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8EDF
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BU of 8edf by Molmil
Bovine Fab SKD in complex with Sars COV-2 receptor binding domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, SKD Fab Light chain, SKD Fab heavy chain, ...
Authors:Stanfield, R.L, Wilson, I.A.
Deposit date:2022-09-04
Release date:2023-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:The smallest functional antibody fragment: Ultralong CDR H3 antibody knob regions potently neutralize SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
8ED1
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BU of 8ed1 by Molmil
Bovine Fab 5C1
Descriptor: 5C1 Fab heavy chain, 5C1 Fab light chain, GLYCEROL, ...
Authors:Stanfield, R.L, Wilson, I.A.
Deposit date:2022-09-02
Release date:2023-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:The smallest functional antibody fragment: Ultralong CDR H3 antibody knob regions potently neutralize SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
8ECZ
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BU of 8ecz by Molmil
Bovine Fab 4C1
Descriptor: 4C1 Fab heavy chain, 4C1 Fab light chain, PHOSPHATE ION
Authors:Stanfield, R.L, Wilson, I.A.
Deposit date:2022-09-02
Release date:2023-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:The smallest functional antibody fragment: Ultralong CDR H3 antibody knob regions potently neutralize SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
8ECX
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BU of 8ecx by Molmil
PA0709 with glyoxal and BME modifications
Descriptor: ACETATE ION, Antibiotic biosynthesis monooxygenase, GLYCEROL
Authors:Cuthbert, B.J, Goulding, C.W.
Deposit date:2022-09-02
Release date:2023-09-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Structural characterization of PA0709
To Be Published
8ECV
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BU of 8ecv by Molmil
Bovine Fab 2F12
Descriptor: 2F12 Fab Heavy chain, 2F12 Fab Light chain
Authors:Stanfield, R.L, Wilson, I.A.
Deposit date:2022-09-02
Release date:2023-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:The smallest functional antibody fragment: Ultralong CDR H3 antibody knob regions potently neutralize SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
8ECQ
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BU of 8ecq by Molmil
Bovine Fab 2G3
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2G3 Fab Heavy chain, 2G3 Fab Light chain, ...
Authors:Stanfield, R.L, Wilson, I.A.
Deposit date:2022-09-02
Release date:2023-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:The smallest functional antibody fragment: Ultralong CDR H3 antibody knob regions potently neutralize SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
8ECP
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BU of 8ecp by Molmil
R16A PA0709 with BME modifications
Descriptor: ACETATE ION, Antibiotic biosynthesis monooxygenase, GLYCEROL, ...
Authors:Cuthbert, B.J, Goulding, C.W, Ulijasz, A.
Deposit date:2022-09-02
Release date:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural characterization of PA0709
To Be Published
8EBF
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BU of 8ebf by Molmil
C-terminal (TPR) domain of LIC11990 from Leptospira interrogans
Descriptor: ACETATE ION, Cytoplasmic membrane protein, GLYCEROL
Authors:Larrieux, N, Buschiazzo, A.
Deposit date:2022-08-31
Release date:2022-09-21
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure and function of a novel membrane-associated protein from Leptospira interrogans (gene LIC11990)
To Be Published
8E9F
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BU of 8e9f by Molmil
WD repeat-containing protein 5 complexed with 4-(7-((1H-imidazol-1-yl)methyl)-5-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)-1-oxo-3,4-dihydroisoquinolin-2(1H)-yl)-6-ethyl-N-methylquinoline-8-carboxamide (compound 10)
Descriptor: 6-ethyl-4-[(5P)-7-[(1H-imidazol-1-yl)methyl]-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1-oxo-3,4-dihydroisoquinolin-2(1H)-yl]-N-methylquinoline-8-carboxamide, BENZAMIDINE, WD repeat-containing protein 5
Authors:Rietz, T.A, Fesik, S.W.
Deposit date:2022-08-26
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure-based discovery of potent WD repeat domain 5 inhibitors that demonstrate efficacy and safety in preclinical animal models.
Proc.Natl.Acad.Sci.USA, 120, 2023
8E11
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BU of 8e11 by Molmil
Structure of mouse DNA polymerase Beta (PolB) mutant
Descriptor: ACETATE ION, DNA polymerase beta, MALONIC ACID
Authors:Sharma, N, Thompson, M.K, Prakash, A.
Deposit date:2022-08-09
Release date:2023-02-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Pol beta /XRCC1 heterodimerization dictates DNA damage recognition and basal Pol beta protein levels without interfering with mouse viability or fertility.
DNA Repair (Amst), 123, 2023
8E0Y
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BU of 8e0y by Molmil
DAHP (3-deoxy-D-arabinoheptulosonate-7-phosphate) Synthase complexed with DAHP oxime, Pr(III), and Pi in unbound:(bound)2:other Conformations
Descriptor: ACETATE ION, CITRATE ANION, DAHP Oxime, ...
Authors:Berti, P.J, Junop, M.S, Grainger, R.
Deposit date:2022-08-09
Release date:2022-10-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Role of Half-of-Sites Reactivity and Inter-Subunit Communications in DAHP Synthase Catalysis and Regulation.
Biochemistry, 61, 2022
8E08
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BU of 8e08 by Molmil
Crystal structure of HPSE P6 in complex with tetraose pentosan inhibitor
Descriptor: 2,3,4-tri-O-sulfo-beta-D-xylopyranose-(1-4)-2,3-di-O-sulfo-beta-D-xylopyranose-(1-4)-2,3-di-O-sulfo-beta-D-xylopyranose-(1-4)-2,3-di-O-sulfo-beta-D-xylopyranose, ACETATE ION, Heparanase 50 kDa subunit, ...
Authors:Whitefield, C, Jackson, C.J.
Deposit date:2022-08-08
Release date:2023-07-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Complex Inhibitory Mechanism of Glycomimetics with Heparanase.
Biochemistry, 62, 2023
8E07
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BU of 8e07 by Molmil
Crystal structure of HPSE P6 in complex with triose pentosan inhibitor
Descriptor: 2,3,4-tri-O-sulfo-beta-D-xylopyranose-(1-4)-2,3-di-O-sulfo-beta-D-xylopyranose-(1-4)-2,3-di-O-sulfo-beta-D-xylopyranose, ACETATE ION, AMMONIUM ION, ...
Authors:Whitefield, C, Jackson, C.J.
Deposit date:2022-08-08
Release date:2023-07-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Complex Inhibitory Mechanism of Glycomimetics with Heparanase.
Biochemistry, 62, 2023
8DZD
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BU of 8dzd by Molmil
Structure of MS3494 from Mycobacterium smegmatis bound to sucrose
Descriptor: ACETATE ION, MS3494, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose
Authors:Kent, J.E, Aleshin, A.E, Marassi, F.M.
Deposit date:2022-08-06
Release date:2023-08-09
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:Structure of MS3494 from Mycobacterium smegmatis bound to sucrose
To Be Published
8DYO
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BU of 8dyo by Molmil
Cryo-EM structure of Importin-4 bound to RanGTP
Descriptor: GTP-binding nuclear protein GSP1/CNR1, GUANOSINE-5'-TRIPHOSPHATE, Importin-4, ...
Authors:Bernardes, N.E, Fung, H.Y.J, Li, Y, Chen, Z, Chook, Y.M.
Deposit date:2022-08-04
Release date:2022-09-21
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (7.1 Å)
Cite:Structure of IMPORTIN-4 bound to the H3-H4-ASF1 histone-histone chaperone complex.
Proc.Natl.Acad.Sci.USA, 119, 2022
8DXL
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BU of 8dxl by Molmil
HIV-1 reverse transcriptase/rilpivirine with bound fragment 4-iodopyrazole at multiple sites
Descriptor: 1,2-ETHANEDIOL, 4-IODOPYRAZOLE, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, ...
Authors:Chopra, A, Ruiz, F.X, Bauman, J.D, Arnold, E.
Deposit date:2022-08-02
Release date:2023-05-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Halo Library, a Tool for Rapid Identification of Ligand Binding Sites on Proteins Using Crystallographic Fragment Screening.
J.Med.Chem., 66, 2023
8DXK
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BU of 8dxk by Molmil
HIV-1 reverse transcriptase/rilpivirine with bound fragment 4-bromopyrazole at multiple sites
Descriptor: 1,2-ETHANEDIOL, 4-bromo-1H-pyrazole, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, ...
Authors:Chopra, A, Ruiz, F.X, Bauman, J.D, Arnold, E.
Deposit date:2022-08-02
Release date:2023-05-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Halo Library, a Tool for Rapid Identification of Ligand Binding Sites on Proteins Using Crystallographic Fragment Screening.
J.Med.Chem., 66, 2023
8DWQ
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BU of 8dwq by Molmil
Solution Structure of the H3 protein
Descriptor: H3 Protein
Authors:Kelly, M.J.
Deposit date:2022-08-01
Release date:2023-08-09
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution Structure of the H3 protein
To Be Published
8DWD
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BU of 8dwd by Molmil
Adenine glycosylase MutY variant E43S in complex with DNA containing d(8-oxo-G) paired with an AP site generated by the enzyme acting on purine
Descriptor: ACETATE ION, Adenine DNA glycosylase, CALCIUM ION, ...
Authors:Russelburg, L.P, Demir, M, David, S.S, Horvath, M.P.
Deposit date:2022-08-01
Release date:2023-08-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structural Basis for Base Engagement and Stereochemistry Revealed by Alteration of Catalytic Residue Glu43 in DNA Repair Glycosylase MutY
To Be Published
8DW4
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BU of 8dw4 by Molmil
Glycosylase MutY variant N146S in complex with DNA containing d(8-oxo-G) paired with an abasic site product (AP) generated by the enzyme in crystals by removal of calcium
Descriptor: ACETATE ION, Adenine DNA glycosylase, DNA (5'-D(*AP*AP*GP*AP*CP*(8OG)P*TP*GP*GP*AP*C)-3'), ...
Authors:Demir, M, Russelburg, L.P, Horvath, M.P, David, S.S.
Deposit date:2022-07-31
Release date:2022-11-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Structural snapshots of base excision by the cancer-associated variant MutY N146S reveal a retaining mechanism.
Nucleic Acids Res., 51, 2023
8DVY
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BU of 8dvy by Molmil
DNA glycosylase MutY variant N146S in complex with DNA containing d(8-oxo-G) paired with an enzyme-generated abasic site product (AP) and crystalized with calcium acetate
Descriptor: ACETATE ION, Adenine DNA glycosylase, CALCIUM ION, ...
Authors:Demir, M, Russelburg, L.P, Horvath, M.P, David, S.S.
Deposit date:2022-07-30
Release date:2022-11-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Structural snapshots of base excision by the cancer-associated variant MutY N146S reveal a retaining mechanism.
Nucleic Acids Res., 51, 2023
8DVP
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BU of 8dvp by Molmil
Glycosylase MutY variant N146S in complex with DNA containing d(8-oxo-G) paired with substrate purine
Descriptor: ACETATE ION, Adenine DNA glycosylase, CALCIUM ION, ...
Authors:Demir, M, Russelburg, L.P, Horvath, M.P, David, S.S.
Deposit date:2022-07-29
Release date:2022-11-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Structural snapshots of base excision by the cancer-associated variant MutY N146S reveal a retaining mechanism.
Nucleic Acids Res., 51, 2023
8DUZ
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BU of 8duz by Molmil
Protective antibody against gonococcal lipooligosaccharide bound to peptide mimetic
Descriptor: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Beernink, P.T, Beernink, B.P, Rice, P.A, Ram, S.
Deposit date:2022-07-27
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Protective antibody against gonococcal lipooligosaccharide bound to peptide mimetic
to be published
8DU4
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BU of 8du4 by Molmil
Complex between RbBP5-WDR5 and an H2B-ubiquitinated nucleosome
Descriptor: 601 DNA (146-MER), Histone H2A, Histone H2B 1.1, ...
Authors:Niklas, H.A, Rahman, S, Worden, E.J, Wolberger, C.
Deposit date:2022-07-26
Release date:2022-09-21
Last modified:2022-10-05
Method:ELECTRON MICROSCOPY (3.55 Å)
Cite:Multistate structures of the MLL1-WRAD complex bound to H2B-ubiquitinated nucleosome.
Proc.Natl.Acad.Sci.USA, 119, 2022
8DTD
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BU of 8dtd by Molmil
Crystal Structure of FosB from Bacillus cereus with Zinc and Phosphonoformate
Descriptor: Metallothiol transferase FosB, PHOSPHONOFORMIC ACID, ZINC ION
Authors:Travis, S, Gilbert, N.C, Thompson, M.K.
Deposit date:2022-07-25
Release date:2023-08-02
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Inhibition of FosB by PPF
To Be Published

221051

PDB entries from 2024-06-12

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