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8TSB
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BU of 8tsb by Molmil
Human PI3K p85alpha/p110alpha bound to compound 2
Descriptor: 5-(3-bromo-5-fluorobenzamido)-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J.
Deposit date:2023-08-11
Release date:2023-11-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.53 Å)
Cite:Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
8AVT
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BU of 8avt by Molmil
Racemic protein crystal structure of aureocin A53 from Staphylococcus aureus in the presence of glycerol 3-phosphate
Descriptor: 1,2-ETHANEDIOL, Bacteriocin aureocin A53, D-Aureocin A53, ...
Authors:Lander, A.J, Baumann, P, Rizkallah, P, Jin, Y, Luk, L.Y.P.
Deposit date:2022-08-26
Release date:2023-07-26
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Roles of inter- and intramolecular tryptophan interactions in membrane-active proteins revealed by racemic protein crystallography.
Commun Chem, 6, 2023
7REH
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BU of 7reh by Molmil
Crystal structure of T252E CYP199A4 bound to 4-methoxybenzoic acid
Descriptor: 4-METHOXYBENZOIC ACID, ACETATE ION, CHLORIDE ION, ...
Authors:Podgorski, M.N, Bruning, J.B, Bell, S.G.
Deposit date:2021-07-12
Release date:2022-02-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.545 Å)
Cite:An Altered Heme Environment in an Engineered Cytochrome P450 Enzyme Enables the Switch from Monooxygenase to Peroxygenase Activity
Acs Catalysis, 2022
8AX8
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BU of 8ax8 by Molmil
Human Apolipoprotein E4 (ApoE4) N-terminal domain (space group P3121)
Descriptor: Maltose/maltodextrin-binding periplasmic protein,Apolipoprotein E
Authors:Nemergut, M, Marek, M.
Deposit date:2022-08-31
Release date:2023-08-02
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.551 Å)
Cite:Domino-like effect of C112R mutation on ApoE4 aggregation and its reduction by Alzheimer's Disease drug candidate.
Mol Neurodegener, 18, 2023
7RLZ
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BU of 7rlz by Molmil
Antibody 2F2 in complex with P. vivax CSP peptide GDRAAGQPAGNGAGGQAA
Descriptor: 2F2 Fab heavy chain, 2F2 Fab light chain, peptide from Circumsporozoite protein variant VK210
Authors:Kucharska, I, Julien, J.P.
Deposit date:2021-07-26
Release date:2022-01-26
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structural basis of Plasmodium vivax inhibition by antibodies binding to the circumsporozoite protein repeats.
Elife, 11, 2022
8TRS
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BU of 8trs by Molmil
Structure of the EphA2 CRD bound to FabS1CE_C1, trigonal form
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Singer, A.U, Bruce, H.A, Blazer, L, Adams, J.J, Sicheri, F, Sidhu, S.S.
Deposit date:2023-08-10
Release date:2023-11-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Engineered antigen-binding fragments for enhanced crystallization of antibody:antigen complexes.
Protein Sci., 33, 2024
7RM1
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BU of 7rm1 by Molmil
Antibody 2F2 in complex with P. vivax CSP peptide EDGAGNQPGANGAGNQPGANGAGNQPG
Descriptor: 2E10.E9 Fab heavy chain, 2E10.E9 Fab light chain, peptide from Circumsporozoite protein variant VK247
Authors:Kucharska, I, Ivanochko, D, Julien, J.P.
Deposit date:2021-07-26
Release date:2022-01-26
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Structural basis of Plasmodium vivax inhibition by antibodies binding to the circumsporozoite protein repeats.
Elife, 11, 2022
7MWM
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BU of 7mwm by Molmil
Crystal structure of MBD2 with DNA
Descriptor: DNA (5'-D(*GP*CP*CP*AP*A)-R(P*(5MC))-D(P*GP*TP*TP*GP*GP*C)-3'), Methyl-CpG-binding domain protein 2, UNKNOWN ATOM OR ION
Authors:Liu, K, Dong, A, Edwards, A.M, Arrowsmith, C.H, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2021-05-17
Release date:2021-07-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:Crystal structure of MBD2 with DNA
To Be Published
8AVR
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BU of 8avr by Molmil
Racemic protein crystal structure of aureocin A53 from Staphylococcus aureus in the presence of sulfate
Descriptor: 1,2-ETHANEDIOL, Bacteriocin aureocin A53, D-Aureocin A53, ...
Authors:Lander, A.J, Baumann, P, Rizkallah, P, Jin, Y, Luk, L.Y.P.
Deposit date:2022-08-26
Release date:2023-07-26
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Roles of inter- and intramolecular tryptophan interactions in membrane-active proteins revealed by racemic protein crystallography.
Commun Chem, 6, 2023
7B4Y
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BU of 7b4y by Molmil
Structure of the M298L mutant of the Streptomyces coelicolor small laccase T1 copper axial ligand
Descriptor: COPPER (II) ION, Putative copper oxidase
Authors:Zovo, K, Majumdar, S, Lukk, T.
Deposit date:2020-12-02
Release date:2022-02-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Substitution of the Methionine Axial Ligand of the T1 Copper for the Fungal-like Phenylalanine Ligand (M298F) Causes Local Structural Perturbations that Lead to Thermal Instability and Reduced Catalytic Efficiency of the Small Laccase from Streptomyces coelicolor A3(2).
Acs Omega, 7, 2022
6HLK
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BU of 6hlk by Molmil
Hijacking the Hijackers: Escherichia coli Pathogenicity Islands Redirect Helper Phage Packaging for Their Own Benefit.
Descriptor: Redirecting phage packaging protein C (RppC)
Authors:Penades, J.R, Bacarizo, J, Marina, A, Alqasmi, M, Fillol-Salom, A, Roszak, A.W, Ciges-Tomas, J.R.
Deposit date:2018-09-11
Release date:2019-07-31
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Hijacking the Hijackers: Escherichia coli Pathogenicity Islands Redirect Helper Phage Packaging for Their Own Benefit.
Mol.Cell, 75, 2019
7RLX
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BU of 7rlx by Molmil
Antibody 2F2 in complex with P. vivax CSP peptide GDRADGQPAGDRAAGQPA
Descriptor: 2F2 Fab heavy chain, 2F2 Fab light chain, peptide from Circumsporozoite protein variant VK210
Authors:Kucharska, I, Julien, J.P.
Deposit date:2021-07-26
Release date:2022-01-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural basis of Plasmodium vivax inhibition by antibodies binding to the circumsporozoite protein repeats.
Elife, 11, 2022
8T8I
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BU of 8t8i by Molmil
Structure of VHH-Fab complex with engineered Elbow FNQIKG, Crystal Kappa and SER substitutions
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Fab heavy chain, ...
Authors:Filippova, E.V, Thompson, I, Kossiakoff, A.A.
Deposit date:2023-06-22
Release date:2023-11-29
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Engineered antigen-binding fragments for enhanced crystallization of antibody:antigen complexes.
Protein Sci., 33, 2024
7RLY
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BU of 7rly by Molmil
Antibody 2F2 in complex with P. vivax CSP peptide DRAAGQPAGDRADGQPA
Descriptor: 2F2 Fab heavy chain, 2F2 Fab light chain, peptide from Circumsporozoite protein variant VK210
Authors:Kucharska, I, Julien, J.P.
Deposit date:2021-07-26
Release date:2022-01-26
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Structural basis of Plasmodium vivax inhibition by antibodies binding to the circumsporozoite protein repeats.
Elife, 11, 2022
6HX9
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BU of 6hx9 by Molmil
Putrescine transaminase from Pseudomonas putida
Descriptor: Aspartate aminotransferase family protein
Authors:Gahloth, D.
Deposit date:2018-10-16
Release date:2019-06-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Characterization of a Putrescine Transaminase FromPseudomonas putidaand its Application to the Synthesis of Benzylamine Derivatives.
Front Bioeng Biotechnol, 6, 2018
8THS
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BU of 8ths by Molmil
Crystal Structure of a reconstructed Kaede-type Red Fluorescent Protein, LEA A69T
Descriptor: DI(HYDROXYETHYL)ETHER, KAEDE-TYPE RED FLUORESCENT PROTEIN, LEA A69T, ...
Authors:Henderson, J.N, Mills, J.H.
Deposit date:2023-07-17
Release date:2023-11-29
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Capturing excited-state structural snapshots of evolutionary green-to-red photochromic fluorescent proteins.
Front Chem, 11, 2023
7RLV
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BU of 7rlv by Molmil
Antibody 2F2 in complex with P. vivax CSP peptide GDRADGQPAGDRADGQPA
Descriptor: 1,2-ETHANEDIOL, 2F2 Fab heavy chain, 2F2 Fab light chain, ...
Authors:Kucharska, I, Julien, J.P.
Deposit date:2021-07-26
Release date:2022-01-26
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis of Plasmodium vivax inhibition by antibodies binding to the circumsporozoite protein repeats.
Elife, 11, 2022
8AVS
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BU of 8avs by Molmil
Racemic protein crystal structure of aureocin A53 from Staphylococcus aureus in the presence of citrate and acetate
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Bacteriocin aureocin A53, ...
Authors:Lander, A.J, Baumann, P, Rizkallah, P, Jin, Y, Luk, L.Y.P.
Deposit date:2022-08-26
Release date:2023-07-26
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Roles of inter- and intramolecular tryptophan interactions in membrane-active proteins revealed by racemic protein crystallography.
Commun Chem, 6, 2023
6HXH
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BU of 6hxh by Molmil
Structure of the human ATP citrate lyase holoenzyme in complex with citrate, coenzyme A and Mg.ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-citrate synthase,Human ATP citrate lyase, CITRATE ANION, ...
Authors:Verstraete, K, Verschueren, K.
Deposit date:2018-10-17
Release date:2019-04-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structure of ATP citrate lyase and the origin of citrate synthase in the Krebs cycle.
Nature, 568, 2019
7RM0
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BU of 7rm0 by Molmil
Antibody 2E10.E9 in complex with P. vivax CSP peptide ANGAGNQPGANGAGNQPG
Descriptor: 2E10.E9 Fab heavy chain, 2E10.E9 Fab light chain, peptide from Circumsporozoite protein variant VK247
Authors:Kucharska, I, Ivanochko, D, Julien, J.P.
Deposit date:2021-07-26
Release date:2022-01-26
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Structural basis of Plasmodium vivax inhibition by antibodies binding to the circumsporozoite protein repeats.
Elife, 11, 2022
8T7F
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BU of 8t7f by Molmil
Structure of the S1 variant of Fab F1
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, S1 variant of Fab F1 heavy chain, S1 variant of Fab F1 light chain, ...
Authors:Singer, A.U, Bruce, H.A, Enderle, L, Blazer, L, Adams, J.J, Sicheri, F, Sidhu, S.S.
Deposit date:2023-06-20
Release date:2023-11-22
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Engineered antigen-binding fragments for enhanced crystallization of antibody:antigen complexes.
Protein Sci., 33, 2024
6HZF
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BU of 6hzf by Molmil
BP0997, GH138 enzyme targeting pectin rhamnogalacturonan II
Descriptor: BPa0997, SERINE, SODIUM ION
Authors:Basle, A, Cartmell, A, Labourel, A, Gilbert, H.
Deposit date:2018-10-23
Release date:2019-03-20
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural and functional analyses of glycoside hydrolase 138 enzymes targeting chain A galacturonic acid in the complex pectin rhamnogalacturonan II.
J.Biol.Chem., 294, 2019
7RLW
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BU of 7rlw by Molmil
Antibody 2F2 in complex with P. vivax CSP peptide GDRAAGQPAGDRAAGQPA
Descriptor: 2F2 Fab heavy chain, 2F2 Fab light chain, PvCSPvk210 peptide from Circumsporozoite protein
Authors:Kucharska, I, Julien, J.P.
Deposit date:2021-07-26
Release date:2022-01-26
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Structural basis of Plasmodium vivax inhibition by antibodies binding to the circumsporozoite protein repeats.
Elife, 11, 2022
8TN2
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BU of 8tn2 by Molmil
Structure of S. hygroscopicus aminotransferase MppQ complexed with pyridoxal-5'-phosphate (PLP)
Descriptor: PLP-dependent aminotransferase MppQ
Authors:Silvaggi, N.R, Vuksanovic, N.
Deposit date:2023-08-01
Release date:2023-11-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural and Biochemical Characterization of MppQ, an L-Enduracididine Biosynthetic Enzyme from Streptomyces hygroscopicus.
Biochemistry, 62, 2023
7RM3
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BU of 7rm3 by Molmil
Antibody 2E10.E9 in complex with P. vivax CSP peptide ANGAGNQPGANGAGNQPGANGAGGQAA
Descriptor: 2E10.E9 Fab heavy chain, 2E10.E9 Fab light chain, ACETATE ION, ...
Authors:Kucharska, I, Ivanochko, D, Julien, J.P.
Deposit date:2021-07-26
Release date:2022-01-26
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Structural basis of Plasmodium vivax inhibition by antibodies binding to the circumsporozoite protein repeats.
Elife, 11, 2022

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數據於2024-11-06公開中

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