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4FYU
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BU of 4fyu by Molmil
Crystal structure of Thioredoxin from Wuchereria bancrofti at 2.0 Angstrom
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Thioredoxin
Authors:Yousef, N, Prabhu, P, Ahmed, A, Iqbal, S, Betzel, C.
Deposit date:2012-07-05
Release date:2013-08-07
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of Thioredoxin from Wuchereria bancrofti at 2.0 Angstrom
TO BE PUBLISHED
8ROY
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BU of 8roy by Molmil
Structure of the human DDB1-DDA1-DCAF15 E3 ubiquitin ligase bound to compound furan 24
Descriptor: 1-[5-[[3,4-bis(chloranyl)-1~{H}-indol-7-yl]sulfamoyl]-3-methyl-furan-2-yl]carbonyl-~{N}-methyl-piperidine-4-carboxamide, DDB1- and CUL4-associated factor 15, DET1- and DDB1-associated protein 1, ...
Authors:Shilliday, F, Lucas, S.C.C, Richter, M, Michaelides, I.N, Fusani, L.
Deposit date:2024-01-12
Release date:2024-04-03
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Optimization of Potent Ligands for the E3 Ligase DCAF15 and Evaluation of Their Use in Heterobifunctional Degraders.
J.Med.Chem., 67, 2024
8ROX
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BU of 8rox by Molmil
Structure of the human DDB1-DDA1-DCAF15 E3 ubiquitin ligase bound to compound furan 12
Descriptor: 5-[[3,4-bis(chloranyl)-1~{H}-indol-7-yl]sulfamoyl]-~{N},~{N},3-trimethyl-furan-2-carboxamide;ethane, DDB1- and CUL4-associated factor 15, DET1- and DDB1-associated protein 1, ...
Authors:Shilliday, F, Lucas, S.C.C, Richter, M, Michaelides, I.N, Fusani, L.
Deposit date:2024-01-12
Release date:2024-04-03
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Optimization of Potent Ligands for the E3 Ligase DCAF15 and Evaluation of Their Use in Heterobifunctional Degraders.
J.Med.Chem., 67, 2024
6UTB
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BU of 6utb by Molmil
CRYSTAL STRUCTURE OF UNLIGANDED HIV-1 LM/HT CLADE A/E CRF01 GP120 CORE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HIV-1 LM/HT Clade A/E CRF01 gp120 core
Authors:Tolbert, W.D, Sherburn, R, Pazgier, M.
Deposit date:2019-10-29
Release date:2020-10-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The HIV-1 Env gp120 Inner Domain Shapes the Phe43 Cavity and the CD4 Binding Site.
Mbio, 11, 2020
6USW
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BU of 6usw by Molmil
CRYSTAL STRUCTURE OF HIV-1 LM/HS CLADE A/E CRF01 GP120 CORE IN COMPLEX WITH (S)-MCG-IV-210
Descriptor: (3S)-N~1~-(2-aminoethyl)-N~3~-(4-chloro-3-fluorophenyl)piperidine-1,3-dicarboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Tolbert, W.D, Sherburn, R, Pazgier, M.
Deposit date:2019-10-28
Release date:2020-10-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The HIV-1 Env gp120 Inner Domain Shapes the Phe43 Cavity and the CD4 Binding Site.
Mbio, 11, 2020
6UT1
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BU of 6ut1 by Molmil
CRYSTAL STRUCTURE OF HIV-1 LM/HS CLADE A/E CRF01 GP120 CORE IN COMPLEX WITH BNM-III-170
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HIV-1 LM/HS clade A/E CRF01 gp120 core, ...
Authors:Tolbert, W.D, Sherburn, R, Pazgier, M.
Deposit date:2019-10-29
Release date:2020-10-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:The HIV-1 Env gp120 Inner Domain Shapes the Phe43 Cavity and the CD4 Binding Site.
Mbio, 11, 2020
6UTD
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BU of 6utd by Molmil
CRYSTAL STRUCTURE OF UNLIGANDED HIV-1 LM/HS CLADE A/E CRF01 GP120 CORE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HIV-1 LM/HS clade A/E CRF01 gp120 core
Authors:Tolbert, W.D, Sherburn, R, Pazgier, M.
Deposit date:2019-10-29
Release date:2020-10-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The HIV-1 Env gp120 Inner Domain Shapes the Phe43 Cavity and the CD4 Binding Site.
Mbio, 11, 2020
7N4J
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BU of 7n4j by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing human antibody WRAIR-2173.
Descriptor: Spike protein S1, WRAIR-2173 antibody Fab heavy chain, WRAIR-2173 antibody Fab light chain, ...
Authors:Sankhala, R.S, Joyce, M.G.
Deposit date:2021-06-04
Release date:2021-10-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.207 Å)
Cite:Low-dose in vivo protection and neutralization across SARS-CoV-2 variants by monoclonal antibody combinations.
Nat.Immunol., 22, 2021
7N4I
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BU of 7n4i by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing human antibody WRAIR-2057.
Descriptor: GLYCEROL, Spike protein S1, WRAIR-2057 Antibody Fab Heavy Chain, ...
Authors:Sankhala, R.S, Joyce, M.G.
Deposit date:2021-06-04
Release date:2021-10-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.284 Å)
Cite:Low-dose in vivo protection and neutralization across SARS-CoV-2 variants by monoclonal antibody combinations.
Nat.Immunol., 22, 2021
7N4L
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BU of 7n4l by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing human antibody WRAIR-2125.
Descriptor: Spike protein S1, WRAIR-2125 antibody Fab heavy chain, WRAIR-2125 antibody Fab light chain
Authors:Sankhala, R.S, Joyce, M.G.
Deposit date:2021-06-04
Release date:2021-11-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.601 Å)
Cite:Low-dose in vivo protection and neutralization across SARS-CoV-2 variants by monoclonal antibody combinations.
Nat.Immunol., 22, 2021
7N4M
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BU of 7n4m by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing human antibody WRAIR-2151.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, WRAIR-2151 antibody Fab heavy chain, ...
Authors:Sankhala, R.S, Joyce, M.G.
Deposit date:2021-06-04
Release date:2021-11-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.79 Å)
Cite:Low-dose in vivo protection and neutralization across SARS-CoV-2 variants by monoclonal antibody combinations.
Nat.Immunol., 22, 2021
1SPD
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BU of 1spd by Molmil
AMYOTROPHIC LATERAL SCLEROSIS AND STRUCTURAL DEFECTS IN CU,ZN SUPEROXIDE DISMUTASE
Descriptor: COPPER (II) ION, SUPEROXIDE DISMUTASE, ZINC ION
Authors:Parge, H.E, Tainer, J.A.
Deposit date:1993-07-21
Release date:1994-04-30
Last modified:2019-08-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Amyotrophic lateral sclerosis and structural defects in Cu,Zn superoxide dismutase.
Science, 261, 1993
6XG4
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BU of 6xg4 by Molmil
X-ray structure of Escherichia coli dihydrofolate reductase L28R mutant in complex with trimethoprim
Descriptor: CHLORIDE ION, Dihydrofolate reductase, GLYCEROL, ...
Authors:Gaszek, I.K, Manna, M.S, Borek, D, Toprak, E.
Deposit date:2020-06-16
Release date:2021-03-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A trimethoprim derivative impedes antibiotic resistance evolution.
Nat Commun, 12, 2021
6XG5
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BU of 6xg5 by Molmil
X-ray structure of Escherichia coli dihydrofolate reductase in complex with trimethoprim
Descriptor: CHLORIDE ION, Dihydrofolate reductase, GLYCEROL, ...
Authors:Gaszek, I.K, Manna, M.S, Borek, D, Toprak, E.
Deposit date:2020-06-16
Release date:2021-03-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A trimethoprim derivative impedes antibiotic resistance evolution.
Nat Commun, 12, 2021
4RQB
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BU of 4rqb by Molmil
Crystal Structure of a Hypoxanthine Phosphoribosyltransferase (target ID NYSGRC-029686) from Staphylococcus aureus (tetragonal space group)
Descriptor: CHLORIDE ION, GLYCEROL, Hypoxanthine phosphoribosyltransferase, ...
Authors:Ghosh, A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2014-10-31
Release date:2014-11-26
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal Structure of a Hypoxanthine Phosphoribosyltransferase (target ID NYSGRC-029686) from Staphylococcus aureus (tetragonal space group)
To be Published
4RQA
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BU of 4rqa by Molmil
Crystal Structure of a Hypoxanthine Phosphoribosyltransferase (target ID NYSGRC-029686) from Staphylococcus aureus (orthorhombic space group)
Descriptor: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Ghosh, A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2014-10-31
Release date:2014-11-26
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Crystal Structure of a Hypoxanthine Phosphoribosyltransferase (target ID NYSGRC-029686) from Staphylococcus aureus (orthorhombic space group)
To be Published
4HPS
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BU of 4hps by Molmil
Crystal Structure of a Pyrrolidone-carboxylate peptidase 1 (target ID NYSGRC-012831) from Xenorhabdus bovienii SS-2004 in space group P21
Descriptor: CHLORIDE ION, Pyrrolidone-carboxylate peptidase
Authors:Ghosh, A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2012-10-24
Release date:2012-11-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal Structure of a Pyrrolidone-carboxylate peptidase 1 (target ID NYSGRC-012831) from Xenorhabdus bovienii SS-2004 in space group P21
To be Published
4HKM
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BU of 4hkm by Molmil
Crystal Structure of an Anthranilate Phosphoribosyltransferase (target ID NYSGRC-016600) from Xanthomonas campestris
Descriptor: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Anthranilate phosphoribosyltransferase, GLYCEROL, ...
Authors:Ghosh, A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2012-10-15
Release date:2012-10-31
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.953 Å)
Cite:Crystal Structure of an Anthranilate Phosphoribosyltransferase (target ID NYSGRC-016600) from Xanthomonas campestris
To be Published
4E52
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BU of 4e52 by Molmil
Crystal structure of Haemophilus Eagan 4A polysaccharide bound human lung surfactant protein D
Descriptor: 4,7-anhydro-3-deoxy-D-manno-oct-2-ulosonic acid-(5-1)-L-glycero-alpha-D-manno-heptopyranose, CALCIUM ION, Pulmonary surfactant-associated protein D
Authors:Shrive, A.K, Greenhough, T.J.
Deposit date:2012-03-13
Release date:2013-03-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of a Complex of Surfactant Protein D (SP-D) and Haemophilus influenzae Lipopolysaccharide Reveals Shielding of Core Structures in SP-D-Resistant Strains.
Infect.Immun., 84, 2016
5BVB
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BU of 5bvb by Molmil
Engineered Digoxigenin binder DIG5.1a
Descriptor: DIG5.1a, DIGOXIGENIN
Authors:Doyle, L.A, Stoddard, B.L.
Deposit date:2015-06-04
Release date:2015-10-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:CSAR Benchmark Exercise 2013: Evaluation of Results from a Combined Computational Protein Design, Docking, and Scoring/Ranking Challenge.
J.Chem.Inf.Model., 56, 2016
5OXS
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BU of 5oxs by Molmil
Crystal structure of human lung surfactant protein D trimeric fragment with bound ligand Salmonella enterica Minnesota R5 oligosaccharide
Descriptor: CALCIUM ION, Pulmonary surfactant-associated protein D, alpha-D-glucopyranose-(1-3)-L-glycero-alpha-D-manno-heptopyranose-(1-3)-L-glycero-alpha-D-manno-heptopyranose-(1-5)-4,7-anhydro-3-deoxy-D-gluco-oct-2-ulosonic acid
Authors:Shrive, A.K, Greenhough, T.J.
Deposit date:2017-09-07
Release date:2018-06-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural definition of hSP-D recognition of Salmonella enterica LPS inner core oligosaccharides reveals alternative binding modes for the same LPS.
PLoS ONE, 13, 2018
5OXR
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BU of 5oxr by Molmil
Crystal structure of human lung surfactant protein D trimeric fragment with bound ligand Salmonella enterica Minnesota R7 oligosaccharide
Descriptor: CALCIUM ION, L-glycero-alpha-D-manno-heptopyranose-(1-3)-L-glycero-alpha-D-manno-heptopyranose-(1-5)-4,7-anhydro-3-deoxy-D-gluco-oct-2-ulosonic acid, Pulmonary surfactant-associated protein D
Authors:Shrive, A.K, Greenhough, T.J.
Deposit date:2017-09-07
Release date:2018-06-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural definition of hSP-D recognition of Salmonella enterica LPS inner core oligosaccharides reveals alternative binding modes for the same LPS.
PLoS ONE, 13, 2018

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