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1MTJ
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BU of 1mtj by Molmil
PHE46(CD4) ORIENTS THE DISTAL HISTIDINE FOR HYDROGEN BONDING TO BOUND LIGANDS IN SPERM WHALE MYOGLOBIN
Descriptor: MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Li, T, Phillips Jr, G.N.
Deposit date:1994-12-12
Release date:1995-09-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Phe-46(CD4) orients the distal histidine for hydrogen bonding to bound ligands in sperm whale myoglobin.
Proteins, 22, 1995
1MCY
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BU of 1mcy by Molmil
SPERM WHALE MYOGLOBIN (MUTANT WITH INITIATOR MET AND WITH HIS 64 REPLACED BY GLN, LEU 29 REPLACED BY PHE
Descriptor: CARBON MONOXIDE, MYOGLOBIN (CARBONMONOXY), PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, T, Phillips Jr, G.N.
Deposit date:1995-07-19
Release date:1995-12-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A double mutant of sperm whale myoglobin mimics the structure and function of elephant myoglobin.
J.Biol.Chem., 270, 1995
1MTK
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BU of 1mtk by Molmil
PHE46(CD4) ORIENTS THE DISTAL HISTIDINE FOR HYDROGEN BONDING TO BOUND LIGANDS IN SPERM WHALE MYOGLOBIN
Descriptor: MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Li, T, Phillips Jr, G.N.
Deposit date:1994-12-12
Release date:1995-09-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Phe-46(CD4) orients the distal histidine for hydrogen bonding to bound ligands in sperm whale myoglobin.
Proteins, 22, 1995
7YHK
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BU of 7yhk by Molmil
Cryo-EM structure of the HA trimer of A/Beijing/262/1995(H1N1) in complex with neutralizing antibody 12H5
Descriptor: 12H5 heavy chain, 12H5 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zheng, Q, Li, S, Li, T, Xue, W, Sun, H.
Deposit date:2022-07-13
Release date:2022-08-17
Last modified:2023-07-19
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:Identification of a cross-neutralizing antibody that targets the receptor binding site of H1N1 and H5N1 influenza viruses.
Nat Commun, 13, 2022
7V8O
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BU of 7v8o by Molmil
Crystal structure of cyclohexanone monooxygenase from T. municipale mutant L437T complexed with NADP+ and FAD in space group of P21221
Descriptor: 1,2-ETHANEDIOL, Cyclohexanone Monooxygenase from Thermocrispum municipale, DI(HYDROXYETHYL)ETHER, ...
Authors:Li, T, Li, G.Y, Yin, H.
Deposit date:2021-08-23
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Biocatalytic Baeyer-Villiger Reactions: Uncovering the Source of Regioselectivity at Each Evolutionary Stage of a Mutant with Scrutiny of Fleeting Chiral Intermediates.
Acs Catalysis, 12, 2022
7V8S
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BU of 7v8s by Molmil
Crystal structure of cyclohexanone monooxygenase from T. municipale mutant L437T complexed with NADP+ and FAD in space group of P1211
Descriptor: Cyclohexanone Monooxygenase from Thermocrispum municipale, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Li, T, Li, G.Y, Yin, H.
Deposit date:2021-08-23
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Biocatalytic Baeyer-Villiger Reactions: Uncovering the Source of Regioselectivity at Each Evolutionary Stage of a Mutant with Scrutiny of Fleeting Chiral Intermediates.
Acs Catalysis, 12, 2022
7V8R
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BU of 7v8r by Molmil
Crystal structure of cyclohexanone monooxygenase from T. municipale mutant L437T complexed with NADP+ and FAD in space group of C2221
Descriptor: 1,2-ETHANEDIOL, Cyclohexanone Monooxygenase from Thermocrispum municipale, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Li, T, Li, G.Y, Yin, H.
Deposit date:2021-08-23
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.764 Å)
Cite:Biocatalytic Baeyer-Villiger Reactions: Uncovering the Source of Regioselectivity at Each Evolutionary Stage of a Mutant with Scrutiny of Fleeting Chiral Intermediates.
Acs Catalysis, 12, 2022
7CYV
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BU of 7cyv by Molmil
Crystal structure of FD20, a neutralizing single-chain variable fragment (scFv) in complex with SARS-CoV-2 Spike receptor-binding domain (RBD)
Descriptor: Spike protein S1, The heavy chain variable region of the scFv FD20,The light chain variable region of the scFv FD20, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)][alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Li, Y, Li, T, Lai, Y, Cai, H, Yao, H, Li, D.
Deposit date:2020-09-04
Release date:2021-09-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.13 Å)
Cite:Uncovering a conserved vulnerability site in SARS-CoV-2 by a human antibody.
Embo Mol Med, 13, 2021
8IMY
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BU of 8imy by Molmil
Cryo-EM structure of GPI-T (inactive mutant) with GPI and proULBP2, a proprotein substrate
Descriptor: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Li, T, Xu, Y, Qu, Q, Li, D.
Deposit date:2023-03-07
Release date:2023-08-16
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (3.22 Å)
Cite:Structures of liganded glycosylphosphatidylinositol transamidase illuminate GPI-AP biogenesis.
Nat Commun, 14, 2023
6KC0
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BU of 6kc0 by Molmil
fused To-MtbCsm1 with 2ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CRISPR system single-strand-specific deoxyribonuclease Cas10/Csm1 (subtype III-A),CRISPR system single-strand-specific deoxyribonuclease Cas10/Csm1 (subtype III-A), MAGNESIUM ION
Authors:Li, T, Huo, Y, Jiang, T.
Deposit date:2019-06-26
Release date:2020-07-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.295 Å)
Cite:Mycobacterium tuberculosis CRISPR/Cas system Csm1 holds clues to the evolutionary relationship between DNA polymerase and cyclase activity.
Int.J.Biol.Macromol., 170, 2020
6KBD
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BU of 6kbd by Molmil
fused To-MtbCsm1 with 2dATP
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CRISPR system single-strand-specific deoxyribonuclease Cas10/Csm1 (subtype III-A),CRISPR system single-strand-specific deoxyribonuclease Cas10/Csm1 (subtype III-A), MAGNESIUM ION
Authors:Li, T, Huo, Y, Jiang, T.
Deposit date:2019-06-24
Release date:2020-06-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Mycobacterium tuberculosis CRISPR/Cas system Csm1 holds clues to the evolutionary relationship between DNA polymerase and cyclase activity.
Int.J.Biol.Macromol., 170, 2020
7E3L
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BU of 7e3l by Molmil
Ultrapotent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 58G6 heavy chain, 58G6 light chain, ...
Authors:Guo, H, Li, T, Liu, F, Gao, Y, Ji, X, Yang, H.
Deposit date:2021-02-09
Release date:2021-09-15
Last modified:2022-03-02
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Potent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants.
Nat Commun, 12, 2021
7E3K
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BU of 7e3k by Molmil
Ultrapotent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants
Descriptor: 13G9 heavy chain, 13G9 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Guo, H, Li, T, Liu, F, Gao, Y, Ji, X, Yang, H.
Deposit date:2021-02-09
Release date:2021-09-15
Last modified:2022-03-02
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Potent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants.
Nat Commun, 12, 2021
7F5H
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BU of 7f5h by Molmil
The crystal structure of RBD-Nanobody complex, DL28 (SC4)
Descriptor: GLYCEROL, Nanobody DL28, PHOSPHATE ION, ...
Authors:Luo, Z.P, Li, T, Lai, Y, Zhou, Y, Tan, J, Li, D.
Deposit date:2021-06-22
Release date:2022-06-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural Characterization of a Neutralizing Nanobody With Broad Activity Against SARS-CoV-2 Variants.
Front Microbiol, 13, 2022
7D2Z
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BU of 7d2z by Molmil
Structure of sybody SR31 in complex with the SARS-CoV-2 S Receptor Binding domain (RBD)
Descriptor: ACETATE ION, FORMIC ACID, GLYCEROL, ...
Authors:Li, T, Cai, H, Yao, H, Qin, W, Li, D.
Deposit date:2020-09-17
Release date:2021-02-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:A high-affinity RBD-targeting nanobody improves fusion partner's potency against SARS-CoV-2.
Plos Pathog., 17, 2021
7D30
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BU of 7d30 by Molmil
Structure of sybody MR17-SR31 fusion in complex with the SARS-CoV-2 S Receptor Binding domain (RBD)
Descriptor: 1,3-BUTANEDIOL, ACETATE ION, CADMIUM ION, ...
Authors:Li, T, Yao, H, Cai, H, Qin, W, Li, D.
Deposit date:2020-09-17
Release date:2021-02-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A high-affinity RBD-targeting nanobody improves fusion partner's potency against SARS-CoV-2.
Plos Pathog., 17, 2021
4ERG
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BU of 4erg by Molmil
Evidence for a Dual Role of an Active Site Histidine in alpha-Amino-beta-Carboxymuconate-epsilon-Semialdehyde Decarboxylase
Descriptor: 2-amino-3-carboxymuconate 6-semialdehyde decarboxylase, FE (III) ION
Authors:Huo, L, Fielding, A.J, Chen, Y, Li, T, Iwaki, H, Hosler, J.P, Chen, L, Hasegawa, Y, Que Jr, L, Liu, A.
Deposit date:2012-04-20
Release date:2012-08-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.789 Å)
Cite:Evidence for a Dual Role of an Active Site Histidine in alpha-Amino-beta-Carboxymuconate-epsilon-Semialdehyde Decarboxylase
Biochemistry, 51, 2012
4ERI
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BU of 4eri by Molmil
Evidence for a Dual Role of an Active Site Histidine in alpha-Amino-beta-Carboxymuconate-epsilon-Semialdehyde Decarboxylase
Descriptor: 2-amino-3-carboxymuconate 6-semialdehyde decarboxylase, MAGNESIUM ION, ZINC ION
Authors:Huo, L, Fielding, A.J, Chen, Y, Li, T, Iwaki, H, Hosler, J.P, Chen, L, Hasegawa, Y, Que Jr, L, Liu, A.
Deposit date:2012-04-20
Release date:2012-08-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.0006 Å)
Cite:Evidence for a Dual Role of an Active Site Histidine in alpha-Amino-beta-Carboxymuconate-epsilon-Semialdehyde Decarboxylase
Biochemistry, 51, 2012
4ERA
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BU of 4era by Molmil
Evidence for a Dual Role of an Active Site Histidine in alpha-Amino-beta-Carboxymuconate-epsilon-Semialdehyde Decarboxylase
Descriptor: 2-amino-3-carboxymuconate 6-semialdehyde decarboxylase, COBALT (II) ION
Authors:Huo, L, Fielding, A.J, Chen, Y, Li, T, Iwaki, H, Hosler, J.P, Chen, L, Hasegawa, Y, Que Jr, L, Liu, A.
Deposit date:2012-04-19
Release date:2012-08-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.398 Å)
Cite:Evidence for a Dual Role of an Active Site Histidine in alpha-Amino-beta-Carboxymuconate-epsilon-Semialdehyde Decarboxylase
Biochemistry, 51, 2012
2F7X
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BU of 2f7x by Molmil
Protein Kinase A bound to (S)-2-(1H-Indol-3-yl)-1-[5-((E)-2-pyridin-4-yl-vinyl)-pyridin-3-yloxymethyl]-ethylamine
Descriptor: (1S)-2-(1H-INDOL-3-YL)-1-[({5-[(E)-2-PYRIDIN-4-YLVINYL]PYRIDIN-3-YL}OXY)METHYL]ETHYLAMINE, PKI, inhibitory peptide, ...
Authors:Li, Q, Li, T, Zhu, G.D, Gong, J, Claibone, A, Dalton, C, Luo, Y, Johnson, E.F, Shi, Y, Liu, X, Klinghofer, V, Bauch, J.L, Marsh, K.C, Bouska, J.J, Arries, S, De Jong, R, Oltersdorf, T, Stoll, V.S, Jakob, C.G, Rosenberg, S.H, Giranda, V.L.
Deposit date:2005-12-01
Release date:2006-06-27
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of trans-3,4'-bispyridinylethylenes as potent and novel inhibitors of protein kinase B (PKB/Akt) for the treatment of cancer: Synthesis and biological evaluation.
Bioorg.Med.Chem.Lett., 16, 2006
8K9Q
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BU of 8k9q by Molmil
Cryo-EM structure of the GPI inositol-deacylase (PGAP1/Bst1) from Chaetomium thermophilum
Descriptor: (2~{S})-2-azanyl-3-[[(2~{R})-3-hexadecanoyloxy-2-[(~{Z})-octadec-9-enoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxy-propanoic acid, CHOLESTEROL HEMISUCCINATE, GPI inositol-deacylase,fused thermostable green fluorescent protein
Authors:Hong, J, Li, T, Qu, Q, Li, D.
Deposit date:2023-08-01
Release date:2023-12-20
Last modified:2024-01-17
Method:ELECTRON MICROSCOPY (2.84 Å)
Cite:Molecular basis of the inositol deacylase PGAP1 involved in quality control of GPI-AP biogenesis.
Nat Commun, 15, 2024
5YEI
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BU of 5yei by Molmil
Mechanistic insight into the regulation of Pseudomonas aeruginosa aspartate kinase
Descriptor: Aspartokinase, GLYCEROL, LYSINE, ...
Authors:Li, C, Yang, M, Liu, L, Peng, C, Li, T, He, L, Song, Y, Zhu, Y, Bao, R.
Deposit date:2017-09-17
Release date:2018-08-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Mechanistic insights into the allosteric regulation of Pseudomonas aeruginosa aspartate kinase.
Biochem.J., 475, 2018
5YLO
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BU of 5ylo by Molmil
Structural of Pseudomonas aeruginosa PA4980
Descriptor: GLYCEROL, Probable enoyl-CoA hydratase/isomerase
Authors:Liu, L, Li, T, Peng, C.T, Li, C.C, Xiao, Q.J, He, L.H, Wang, N.Y, Bao, R.
Deposit date:2017-10-18
Release date:2018-08-22
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Structural characterization of a Delta3, Delta2-enoyl-CoA isomerase from Pseudomonas aeruginosa: implications for its involvement in unsaturated fatty acid metabolism.
J.Biomol.Struct.Dyn., 37, 2019
5YKW
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BU of 5ykw by Molmil
Structural basis of the thiol resolving mechanism in yeast mitochondrial 1-Cys peroxiredoxin via glutathione/thioredoxin systems
Descriptor: Thioredoxin-3, mitochondrial, peptide THR-PRO-VAL-CYS-THR-THR-GLU-VAL
Authors:Li, C.C, Yang, J, Yang, M.J, Liu, L, Peng, C.T, Li, T, He, L.H, Song, Y.J, Zhu, Y.B, Zhao, N.L, Zhao, C, Bao, R.
Deposit date:2017-10-16
Release date:2018-10-24
Last modified:2019-11-06
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Structural basis of the thiol resolving mechanism in yeast mitochondrial 1-Cys peroxiredoxin via glutathione/thioredoxin systems
to be published
7BOR
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BU of 7bor by Molmil
Structure of Pseudomonas aeruginosa CoA-bound OdaA
Descriptor: COENZYME A, Probable enoyl-CoA hydratase/isomerase
Authors:Zhao, N, Zhao, C, Liu, L, Li, T, Li, C, He, L, Zhu, Y, Song, Y, Bao, R.
Deposit date:2020-03-19
Release date:2020-05-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:Structural and molecular dynamic studies of Pseudomonas aeruginosa OdaA reveal the regulation role of a C-terminal hinge element.
Biochim Biophys Acta Gen Subj, 1865, 2020

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