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7JYY
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BU of 7jyy by Molmil
Crystal Structure of SARS-CoV-2 Nsp16/10 Heterodimer in Complex with (m7GpppA)pUpUpApApA (Cap-0) and S-Adenosylmethionine (SAM).
Descriptor: 2'-O-methyltransferase, CHLORIDE ION, FORMIC ACID, ...
Authors:Minasov, G, Shuvalova, L, Rosas-Lemus, M, Kiryukhina, O, Brunzelle, J.S, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-09-01
Release date:2020-09-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Mn 2+ coordinates Cap-0-RNA to align substrates for efficient 2'- O -methyl transfer by SARS-CoV-2 nsp16.
Sci.Signal., 14, 2021
6BUP
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BU of 6bup by Molmil
Crystal structures of cyanuric acid hydrolase from Moorella thermoacetica complexed with cyanuric acid
Descriptor: 1,3,5-triazine-2,4,6-triol, 1,3-PROPANDIOL, CALCIUM ION, ...
Authors:Shi, K, Aihara, H.
Deposit date:2017-12-11
Release date:2019-06-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Crystal structures of Moorella thermoacetica cyanuric acid hydrolase reveal conformational flexibility and asymmetry important for catalysis.
Plos One, 14, 2019
2Q2U
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BU of 2q2u by Molmil
Structure of Chlorella virus DNA ligase-product DNA complex
Descriptor: 5'-D(*AP*TP*TP*GP*CP*GP*AP*CP*(OMC)P*CP*CP*AP*CP*TP*AP*TP*CP*GP*GP*AP*A)-3', 5'-D(*TP*TP*CP*CP*GP*AP*TP*AP*GP*TP*GP*GP*GP*GP*TP*CP*GP*CP*AP*AP*T)-3', Chlorella virus DNA ligase
Authors:Lima, C.D, Nandakumar, J, Nair, P.A, Smith, P, Shuman, S.
Deposit date:2007-05-29
Release date:2007-07-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis for nick recognition by a minimal pluripotent DNA ligase.
Nat.Struct.Mol.Biol., 14, 2007
6BL8
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BU of 6bl8 by Molmil
Predicting the Conformational Variability of Abl Tyrosine Kinase Using Molecular Dynamics Simulations and Markov State Models
Descriptor: PURVALANOL B, SULFATE ION, Tyrosine-protein kinase ABL1
Authors:Clawson, D.K, Gao, C.
Deposit date:2017-11-09
Release date:2018-03-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Predicting the Conformational Variability of Abl Tyrosine Kinase using Molecular Dynamics Simulations and Markov State Models.
J Chem Theory Comput, 14, 2018
6BN7
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BU of 6bn7 by Molmil
Crystal structure of DDB1-CRBN-BRD4(BD1) complex bound to dBET23 PROTAC.
Descriptor: Bromodomain-containing protein 4, DNA damage-binding protein 1, Protein cereblon, ...
Authors:Nowak, R.P, DeAngelo, S.L, Buckley, D, Bradner, J.E, Fischer, E.S.
Deposit date:2017-11-16
Release date:2018-05-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.501 Å)
Cite:Plasticity in binding confers selectivity in ligand-induced protein degradation.
Nat. Chem. Biol., 14, 2018
6BUO
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BU of 6buo by Molmil
Crystal structures of cyanuric acid hydrolase from Moorella thermoacetica
Descriptor: 1,3-PROPANDIOL, CALCIUM ION, Cyanuric acid amidohydrolase, ...
Authors:Shi, K, Aihara, H.
Deposit date:2017-12-11
Release date:2019-06-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structures of Moorella thermoacetica cyanuric acid hydrolase reveal conformational flexibility and asymmetry important for catalysis.
Plos One, 14, 2019
5NO7
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BU of 5no7 by Molmil
Crystal Structure of a Xylan-active Lytic Polysaccharide Monooxygenase from Pycnoporus coccineus.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Lytic polysaccharide monooxygenase, SULFATE ION, ...
Authors:Ladeveze, S, Couturier, M, Sulzenbacher, G, Berrin, J.-G.
Deposit date:2017-04-11
Release date:2018-01-17
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Lytic xylan oxidases from wood-decay fungi unlock biomass degradation.
Nat. Chem. Biol., 14, 2018
6BOY
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BU of 6boy by Molmil
Crystal structure of DDB1-CRBN-BRD4(BD1) complex bound to dBET6 PROTAC.
Descriptor: 2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-(8-{[({2-[(3S)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}oxy)acetyl]amino}octyl)acetamide, Bromodomain-containing protein 4, DNA damage-binding protein 1, ...
Authors:Nowak, R.P, DeAngelo, S.L, Buckley, D, Bradner, J.E, Fischer, E.S.
Deposit date:2017-11-21
Release date:2018-05-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.33 Å)
Cite:Plasticity in binding confers selectivity in ligand-induced protein degradation.
Nat. Chem. Biol., 14, 2018
6BPT
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BU of 6bpt by Molmil
Crystal structure of ferrous form of the uncrosslinked F2-Tyr157 human cysteine dioxygenase
Descriptor: Cysteine dioxygenase type 1, FE (II) ION, GLYCEROL, ...
Authors:Liu, A, Li, J, Shin, I.
Deposit date:2017-11-26
Release date:2018-07-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.402 Å)
Cite:Cleavage of a carbon-fluorine bond by an engineered cysteine dioxygenase.
Nat. Chem. Biol., 14, 2018
5NQ3
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BU of 5nq3 by Molmil
'Porcine (Sus scrofa) Major Histocompatibility Complex, class I, with human beta2 micro globulin, presenting EFEDLTFLA
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, GLU-PHE-GLU-ASP-LEU-THR-PHE-LEU-ALA, ...
Authors:Rizkallah, P.J, Tungatt, K, Sewell, A.K.
Deposit date:2017-04-19
Release date:2018-04-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Induction of influenza-specific local CD8 T-cells in the respiratory tract after aerosol delivery of vaccine antigen or virus in the Babraham inbred pig.
Plos Pathog., 14, 2018
5NQ0
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BU of 5nq0 by Molmil
Porcine (Sus scrofa) Major Histocompatibility Complex, class I, presenting DFEREGYSL
Descriptor: 1,2-ETHANEDIOL, ASP-PHE-GLU-ARG-GLU-GLY-TYR-SER-LEU, Beta-2-microglobulin, ...
Authors:Rizkallah, P.J, Tungatt, K, Sewell, A.K.
Deposit date:2017-04-19
Release date:2018-04-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Induction of influenza-specific local CD8 T-cells in the respiratory tract after aerosol delivery of vaccine antigen or virus in the Babraham inbred pig.
Plos Pathog., 14, 2018
6C4X
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BU of 6c4x by Molmil
Cross-alpha Amyloid-like Structure alphaAmmem
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ZINC ION, cross-alpha amyloid-like membrane peptide alpha-AmMEM
Authors:Liu, L, Zhang, S.Q.
Deposit date:2018-01-13
Release date:2018-08-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.55 Å)
Cite:Designed peptides that assemble into cross-alpha amyloid-like structures.
Nat. Chem. Biol., 14, 2018
8X0V
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BU of 8x0v by Molmil
Crystal structure of cupin-like fold protein StrC in complex with substrate analogue from Stachybotrys sp.g12
Descriptor: (5~{R})-2-(hydroxymethyl)-3-[(~{E})-non-3-enyl]-5-oxidanyl-cyclohex-2-en-1-one, Cupin conserved barrel domain protein
Authors:Wang, H, Wang, W.G.
Deposit date:2023-11-06
Release date:2024-09-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural and Computational Insights into the Noncanonical Aromatization in Fungal Polyketide Biosynthesis
Acs Catalysis, 14, 2024
8X0U
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BU of 8x0u by Molmil
Crystal structure of cupin-like fold protein StrC from Stachybotrys sp.g12
Descriptor: Cupin conserved barrel domain protein
Authors:Wang, H, Wang, W.G.
Deposit date:2023-11-06
Release date:2024-09-11
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural and Computational Insights into the Noncanonical Aromatization in Fungal Polyketide Biosynthesis
Acs Catalysis, 14, 2024
2QRI
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BU of 2qri by Molmil
Crystal structure of a single chain trimer composed of the MHC I heavy chain H-2Kb WT, beta-2microglobulin, and ovalbumin-derived peptide.
Descriptor: H-2 class I histocompatibility antigen K-B alpha chain, Beta-2 microglobulin, ovalbumin-derived peptide
Authors:Mitaksov, V.E, Fremont, D.H.
Deposit date:2007-07-28
Release date:2007-11-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural engineering of pMHC reagents for T cell vaccines and diagnostics.
Chem.Biol., 14, 2007
6BPW
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BU of 6bpw by Molmil
Crystal structure of ferrous form of the Cl2-Tyr157 human cysteine dioxygenase with both uncrosslinked and crosslinked cofactor
Descriptor: Cysteine dioxygenase type 1, FE (II) ION, GLYCEROL, ...
Authors:Liu, A, Li, J, Shin, I.
Deposit date:2017-11-26
Release date:2018-07-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Cleavage of a carbon-fluorine bond by an engineered cysteine dioxygenase.
Nat. Chem. Biol., 14, 2018
6BQE
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BU of 6bqe by Molmil
Low-resolution structure of cyclohexadienyl dehydratase from Pseudomonas aeruginosa in space group P4322.
Descriptor: ACETATE ION, Arogenate dehydratase
Authors:Clifton, B.E, Carr, P.D, Jackson, C.J.
Deposit date:2017-11-27
Release date:2017-12-13
Last modified:2018-05-30
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Evolution of cyclohexadienyl dehydratase from an ancestral solute-binding protein.
Nat. Chem. Biol., 14, 2018
6C4Z
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BU of 6c4z by Molmil
Cross-alpha Amyloid-like Structure alphaAmG - low resolution
Descriptor: Cross-alpha Amyloid-like Structure alphaAmG - low resolution
Authors:Liu, L, Zhang, S.Q.
Deposit date:2018-01-13
Release date:2018-08-15
Last modified:2019-12-18
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Designed peptides that assemble into cross-alpha amyloid-like structures.
Nat. Chem. Biol., 14, 2018
6BN8
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BU of 6bn8 by Molmil
Crystal structure of DDB1-CRBN-BRD4(BD1) complex bound to dBET55 PROTAC.
Descriptor: Bromodomain-containing protein 4, DNA damage-binding protein 1,DNA damage-binding protein 1, Protein cereblon, ...
Authors:Nowak, R.P, DeAngelo, S.L, Buckley, D, Bradner, J.E, Fischer, E.S.
Deposit date:2017-11-16
Release date:2018-06-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.990035 Å)
Cite:Plasticity in binding confers selectivity in ligand-induced protein degradation.
Nat. Chem. Biol., 14, 2018
5O9S
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BU of 5o9s by Molmil
HsNMT1 in complex with CoA and Myristoylated-GKSNSKLK octapeptide
Descriptor: CHLORIDE ION, GLYCEROL, Glycylpeptide N-tetradecanoyltransferase 1, ...
Authors:Dian, C, Meinnel, T, Giglione, C.
Deposit date:2017-06-20
Release date:2018-06-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural and genomic decoding of human and plant myristoylomes reveals a definitive recognition pattern.
Nat. Chem. Biol., 14, 2018
6BPS
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BU of 6bps by Molmil
Crystal structure of cysteine-bound ferrous form of the uncrosslinked F2-Tyr157 human cysteine dioxygenase
Descriptor: CYSTEINE, Cysteine dioxygenase type 1, FE (II) ION, ...
Authors:Liu, A, Li, J, Shin, I.
Deposit date:2017-11-26
Release date:2018-07-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Cleavage of a carbon-fluorine bond by an engineered cysteine dioxygenase.
Nat. Chem. Biol., 14, 2018
6BPV
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BU of 6bpv by Molmil
Crystal structure of cysteine-bound ferrous form of the matured F2-Tyr157 human cysteine dioxygenase
Descriptor: CYSTEINE, Cysteine dioxygenase type 1, FE (II) ION, ...
Authors:Liu, A, Li, J, Shin, I.
Deposit date:2017-11-26
Release date:2018-07-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Cleavage of a carbon-fluorine bond by an engineered cysteine dioxygenase.
Nat. Chem. Biol., 14, 2018
5NVG
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BU of 5nvg by Molmil
Thr12 Phosphorylated Ubiquitin
Descriptor: DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, Polyubiquitin-B
Authors:Huguenin-Dezot, N.
Deposit date:2017-05-04
Release date:2017-05-31
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Biosynthesis and genetic encoding of phosphothreonine through parallel selection and deep sequencing.
Nat. Methods, 14, 2017
2QRT
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BU of 2qrt by Molmil
Crystal Structure of a disulfide trapped single chain trimer composed of the MHC I heavy chain H-2Kb Y84C, beta-2microglobulin, and ovalbumin-derived peptide.
Descriptor: H-2 class I histocompatibility antigen K-B alpha chain, Beta-2 microglobulin, ovalbumin-derived peptide
Authors:Mitaksov, V.E, Fremont, D.H.
Deposit date:2007-07-29
Release date:2007-11-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural engineering of pMHC reagents for T cell vaccines and diagnostics.
Chem.Biol., 14, 2007
3IBF
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BU of 3ibf by Molmil
Crystal structure of unliganded caspase-7
Descriptor: Caspase-7
Authors:Agniswamy, J.
Deposit date:2009-07-15
Release date:2009-09-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Conformational similarity in the activation of caspase-3 and -7 revealed by the unliganded and inhibited structures of caspase-7.
Apoptosis, 14, 2009

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