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8VKC
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BU of 8vkc by Molmil
Crystal structure of dehaloperoxidase A in complex with substrate 4-nitrophenol
Descriptor: Dehaloperoxidase A, GLYCEROL, P-NITROPHENOL, ...
Authors:Aktar, M.S, de Serrano, V.S, Ghiladi, R.A, Franzen, S.
Deposit date:2024-01-08
Release date:2024-07-17
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Structural Comparison of Substrate Binding Sites in Dehaloperoxidase A and B.
Biochemistry, 63, 2024
8VSK
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BU of 8vsk by Molmil
Crystal structure of Dehaloperoxidase A in complex with substrate 2,4-dibromophenol
Descriptor: 2,4-bis(bromanyl)phenol, DI(HYDROXYETHYL)ETHER, Dehaloperoxidase A, ...
Authors:Aktar, M.S, de Serrano, V.S, Ghiladi, R.A, Franzen, S.
Deposit date:2024-01-24
Release date:2024-07-17
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (1.515 Å)
Cite:Structural Comparison of Substrate Binding Sites in Dehaloperoxidase A and B.
Biochemistry, 63, 2024
8VKD
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BU of 8vkd by Molmil
Crystal structure of dehaloperoxidase A in complex with substrate 4-nitrocatechol
Descriptor: 4-NITROCATECHOL, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:Aktar, M.S, de Serrano, V.S, Ghiladi, R.A, Franzen, S.
Deposit date:2024-01-08
Release date:2024-07-17
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural Comparison of Substrate Binding Sites in Dehaloperoxidase A and B.
Biochemistry, 63, 2024
7S86
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BU of 7s86 by Molmil
Crystal structure of hydrophobin SC16, C2221
Descriptor: 1,2-ETHANEDIOL, Hydrophobin, SODIUM ION
Authors:Vergunst, K.L, Langelaan, D.N.
Deposit date:2021-09-17
Release date:2021-12-29
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:The N-terminal tail of the hydrophobin SC16 is not required for rodlet formation
Sci Rep, 12, 2022
8T62
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BU of 8t62 by Molmil
Solution NMR structure of designed peptide BH21 (TMIEDPEAGHFHTSSA)
Descriptor: Designed peptide BH21
Authors:McShan, A.C, Torres, M.P.
Deposit date:2023-06-15
Release date:2023-06-28
Last modified:2024-09-18
Method:SOLUTION NMR
Cite:Generative beta-hairpin design using a residue-based physicochemical property landscape.
Biophys.J., 123, 2024
8T63
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BU of 8t63 by Molmil
Solution NMR structure of designed peptide PH1 (WHMWNTVPNAKQVIAA)
Descriptor: Designed peptide PH1
Authors:McShan, A.C, Torres, M.P.
Deposit date:2023-06-15
Release date:2023-06-28
Last modified:2024-09-18
Method:SOLUTION NMR
Cite:Generative beta-hairpin design using a residue-based physicochemical property landscape.
Biophys.J., 123, 2024
8T61
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BU of 8t61 by Molmil
Solution NMR structure of designed peptide BH33 (RHYYKFNSTGRHYHYY)
Descriptor: Designed peptide BH33
Authors:McShan, A.C, Torres, M.P.
Deposit date:2023-06-15
Release date:2023-06-28
Last modified:2024-09-18
Method:SOLUTION NMR
Cite:Generative beta-hairpin design using a residue-based physicochemical property landscape.
Biophys.J., 123, 2024
5Z0A
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BU of 5z0a by Molmil
ST0452(Y97N)-GlcNAc binding form
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Dual sugar-1-phosphate nucleotidylyltransferase
Authors:Honda, Y, Nakano, S, Ito, S, Dadashipour, M, Zhang, Z, Kawarabayasi, Y.
Deposit date:2017-12-19
Release date:2018-10-31
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Improvement of ST0452N-Acetylglucosamine-1-Phosphate Uridyltransferase Activity by the Cooperative Effect of Two Single Mutations Identified through Structure-Based Protein Engineering
Appl. Environ. Microbiol., 84, 2018
9FBD
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BU of 9fbd by Molmil
Crystal structure of 3-hydroxybutyryl-CoA dehydrogenase from Thermus thermophilus HB27 complexed to NAD+
Descriptor: 3-hydroxybutyryl-CoA dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Hurtado-Guerrero, R, Macias-Leon, J, Gines-Alcober, I, Gonzalez-Ramirez, A.M.
Deposit date:2024-05-13
Release date:2025-03-19
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Loop engineering of enzymes to control their immobilization and ultimately fabricate more efficient heterogeneous biocatalysts.
Protein Sci., 34, 2025
6VIF
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BU of 6vif by Molmil
Human LRH-1 ligand-binding domain bound to agonist cpd 15 and fragment of coregulator TIF-2
Descriptor: N-[(8beta,11alpha,12alpha)-8-{[methyl(phenyl)amino]methyl}-1,6:7,14-dicycloprosta-1(6),2,4,7(14)-tetraen-11-yl]sulfuric diamide, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2
Authors:Cato, M.L, Ortlund, E.A.
Deposit date:2020-01-13
Release date:2020-06-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Development of a new class of liver receptor homolog-1 (LRH-1) agonists by photoredox conjugate addition.
Bioorg.Med.Chem.Lett., 30, 2020
1H22
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BU of 1h22 by Molmil
Structure of acetylcholinesterase (E.C. 3.1.1.7) complexed with (S,S)-(-)-bis(10)-hupyridone at 2.15A resolution
Descriptor: (S,S)-(-)-N,N'-DI-5'-[5',6',7',8'-TETRAHYDRO- 2'(1'H)-QUINOLYNYL]-1,10-DIAMINODECANE DIHYDROCHLORIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE
Authors:Wong, D.M, Greenblatt, H.M, Carlier, P.R, Han, Y.-F, Pang, Y.-P, Silman, I, Sussman, J.L.
Deposit date:2002-07-30
Release date:2002-12-23
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Acetylcholinesterase Complexed with Bivalent Ligands Related to Huperzine A: Experimental Evidence for Species-Dependent Protein-Ligand Complementarity
J.Am.Chem.Soc., 125, 2003
9FXF
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BU of 9fxf by Molmil
VHH variant adression natural cytotoxicity triggering receptor 3
Descriptor: 12-HYDROXYDODECANOIC ACID, PHOSPHATE ION, VHH
Authors:Musil, D, Freire, F.
Deposit date:2024-07-01
Release date:2024-10-30
Method:X-RAY DIFFRACTION (1.067 Å)
Cite:On the humanization of VHHs: Prospective case studies, experimental and computational characterization of structural determinants for functionality.
Protein Sci., 33, 2024
9JS5
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BU of 9js5 by Molmil
Crystal structure of the ASFV-derived histone-like protein pA104R
Descriptor: 1,2-ETHANEDIOL, SULFATE ION, Viral histone-like protein
Authors:Li, Q, Shao, H, Yi, D, Cen, S.
Deposit date:2024-09-30
Release date:2025-04-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Thonningianin A disrupts pA104R-DNA binding and inhibits African swine fever virus replication.
Emerg Microbes Infect, 14, 2025
9JUR
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BU of 9jur by Molmil
Crystal Structure of NHL domain of human E3 ubiquitin-protein ligase TRIM71
Descriptor: E3 ubiquitin-protein ligase TRIM71, MAGNESIUM ION
Authors:Lv, M.Q, Kazy, E.H.
Deposit date:2024-10-08
Release date:2025-04-30
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Human tripartite motif-containing protein 71 NCL-1/HT2A/LIN-41 domain crystal structure and its potential natural inhibitors.
Int.J.Biol.Macromol., 309, 2025
8RD6
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BU of 8rd6 by Molmil
the C-terminal domain of TonB protein from Salmonella enterica.
Descriptor: Protein TonB
Authors:Iwai, H, Ciragan, A, Oeemig, J.S.
Deposit date:2023-12-07
Release date:2024-01-17
Method:SOLUTION NMR
Cite:The 100-protein NMR spectra dataset: A resource for biomolecular NMR data analysis.
Sci Data, 11, 2024
5Z3J
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BU of 5z3j by Molmil
Crystal Structure of Abrin A chain (Recombinant) in complex with Nicotinamide at 1.7 Angstroms
Descriptor: Abrin A-chain, IMIDAZOLE, NICOTINAMIDE
Authors:Bansia, H, Karande, A.A, Ramakumar, S.
Deposit date:2018-01-08
Release date:2019-01-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis for neutralization of cytotoxic abrin by monoclonal antibody D6F10.
FEBS J., 286, 2019
1H23
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BU of 1h23 by Molmil
Structure of acetylcholinesterase (E.C. 3.1.1.7) complexed with (S,S)-(-)-bis(12)-hupyridone at 2.15A resolution
Descriptor: (S,S)-(-)-N,N'-DI-5'-[5',6',7',8'-TETRAHYDRO- 2'(1'H)-QUINOLYNYL]-1,12-DIAMINODODECANE DIHYDROCHLORIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE
Authors:Wong, D.M, Greenblatt, H.M, Carlier, P.R, Han, Y.F, Pang, Y.P, Silman, I, Sussman, J.L.
Deposit date:2002-07-30
Release date:2002-12-23
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Acetylcholinesterase Complexed with Bivalent Ligands Related to Huperzine A: Experimental Evidence for Species-Dependent Protein-Ligand Complementarity
J.Am.Chem.Soc., 125, 2003
5AZE
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BU of 5aze by Molmil
Fab fragment of calcium-dependent antigen binding antibody, 6RL#9
Descriptor: 6RL#9 FAB HEAVY CHAIN, 6RL#9 FAB LIGHT CHAIN, CALCIUM ION
Authors:Kadono, S, Hironiwa, N, Ishii, S, Igawa, T, Hattori, K.
Deposit date:2015-10-02
Release date:2015-11-11
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Calcium-dependent antigen binding as a novel modality for antibody recycling by endosomal antigen dissociation
Mabs, 8, 2016
5Z37
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BU of 5z37 by Molmil
Crystal Structure of Abrin A chain (Recombinant) at 1.3 Angstroms
Descriptor: Abrin A-chain, IMIDAZOLE
Authors:Bansia, H, Karande, A.A, Ramakumar, S.
Deposit date:2018-01-05
Release date:2019-01-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structural basis for neutralization of cytotoxic abrin by monoclonal antibody D6F10.
FEBS J., 286, 2019
5DQF
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BU of 5dqf by Molmil
Horse Serum Albumin (ESA) in complex with Cetirizine
Descriptor: (2-{4-[(R)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid, (2-{4-[(S)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid, CHLORIDE ION, ...
Authors:Handing, K.B, Shabalin, I.G, Majorek, K.A, Chruszcz, M, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2015-09-14
Release date:2015-12-23
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure of equine serum albumin in complex with cetirizine reveals a novel drug binding site.
Mol.Immunol., 71, 2016
4ZSU
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BU of 4zsu by Molmil
Crystal structure of Brevundimonas diminuta phosphotriesterase mutant L7eP-3aG
Descriptor: COBALT (II) ION, Parathion hydrolase
Authors:Mabanglo, M.F, Raushel, F.M.
Deposit date:2015-05-14
Release date:2015-09-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.011 Å)
Cite:Variants of Phosphotriesterase for the Enhanced Detoxification of the Chemical Warfare Agent VR.
Biochemistry, 54, 2015
7LK3
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BU of 7lk3 by Molmil
Crystal structure of untwinned human GABARAPL2
Descriptor: 1,2-ETHANEDIOL, Gamma-aminobutyric acid receptor-associated protein-like 2
Authors:Scicluna, K, Dewson, G, Czabotar, P.E, Birkinshaw, R.W.
Deposit date:2021-02-01
Release date:2021-05-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A new crystal form of GABARAPL2.
Acta Crystallogr.,Sect.F, 77, 2021
7RVA
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BU of 7rva by Molmil
Updated Crystal Structure of Replication Initiator Protein REPE54.
Descriptor: DNA (5'-D(*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*T)-3'), DNA (5'-D(*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*T)-3'), MAGNESIUM ION, ...
Authors:Ward, A.R, Snow, C.D.
Deposit date:2021-08-18
Release date:2021-09-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Stabilizing DNA-Protein Co-Crystals via Intra-Crystal Chemical Ligation of the DNA
Crystals, 12, 2022
7SGC
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BU of 7sgc by Molmil
Replication Initiator Protein REPE54 and cognate DNA sequence with terminal five prime phosphates.
Descriptor: DNA (5'-D(P*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*G)-3'), DNA (5'-D(P*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*G)-3'), MAGNESIUM ION, ...
Authors:Ward, A.R, Snow, C.D.
Deposit date:2021-10-05
Release date:2021-10-13
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Stabilizing DNA-Protein Co-Crystals via Intra-Crystal Chemical Ligation of the DNA
Crystals, 12, 2022
5Z3I
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BU of 5z3i by Molmil
Crystal Structure of Abrin A chain (Recombinant) in complex with Adenine at 1.65 Angstroms
Descriptor: ADENINE, Abrin A-chain
Authors:Bansia, H, Karande, A.A, Ramakumar, S.
Deposit date:2018-01-08
Release date:2019-01-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural basis for neutralization of cytotoxic abrin by monoclonal antibody D6F10.
FEBS J., 286, 2019

245663

数据于2025-12-03公开中

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