, Saenger, W, Straeter, N, Hahn, U.
Deposit date:2003-08-25
Release date:2004-03-23
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:RNase T1 Variant RV Cleaves Single-Stranded RNA after Purines Due to Specific Recognition by the Asn46 Side Chain Amide.
Biochemistry, 43, 2004
7PQO
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BU of 7pqo by Molmil
Catalytic fragment of MASP-1 in complex with P1 site mutant ecotin
Descriptor: Ecotin, GLYCEROL, Mannan-binding lectin serine protease 1, ...
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 (3.39 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
6MRV
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BU of 6mrv by Molmil
Sialidase26 co-crystallized with DANA
Descriptor: 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC 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, Chang, G, Varki, A, Zengler, K.
Deposit date:2018-10-15
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Gut bacteria responding to dietary change encode sialidases that exhibit preference for red meat-associated carbohydrates.
Nat Microbiol, 4, 2019
7PUX
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BU of 7pux by Molmil
Structure of p97 N-D1(L198W) in complex with Fragment TROLL2
Descriptor: (1S)-2-amino-1-(4-bromophenyl)ethan-1-ol, ADENOSINE-5'-DIPHOSPHATE, DI(HYDROXYETHYL)ETHER, ...
Authors:Bothe, S, Schindelin, H.
Deposit date:2021-10-01
Release date:2022-12-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Fragment screening using biolayer interferometry reveals ligands targeting the SHP-motif binding site of the AAA+ ATPase p97
Commun Chem, 5, 2022

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