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7Q2R
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BU of 7q2r by Molmil
cryo iDPC-STEM structure recorded with CSA 4.0
Descriptor: Capsid protein, RNA (5'-R(P*GP*AP*A)-3')
Authors:Sachse, C, Leidl, M.L.
Deposit date:2021-10-26
Release date:2022-09-21
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Single-particle cryo-EM structures from iDPC-STEM at near-atomic resolution.
Nat.Methods, 19, 2022
7T0P
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BU of 7t0p by Molmil
JAK2 JH2 IN COMPLEX WITH JAK315
Descriptor: 4'-{[5-amino-3-(4-sulfamoylanilino)-1H-1,2,4-triazole-1-carbonyl]amino}-4-(benzyloxy)[1,1'-biphenyl]-3-carboxylic acid, GLYCEROL, Tyrosine-protein kinase JAK2
Authors:Ippolito, J.A, Liosi, M.-E, Krimmer, S.G, Schlessinger, J, Jorgensen, W.L.
Deposit date:2021-11-30
Release date:2022-06-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Insights on JAK2 Modulation by Potent, Selective, and Cell-Permeable Pseudokinase-Domain Ligands.
J.Med.Chem., 65, 2022
6LLQ
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BU of 6llq by Molmil
Solution NMR structure of de novo Rossmann2x2 fold with most of the core mutated to valine, R2x2_VAL88
Descriptor: VAL88
Authors:Kobayashi, N, Sugiki, T, Fujiwara, T, Koga, R, Yamamoto, M, Kosugi, T, Koga, N.
Deposit date:2019-12-23
Release date:2020-12-02
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Robust folding of a de novo designed ideal protein even with most of the core mutated to valine.
Proc.Natl.Acad.Sci.USA, 117, 2020
7SQ4
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BU of 7sq4 by Molmil
Designed trefoil knot protein, variant 2
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Designed trefoil knot protein, variant 2, ...
Authors:Takushi, B, Doyle, L, Stoddard, B.L, Bradley, P.
Deposit date:2021-11-04
Release date:2022-06-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.493 Å)
Cite:De novo design of knotted tandem repeat proteins.
Nat Commun, 14, 2023
7SQ3
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BU of 7sq3 by Molmil
Designed trefoil knot protein, variant 1
Descriptor: CHLORIDE ION, Designed trefoil knot protein, variant 1, ...
Authors:Takushi, B, Doyle, L, Stoddard, B.L, Bradley, P.
Deposit date:2021-11-04
Release date:2022-06-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.453 Å)
Cite:De novo design of knotted tandem repeat proteins.
Nat Commun, 14, 2023
7SZK
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BU of 7szk by Molmil
Cryo-EM structure of 27a bound to E. coli RNAP and rrnBP1 promoter complex
Descriptor: (2S,7R,7aR,13aP,16Z,18E,20S,21S,22R,23R,24R,25S,26R,27S,28E)-5,21,23-trihydroxy-27-methoxy-2,4,16,20,22,24,26-heptamethyl-10-[4-(2-methylpropyl)piperazin-1-yl]-12-({4-[(morpholin-4-yl)methyl]phenyl}methoxy)-1,6,15-trioxo-1,2,7,7a-tetrahydro-6H-2,7-(epoxypentadeca[1,11,13]trienoimino)[1]benzofuro[4,5-a]phenoxazin-25-yl acetate, DNA (5'-D(P*CP*TP*CP*GP*TP*AP*GP*AP*GP*TP*CP*CP*GP*TP*GP*TP*CP*A)-3'), DNA-directed RNA polymerase subunit alpha, ...
Authors:Shin, Y, Murakami, K.S.
Deposit date:2021-11-28
Release date:2022-07-13
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (2.94 Å)
Cite:Optimization of Benzoxazinorifamycins to Improve Mycobacterium tuberculosis RNA Polymerase Inhibition and Treatment of Tuberculosis.
Acs Infect Dis., 8, 2022
7PO7
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BU of 7po7 by Molmil
Phosphoglycolate phosphatase from Mus musculus
Descriptor: ACETATE ION, CALCIUM ION, GLYCEROL, ...
Authors:Schloetzer, J, Schindelin, H, Fratz, S.
Deposit date:2021-09-08
Release date:2022-12-21
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Glycolytic flux control by drugging phosphoglycolate phosphatase.
Nat Commun, 13, 2022
7SO8
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BU of 7so8 by Molmil
Crystal structure of Glutathione S-Transferase from Shrimp Litopenaeus vannamei in complex with silver ions and a molecules of Glutathione binding in G-site and H-site
Descriptor: GLUTATHIONE, Glutathione transferase, PENTAETHYLENE GLYCOL, ...
Authors:Escudero-Garcia, A, Rudino-Pinera, E, Miranda-Blancas, R.
Deposit date:2021-10-29
Release date:2022-11-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Inhibition of GST class Mu of the shrimp Litopenaeus vannamei by binding silver ions in H-site.
To Be Published
7POE
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BU of 7poe by Molmil
Phosphoglycolate Phosphatase with Inhibitor CP1
Descriptor: 2-[[4-[4-[(2-carboxyphenyl)carbamoyl]phenoxy]phenyl]carbonylamino]benzoic acid, GLYCEROL, Glycerol-3-phosphate phosphatase, ...
Authors:Schloetzer, J, Fratz, S, Schindelin, H.
Deposit date:2021-09-08
Release date:2022-12-21
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (3.16 Å)
Cite:Glycolytic flux control by drugging phosphoglycolate phosphatase.
Nat Commun, 13, 2022
7SQ5
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BU of 7sq5 by Molmil
Designed trefoil knot protein, variant 3
Descriptor: Designed trefoil knot protein, variant 3, SODIUM ION
Authors:Takushi, B, Doyle, L, Stoddard, B.L, Bradley, P.
Deposit date:2021-11-04
Release date:2022-11-09
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.205 Å)
Cite:De novo design of knotted tandem repeat proteins.
Nat Commun, 14, 2023
7T84
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BU of 7t84 by Molmil
Structure of angiotensin II type I receptor (AT1R) nanobody antagonist AT118i4h32 G26D T57I variant
Descriptor: CITRIC ACID, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Nemeth, G.R, Skiba, M.A, Kruse, A.C.
Deposit date:2021-12-15
Release date:2022-12-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:An in silico method to assess antibody fragment polyreactivity.
Nat Commun, 13, 2022
7T83
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BU of 7t83 by Molmil
Structure of angiotensin II type I receptor (AT1R) nanobody antagonist AT118i4h32
Descriptor: CITRATE ANION, Nanobody AT118i4h32
Authors:Skiba, M.A, Kruse, A.C.
Deposit date:2021-12-15
Release date:2022-12-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:An in silico method to assess antibody fragment polyreactivity.
Nat Commun, 13, 2022
6N1Y
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BU of 6n1y by Molmil
Structure of L509V CAO1 - growth condition 1
Descriptor: CHLORIDE ION, Carotenoid oxygenase, FE (II) ION
Authors:Khadka, N, Kiser, P.D.
Deposit date:2018-11-12
Release date:2019-06-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Evidence for distinct rate-limiting steps in the cleavage of alkenes by carotenoid cleavage dioxygenases.
J.Biol.Chem., 294, 2019
6N21
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BU of 6n21 by Molmil
Structure of wild-type CAO1
Descriptor: CHLORIDE ION, Carotenoid oxygenase, FE (II) ION
Authors:Khadka, N, Kiser, P.D.
Deposit date:2018-11-12
Release date:2019-06-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Evidence for distinct rate-limiting steps in the cleavage of alkenes by carotenoid cleavage dioxygenases.
J.Biol.Chem., 294, 2019
6MGI
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BU of 6mgi by Molmil
Photosynthetic phosphoenolpyruvate carboxylase isoenzyme from maize complexed with the allosteric activator glucose-6-phosphate in its allosteric site
Descriptor: 1,2-ETHANEDIOL, 2-PHOSPHOGLYCOLIC ACID, 6-O-phosphono-alpha-D-glucopyranose, ...
Authors:Gonzalez-Segura, L, Munoz-Clares, R.A.
Deposit date:2018-09-13
Release date:2019-09-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.986 Å)
Cite:Structural and biochemical evidence of the glucose 6-phosphate-allosteric site of maize C4-phosphoenolpyruvate carboxylase: its importance in the overall enzyme kinetics.
Biochem.J., 477, 2020
7SVP
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BU of 7svp by Molmil
Structure of compound 34 bound to human Phospholipase D2 catalytic domain
Descriptor: 1-(1-{(2S)-1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-1-oxopropan-2-yl}piperidin-4-yl)-1,3-dihydro-2H-benzimidazol-2-one, Phospholipase D2
Authors:Metrick, C.M, Chodaparambil, J.V.
Deposit date:2021-11-19
Release date:2023-01-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Discovery of Phospholipase D Inhibitors with Improved Drug-like Properties and Central Nervous System Penetrance.
Acs Med.Chem.Lett., 13, 2022
7T03
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BU of 7t03 by Molmil
NMR structure of a designed cold unfolding four helix bundle
Descriptor: Cold unfolding four helix bundle
Authors:Pulavarti, S, Szyperski, T, Yuen, S, Maguire, J, Griffin, J, Kuhlman, B.
Deposit date:2021-11-29
Release date:2022-03-02
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:From Protein Design to the Energy Landscape of a Cold Unfolding Protein.
J.Phys.Chem.B, 126, 2022
6MUN
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BU of 6mun by Molmil
Structure of hRpn10 bound to UBQLN2 UBL
Descriptor: 26S proteasome non-ATPase regulatory subunit 4, Ubiquilin-2
Authors:Chen, X, Walters, K.J.
Deposit date:2018-10-23
Release date:2019-09-04
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structure of hRpn10 Bound to UBQLN2 UBL Illustrates Basis for Complementarity between Shuttle Factors and Substrates at the Proteasome.
J.Mol.Biol., 431, 2019
6N20
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BU of 6n20 by Molmil
Structure of L509V CAO1 - growth condition 2
Descriptor: CHLORIDE ION, Carotenoid oxygenase, FE (II) ION
Authors:Khadka, N, Shi, W, Kiser, P.D.
Deposit date:2018-11-12
Release date:2019-06-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Evidence for distinct rate-limiting steps in the cleavage of alkenes by carotenoid cleavage dioxygenases.
J.Biol.Chem., 294, 2019
7TQG
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BU of 7tqg by Molmil
Crystal Structure of IOMA Fab inferred germline
Descriptor: IOMA iGL Fab Heavy Chain, IOMA iGL Fab Light Chain
Authors:Gristick, H.B, Bjorkman, P.J.
Deposit date:2022-01-26
Release date:2023-03-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:CD4 binding site immunogens elicit heterologous anti-HIV-1 neutralizing antibodies in transgenic and wild-type animals.
Sci Immunol, 8, 2023
6NO6
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BU of 6no6 by Molmil
K46bE&K114bD mutant ATP-grasp fold of Blastocystis hominis succinyl-CoA synthetase
Descriptor: Succinate--CoA ligase [ADP-forming] subunit beta
Authors:Huang, J, Fraser, M.E.
Deposit date:2019-01-15
Release date:2019-07-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.911 Å)
Cite:ATP-specificity of succinyl-CoA synthetase from Blastocystis hominis.
Acta Crystallogr D Struct Biol, 75, 2019
6NO1
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BU of 6no1 by Molmil
ADP bound to K46bE mutant ATP-grasp fold of Blastocystis hominis succinyl-CoA synthetase
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Succinate--CoA ligase [ADP-forming] subunit beta
Authors:Huang, J, Fraser, M.E.
Deposit date:2019-01-15
Release date:2019-07-17
Last modified:2020-01-08
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:ATP-specificity of succinyl-CoA synthetase from Blastocystis hominis.
Acta Crystallogr D Struct Biol, 75, 2019
7TUU
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BU of 7tuu by Molmil
Structure of the SARS-CoV-2 main protease in complex with halicin
Descriptor: 3C-like proteinase nsp5, 5-nitro-1,3-thiazole
Authors:Yang, K.S, Liu, W.R.
Deposit date:2022-02-03
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Repurposing Halicin as a potent covalent inhibitor for the SARS-CoV-2 main protease.
Curr Res Chem Biol, 2, 2022
6NO4
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BU of 6no4 by Molmil
ADP bound to L227bF mutant ATP-grasp fold of Blastocystis hominis succinyl-CoA synthetase
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Succinate--CoA ligase [ADP-forming] subunit beta
Authors:Huang, J, Fraser, M.E.
Deposit date:2019-01-15
Release date:2019-07-17
Last modified:2020-01-08
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:ATP-specificity of succinyl-CoA synthetase from Blastocystis hominis.
Acta Crystallogr D Struct Biol, 75, 2019
7RTH
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BU of 7rth by Molmil
Crystal structure of an anti-lysozyme nanobody in complex with an anti-nanobody Fab "NabFab"
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Fragment Antigen-Binding Heavy Chain, ...
Authors:Filippova, E.V, Mukherjee, S, Bloch, J.S, Locher, K.P, Kossiakoff, A.A.
Deposit date:2021-08-13
Release date:2021-09-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Development of a universal nanobody-binding Fab module for fiducial-assisted cryo-EM studies of membrane proteins.
Proc.Natl.Acad.Sci.USA, 118, 2021

222624

数据于2024-07-17公开中

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