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7KVR
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BU of 7kvr by Molmil
SARS-CoV-2 Main protease immature form - FMAX Library E09 fragment
Descriptor: 3C-like proteinase, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:Noske, G.D, Nakamura, A.M, Gawriljuk, V.O, Lima, G.M.A, Zeri, A.C.M, Nascimento, A.F.Z, Fernandes, R.S, Oliva, G, Godoy, A.S.
Deposit date:2020-11-28
Release date:2020-12-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:A Crystallographic Snapshot of SARS-CoV-2 Main Protease Maturation Process.
J.Mol.Biol., 433, 2021
7KXD
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BU of 7kxd by Molmil
CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(678-692)) IN COMPLEX WITH {3,5-DICHLORO-4-[4-METHOXY-3-(PROPAN-2-YL)PHENOXY]PHENYL}METHANOL
Descriptor: Nuclear receptor ROR-gamma, Nuclear receptor coactivator 1 peptide chimera, {3,5-dichloro-4-[4-methoxy-3-(propan-2-yl)phenoxy]phenyl}methanol
Authors:Sack, J.
Deposit date:2020-12-03
Release date:2021-01-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.624 Å)
Cite:Substituted diaryl ether compounds as retinoic acid-related orphan Receptor-gamma t (ROR gamma t) agonists.
Bioorg.Med.Chem.Lett., 35, 2021
7L66
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BU of 7l66 by Molmil
C-type carbohydrate-recognition domain 4 of the mannose receptor complexed with Methyl-GlcNAc
Descriptor: CALCIUM ION, Macrophage mannose receptor 1, methyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside
Authors:Weis, W.I, Feinberg, H.
Deposit date:2020-12-23
Release date:2021-02-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural analysis of carbohydrate binding by the macrophage mannose receptor CD206.
J.Biol.Chem., 296, 2021
7KEG
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BU of 7keg by Molmil
Crystal structure from SARS-COV2 NendoU NSP15
Descriptor: PHOSPHATE ION, Uridylate-specific endoribonuclease
Authors:Godoy, A.S, Nakamura, A.M, Pereira, H.M, Noske, G.D, Gawriljuk, V.O, Fernandes, R.S, Oliveira, K.I.Z, Oliva, G.
Deposit date:2020-10-10
Release date:2020-12-02
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 2023
7KFI
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BU of 7kfi by Molmil
SARS-CoV-2 Main protease immature form - apo structure
Descriptor: 3C-like proteinase, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE
Authors:Noske, G.D, Nakamura, A.M, Gawriljuk, V.O, Lima, G.M.A, Zeri, A.C.M, Nascimento, A.F.Z, Oliva, G, Godoy, A.S.
Deposit date:2020-10-14
Release date:2020-10-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A Crystallographic Snapshot of SARS-CoV-2 Main Protease Maturation Process.
J.Mol.Biol., 433, 2021
7L3Y
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BU of 7l3y by Molmil
Crystal structure of oxy-I107E CuB myoglobin (I107E L29H F43H sperm whale myoglobin; partial occupancy)
Descriptor: CHLORIDE ION, Myoglobin, PEROXIDE ION, ...
Authors:Petrik, I, Lu, Y.
Deposit date:2020-12-18
Release date:2021-02-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:An Engineered Glutamate in Biosynthetic Models of Heme-Copper Oxidases Drives Complete Product Selectivity by Tuning the Hydrogen-Bonding Network.
Biochemistry, 60, 2021
7L62
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BU of 7l62 by Molmil
C-type carbohydrate-recognition domain 4 of the mannose receptor complexed with L-fucose-(alpha 1-2)-D-galactose-(beta1-4)-D-glucose
Descriptor: CALCIUM ION, Macrophage mannose receptor 1, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Weis, W.I, Feinberg, H.
Deposit date:2020-12-23
Release date:2021-02-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural analysis of carbohydrate binding by the macrophage mannose receptor CD206.
J.Biol.Chem., 296, 2021
7KX2
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BU of 7kx2 by Molmil
Spermidine N-acetyltransferase SpeG F149A mutant from Vibrio cholerae
Descriptor: Spermidine N(1)-acetyltransferase
Authors:Le, V.T.B, Tsimbalyuk, S, Lim, E.Q, Solis, A, Gawat, D, Boeck, P, Renolo, R, Forwood, J.K, Kuhn, M.L.
Deposit date:2020-12-03
Release date:2020-12-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The Vibrio cholerae SpeG Spermidine/Spermine N -Acetyltransferase Allosteric Loop and beta 6-beta 7 Structural Elements Are Critical for Kinetic Activity.
Front Mol Biosci, 8, 2021
7KEM
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BU of 7kem by Molmil
Crystallographic structure of L,D-transpeptidase 2 from Mycobacterium tuberculosis
Descriptor: 6-CARBOXYLYSINE, D-GLUTAMIC ACID, Di-mu-iodobis(ethylenediamine)diplatinum(II), ...
Authors:Libreros, G.A, Dias, M.V.B.
Deposit date:2020-10-11
Release date:2020-11-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Crystallographic structure of L,D-transpeptidase 2 from Mycobacterium tuberculosis.
To Be Published
7KJE
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BU of 7kje by Molmil
F96S epi-isozizaene synthase: complex with 3 Mg2+ and neridronate
Descriptor: (6-azanyl-1-oxidanyl-1-phosphono-hexyl)phosphonic acid, MAGNESIUM ION, SULFATE ION, ...
Authors:Ronnebaum, T.A, Gardner, S, Christianson, D.W.
Deposit date:2020-10-26
Release date:2020-12-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:An Aromatic Cluster in the Active Site of epi -Isozizaene Synthase Is an Electrostatic Toggle for Divergent Terpene Cyclization Pathways.
Biochemistry, 59, 2020
7KJT
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BU of 7kjt by Molmil
KEOPS tRNA modifying sub-complex of archaeal Cgi121 and tRNA
Descriptor: RNA (70-MER), Regulatory protein Cgi121
Authors:Ceccarelli, D.F, Beenstock, J, Mao, D.Y.L, Sicheri, F.
Deposit date:2020-10-26
Release date:2020-12-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.34 Å)
Cite:A substrate binding model for the KEOPS tRNA modifying complex.
Nat Commun, 11, 2020
7KJB
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BU of 7kjb by Molmil
Crystal structure of the EphA2 S897E/S901E mutant intracellular KD-SAM domains
Descriptor: CESIUM ION, Ephrin type-A receptor 2
Authors:Lechtenberg, B.C, Pasquale, E.B.
Deposit date:2020-10-26
Release date:2021-02-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Regulation of the EphA2 receptor intracellular region by phosphomimetic negative charges in the kinase-SAM linker.
Nat Commun, 12, 2021
7KKN
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BU of 7kkn by Molmil
Structure of the catalytic domain of tankyrase 1 in complex with talazoparib
Descriptor: (8S,9R)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-2,7,8,9-tetrahydro-3H-pyrido[4,3,2-de]phthalazin-3-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Poly [ADP-ribose] polymerase, ...
Authors:Gajiwala, K.S, Ryan, K.
Deposit date:2020-10-27
Release date:2021-01-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Dissecting the molecular determinants of clinical PARP1 inhibitor selectivity for tankyrase1.
J.Biol.Chem., 296, 2021
7KUH
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BU of 7kuh by Molmil
MicroED structure of mVDAC
Descriptor: Voltage-dependent anion-selective channel protein 1
Authors:Martynowycz, M.W, Khan, F, Hattne, J, Abramson, J, Gonen, T.
Deposit date:2020-11-25
Release date:2020-12-23
Last modified:2024-03-06
Method:ELECTRON CRYSTALLOGRAPHY (3.12 Å)
Cite:MicroED structure of lipid-embedded mammalian mitochondrial voltage-dependent anion channel.
Proc.Natl.Acad.Sci.USA, 117, 2020
7KUT
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BU of 7kut by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 H137A Mutant in Complex with N-Acetylputrescine (Tetrahedral Intermediate)
Descriptor: 1,2-ETHANEDIOL, 1-[(4-aminobutyl)amino]ethane-1,1-diol, DI(HYDROXYETHYL)ETHER, ...
Authors:Herbst-Gervasoni, C.J, Christianson, D.W.
Deposit date:2020-11-25
Release date:2021-02-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:X-ray Crystallographic Snapshots of Substrate Binding in the Active Site of Histone Deacetylase 10.
Biochemistry, 60, 2021
7KWH
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BU of 7kwh by Molmil
Spermidine N-acetyltransferase SpeG K23-Y30 chimera from Vibrio cholerae and hSSAT
Descriptor: PHOSPHATE ION, Spermidine N(1)-acetyltransferase
Authors:Le, V.T.B, Tsimbalyuk, S, Lim, E.Q, Solis, A, Gawat, D, Boeck, P, Renolo, R, Forwood, J.K.
Deposit date:2020-12-01
Release date:2020-12-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The Vibrio cholerae SpeG Spermidine/Spermine N -Acetyltransferase Allosteric Loop and beta 6-beta 7 Structural Elements Are Critical for Kinetic Activity.
Front Mol Biosci, 8, 2021
7KX3
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BU of 7kx3 by Molmil
SpeG Spermidine N-acetyltransferase F149G mutant from Vibrio cholerae
Descriptor: Spermidine N(1)-acetyltransferase
Authors:Le, V.T.B, Tsimbalyuk, S, Lim, E.Q, Solis, A, Gawat, D, Boeck, P, Renolo, R, Forwood, J.K, Kuhn, M.L.
Deposit date:2020-12-03
Release date:2020-12-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:The Vibrio cholerae SpeG Spermidine/Spermine N -Acetyltransferase Allosteric Loop and beta 6-beta 7 Structural Elements Are Critical for Kinetic Activity.
Front Mol Biosci, 8, 2021
7KGV
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BU of 7kgv by Molmil
Crystal structure of sodium-coupled neutral amino acid transporter SLC38A9 in the N-terminal plugged form
Descriptor: Monoclonal antibody Fab heavy chain, Monoclonal antibody Fab light chain, Sodium-coupled neutral amino acid transporter 9
Authors:Lei, H, Mu, X, Hattne, J, Gonen, T.
Deposit date:2020-10-19
Release date:2020-12-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:A conformational change in the N terminus of SLC38A9 signals mTORC1 activation.
Structure, 29, 2021
7L5B
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BU of 7l5b by Molmil
Crystallographic structure of neutralizing antibody 2-15 in complex with SARS-CoV-2 spike receptor-binding Domain (RBD).
Descriptor: 2-15 Heavy chain, 2-15 Light Chain, Spike protein S1
Authors:Reddem, E.R, Shapiro, L.
Deposit date:2020-12-21
Release date:2021-02-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.18 Å)
Cite:Modular basis for potent SARS-CoV-2 neutralization by a prevalent VH1-2-derived antibody class.
Cell Rep, 35, 2021
7KUV
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BU of 7kuv by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with Acetate
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, PHOSPHATE ION, ...
Authors:Herbst-Gervasoni, C.J, Christianson, D.W.
Deposit date:2020-11-25
Release date:2021-02-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:X-ray Crystallographic Snapshots of Substrate Binding in the Active Site of Histone Deacetylase 10.
Biochemistry, 60, 2021
7KVL
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BU of 7kvl by Molmil
SARS-CoV-2 Main protease immature form - FMAX Library E01 fragment
Descriptor: 2-chloropyridine-4-carboxamide, 3C-like proteinase, DI(HYDROXYETHYL)ETHER, ...
Authors:Noske, G.D, Nakamura, A.M, Gawriljuk, V.O, Lima, G.M.A, Zeri, A.C.M, Nascimento, A.F.Z, Fernandes, R.S, Oliva, G, Godoy, A.S.
Deposit date:2020-11-28
Release date:2020-12-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:A Crystallographic Snapshot of SARS-CoV-2 Main Protease Maturation Process.
J.Mol.Biol., 433, 2021
7L65
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BU of 7l65 by Molmil
C-type carbohydrate-recognition domain 4 of the mannose receptor complexed with Methyl-GlcNAc
Descriptor: CALCIUM ION, Macrophage mannose receptor 1, methyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside
Authors:Weis, W.I, Feinberg, H.
Deposit date:2020-12-23
Release date:2021-02-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structural analysis of carbohydrate binding by the macrophage mannose receptor CD206.
J.Biol.Chem., 296, 2021
7L2C
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BU of 7l2c by Molmil
Crystallographic structure of neutralizing antibody 2-51 in complex with SARS-CoV-2 spike N-terminal domain (NTD)
Descriptor: 2-51 heavy chain, 2-51 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cerutti, G, Reddem, E.R, Shapiro, L.
Deposit date:2020-12-16
Release date:2021-02-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.65 Å)
Cite:Potent SARS-CoV-2 neutralizing antibodies directed against spike N-terminal domain target a single supersite.
Cell Host Microbe, 29, 2021
7L68
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BU of 7l68 by Molmil
C-type carbohydrate-recognition domain 4 of the mannose receptor
Descriptor: CALCIUM ION, Macrophage mannose receptor 1
Authors:Weis, W.I, Feinberg, H.
Deposit date:2020-12-23
Release date:2021-02-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural analysis of carbohydrate binding by the macrophage mannose receptor CD206.
J.Biol.Chem., 296, 2021
7L3L
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BU of 7l3l by Molmil
Structure of TRAF5 and TRAF6 RING Hetero dimer
Descriptor: TNF receptor-associated factor 5, TNF receptor-associated factor 6, ZINC ION
Authors:Das, A, Middleton, A.J, Padala, P, Day, C.L.
Deposit date:2020-12-17
Release date:2021-02-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The structure and ubiquitin binding properties of TRAF RING heterodimers.
J.Mol.Biol., 2021

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PDB entries from 2024-10-02

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