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7P6M
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BU of 7p6m by Molmil
Hydrogenated refolded hen egg-white lysozyme
Descriptor: ACETATE ION, Lysozyme C, NITRATE ION
Authors:Ramos, J, Laux, V, Haertlein, M, Forsyth, V.T, Mossou, E, Larsen, S, Langkilde, A.E.
Deposit date:2021-07-16
Release date:2021-12-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (0.89 Å)
Cite:The impact of folding modes and deuteration on the atomic resolution structure of hen egg-white lysozyme.
Acta Crystallogr D Struct Biol, 77, 2021
8AVU
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BU of 8avu by Molmil
Racemic protein crystal structure of aureocin A53 from Staphylococcus aureus in the dimeric state
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
Method:X-RAY DIFFRACTION (0.89 Å)
Cite:Roles of inter- and intramolecular tryptophan interactions in membrane-active proteins revealed by racemic protein crystallography.
Commun Chem, 6, 2023
8PB5
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BU of 8pb5 by Molmil
PsiM in complex with sinefungin and norbaeocystin
Descriptor: CHLORIDE ION, Norbaeocystin, Psilocybin synthase, ...
Authors:Werten, S, Hudspeth, J, Rupp, B.
Deposit date:2023-06-08
Release date:2024-04-03
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (0.89 Å)
Cite:Methyl transfer in psilocybin biosynthesis.
Nat Commun, 15, 2024
7APW
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BU of 7apw by Molmil
The Fk1 domain of FKBP51 in complex with (1S,5S,6R)-10-(benzo[d]thiazol-6-ylsulfonyl)-5-(methoxymethyl)-3-(pyridin-2-ylethyl)-3,10-diazabicyclo[4.3.1]decan-2-one
Descriptor: (1S,5S,6R)-10-(benzo[d]thiazol-6-ylsulfonyl)-5-(methoxymethyl)-3-(pyridin-2-ylethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Voll, A.M, Kolos, J.M, Pomplun, S, Riess, B, Purder, P, Merz, S, Bracher, A, Meyners, C, Krewald, V, Hausch, F.
Deposit date:2020-10-20
Release date:2021-11-10
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (0.89 Å)
Cite:Picomolar FKBP inhibitors enabled by a single water-displacing methyl group in bicyclic [4.3.1] aza-amides.
Chem Sci, 12, 2021
4OY5
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BU of 4oy5 by Molmil
0.89 Angstrom resolution crystal structure of (Gly-Pro-Hyp)10
Descriptor: Collagen
Authors:Suzuki, H, Mahapatra, D, Steel, P.J, Dyer, J, Dobson, R.C.J, Gerrard, J.A, Valery, C.
Deposit date:2014-02-10
Release date:2015-03-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (0.89 Å)
Cite:Sub-angstrom structure of the collagen model peptide (GPO)10 shows a hydrated triple helix with pitch variation and two proline ring conformations
To Be Published
2QDV
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BU of 2qdv by Molmil
Structure of the Cu(II) form of the M51A mutant of amicyanin
Descriptor: Amicyanin, COPPER (II) ION, PHOSPHATE ION
Authors:Carrell, C.J, Ma, J.K, Wang, Y, Davidson, V.L, Mathews, F.S.
Deposit date:2007-06-21
Release date:2007-12-11
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (0.89 Å)
Cite:A single methionine residue dictates the kinetic mechanism of interprotein electron transfer from methylamine dehydrogenase to amicyanin.
Biochemistry, 46, 2007
4O6U
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BU of 4o6u by Molmil
0.89A resolution structure of the hemophore HasA from Pseudomonas aeruginosa (H83A mutant)
Descriptor: 1,2-ETHANEDIOL, HasAp, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lovell, S, Kumar, R, Battaile, K.P, Matsumura, H, Yao, H, Rodriguez, J.C, Moenne-Loccoz, P, Rivera, M.
Deposit date:2013-12-23
Release date:2014-03-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (0.89 Å)
Cite:Replacing the Axial Ligand Tyrosine 75 or Its Hydrogen Bond Partner Histidine 83 Minimally Affects Hemin Acquisition by the Hemophore HasAp from Pseudomonas aeruginosa.
Biochemistry, 53, 2014
8R5K
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BU of 8r5k by Molmil
The Fk1 domain of FKBP51 in complex with Antascomicine B
Descriptor: Antascomicine B, Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Voll, M.A, Bracher, A, Hausch, F.
Deposit date:2023-11-16
Release date:2024-05-08
Method:X-RAY DIFFRACTION (0.89 Å)
Cite:Antascomicin B stabilizes FKBP51-Akt1 complexes as a molecular glue.
Bioorg.Med.Chem.Lett., 104, 2024
5HBS
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BU of 5hbs by Molmil
Crystal structure of human cellular retinol binding protein 1 in complex with all-trans-retinol at 0.89 angstrom.
Descriptor: RETINOL, Retinol-binding protein 1
Authors:Golczak, M, Arne, J.M, Silvaroli, J.A, Kiser, P.D, Banerjee, S.
Deposit date:2016-01-02
Release date:2016-03-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (0.89 Å)
Cite:Ligand Binding Induces Conformational Changes in Human Cellular Retinol-binding Protein 1 (CRBP1) Revealed by Atomic Resolution Crystal Structures.
J.Biol.Chem., 291, 2016
1HHU
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BU of 1hhu by Molmil
Balhimycin in complex with D-Ala-D-Ala
Descriptor: (2R,4S,6S)-4-azanyl-4,6-dimethyl-oxane-2,5,5-triol, (4S)-2-METHYL-2,4-PENTANEDIOL, BALHIMYCIN, ...
Authors:Lehmann, C, Bunkoczi, G, Sheldrick, G.M, Vertessy, L.
Deposit date:2000-12-28
Release date:2003-09-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (0.89 Å)
Cite:Structures of Glycopeptide Antibiotics with Peptides that Model Bacterial Cell-Wall Precursors
J.Mol.Biol., 318, 2002
1SK5
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BU of 1sk5 by Molmil
The ultra-high resolution structure of d(CTTTTAAAAG)2: modulation of bending by T-A steps and its role in DNA recognition
Descriptor: 5'-D(*CP*TP*TP*TP*TP*AP*AP*AP*AP*G)-3', CALCIUM ION
Authors:Han, G.W, Langs, D, Kopka, M.L, Dickerson, R.E.
Deposit date:2004-03-04
Release date:2005-06-21
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (0.89 Å)
Cite:The ultra-high resolution structure of d(CTTTTAAAAG)2: modulation of bending by T-A steps and its role in DNA recognition
To be Published
1HHY
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BU of 1hhy by Molmil
Deglucobalhimycin in complex with D-Ala-D-Ala
Descriptor: (2R,4S,6S)-4-azanyl-4,6-dimethyl-oxane-2,5,5-triol, D-ALANINE, DEGLUCOBALHIMYCIN, ...
Authors:Lehmann, C, Bunkoczi, G, Sheldrick, G.M, Vertesy, L.
Deposit date:2000-12-29
Release date:2003-09-05
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (0.89 Å)
Cite:Structures of Glycopeptide Antibiotics with Peptides that Model Bacterial Cell-Wall Precursors
J.Mol.Biol., 318, 2002
1I1W
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BU of 1i1w by Molmil
0.89A Ultra high resolution structure of a Thermostable Xylanase from Thermoascus Aurantiacus
Descriptor: ACETONE, ENDO-1,4-BETA-XYLANASE, ETHANOL, ...
Authors:Natesh, R, Ramakumar, S, Viswamitra, M.A.
Deposit date:2001-02-04
Release date:2003-01-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (0.89 Å)
Cite:Thermostable xylanase from Thermoascus aurantiacus at ultrahigh resolution (0.89 A) at 100 K and atomic resolution (1.11 A) at 293 K refined anisotropically to small-molecule accuracy.
Acta Crystallogr.,Sect.D, 59, 2003
1YWA
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BU of 1ywa by Molmil
0.9 A Structure of NP4 from Rhodnius Prolixus complexed with CO at pH 5.6
Descriptor: CARBON MONOXIDE, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Maes, E.M, Weichsel, A, Roberts, S.A, Montfort, W.R.
Deposit date:2005-02-17
Release date:2005-10-04
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (0.89 Å)
Cite:Ultrahigh Resolution Structures of Nitrophorin 4: Heme Distortion in Ferrous CO and NO Complexes
Biochemistry, 44, 2005
4WEE
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BU of 4wee by Molmil
High-resolution structure of Synaptotagmin 1 C2A
Descriptor: SODIUM ION, SULFATE ION, Synaptotagmin-1
Authors:Sutton, R.B, Fuson, K.L.
Deposit date:2014-09-09
Release date:2014-10-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (0.891 Å)
Cite:High-resolution structure of Synaptotagmin 1 C2A
To Be Published
6EVH
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BU of 6evh by Molmil
Lipoaminopeptide helioferin A and B from Mycogone rosea
Descriptor: CHLORIDE ION, FLUORIDE ION, Lipoaminopeptide helioferin A and B
Authors:Gessmann, R, Petratos, K.
Deposit date:2017-11-01
Release date:2018-07-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (0.9 Å)
Cite:Aminolipopeptide helioferin A and B
Acta Cryst. D, 74, 2018
6Y14
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BU of 6y14 by Molmil
Bicyclic peptide bp65 crystallized as racemic mixture at 0.9 Angstrom resolution
Descriptor: CITRIC ACID, bp65
Authors:Baeriswyl, S, Stocker, A, Reymond, J.-L.
Deposit date:2020-02-11
Release date:2021-02-17
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (0.9 Å)
Cite:A mixed chirality alpha-helix in a stapled bicyclic and a linear antimicrobial peptide revealed by X-ray crystallography.
Rsc Chem Biol, 2, 2021
7TWT
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BU of 7twt by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ADP-ribose at pH 4 (P43 crystal form)
Descriptor: Non-structural protein 3, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-02-07
Release date:2022-02-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (0.9 Å)
Cite:Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ADP-ribose at pH 4 (P43 crystal form)
To Be Published
7TWO
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BU of 7two by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain at pH 6 (P43 crystal form)
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CITRIC ACID, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-02-07
Release date:2022-02-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (0.9 Å)
Cite:The mechanisms of catalysis and ligand binding for the SARS-CoV-2 NSP3 macrodomain from neutron and x-ray diffraction at room temperature.
Sci Adv, 8, 2022
7TWR
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BU of 7twr by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain at pH 8 (P43 crystal form)
Descriptor: ACETATE ION, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-02-07
Release date:2022-02-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (0.9 Å)
Cite:The mechanisms of catalysis and ligand binding for the SARS-CoV-2 NSP3 macrodomain from neutron and x-ray diffraction at room temperature.
Sci Adv, 8, 2022
7TWW
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BU of 7tww by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ADP-ribose at pH 6 (P43 crystal form)
Descriptor: CITRIC ACID, Non-structural protein 3, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-02-07
Release date:2022-02-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (0.9 Å)
Cite:Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ADP-ribose at pH 6 (P43 crystal form)
To Be Published
7TWS
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BU of 7tws by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain at pH 10 (P43 crystal form)
Descriptor: Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-02-07
Release date:2022-02-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (0.9 Å)
Cite:The mechanisms of catalysis and ligand binding for the SARS-CoV-2 NSP3 macrodomain from neutron and x-ray diffraction at room temperature.
Sci Adv, 8, 2022
7TWY
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BU of 7twy by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ADP-ribose at pH 8 (P43 crystal form)
Descriptor: Non-structural protein 3, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-02-07
Release date:2022-02-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (0.9 Å)
Cite:Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ADP-ribose at pH 8 (P43 crystal form)
To Be Published
7TWP
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BU of 7twp by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain at pH 7 (P43 crystal form)
Descriptor: ACETATE ION, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-02-07
Release date:2022-02-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (0.9 Å)
Cite:The mechanisms of catalysis and ligand binding for the SARS-CoV-2 NSP3 macrodomain from neutron and x-ray diffraction at room temperature.
Sci Adv, 8, 2022
7TWJ
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BU of 7twj by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain at pH 4 (P43 crystal form)
Descriptor: CITRIC ACID, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-02-07
Release date:2022-02-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (0.9 Å)
Cite:The mechanisms of catalysis and ligand binding for the SARS-CoV-2 NSP3 macrodomain from neutron and x-ray diffraction at room temperature.
Sci Adv, 8, 2022

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