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5JSO
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BU of 5jso by Molmil
Structures of DddQ from Ruegeria lac. Reveal Key Residues for Metal Binding and Catalysis - TRIS bound
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Dimethlysulfonioproprionate lyase DddQ, ...
Authors:Brummett, A.E, Dey, M.
Deposit date:2016-05-09
Release date:2017-02-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:New Mechanistic Insight from Substrate- and Product-Bound Structures of the Metal-Dependent Dimethylsulfoniopropionate Lyase DddQ.
Biochemistry, 55, 2016
9BD0
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BU of 9bd0 by Molmil
Solution Structure of a Disulfide Insertion Mutant of S. aureus SPIN
Descriptor: Myeloperoxidase inhibitor SPIN
Authors:Mishra, N.B, Prakash, O, Geisbrecht, B.V.
Deposit date:2024-04-10
Release date:2024-05-29
Last modified:2024-07-03
Method:SOLUTION NMR
Cite:Staphylococcal peroxidase inhibitor (SPIN): Investigation of the inhibitory N-terminal domain via a stabilizing disulfide insertion.
Arch.Biochem.Biophys., 758, 2024
9B90
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BU of 9b90 by Molmil
Cryo-EM structure of the human TRPM4 channel in complex with calcium and ATP at 37 degrees Celsius
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, Transient receptor potential cation channel subfamily M member 4
Authors:Hu, J, Lu, W, Du, J.
Deposit date:2024-04-01
Release date:2024-05-15
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Physiological temperature drives TRPM4 ligand recognition and gating.
Nature, 630, 2024
9BVV
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BU of 9bvv by Molmil
NMR structure of TLP-3 in solution
Descriptor: Temporin-1Tl
Authors:Jia, R, McShan, A.C.
Deposit date:2024-05-20
Release date:2024-06-05
Method:SOLUTION NMR
Cite:Design and Development of Temporin L Analogues to Inhibit the Main Protease of SARS-CoV-2
To Be Published
9B93
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BU of 9b93 by Molmil
Cryo-EM structure of the human TRPM4 channel in the presence of EDTA at 37 degrees Celsius
Descriptor: Transient receptor potential cation channel subfamily M member 4
Authors:Hu, J, Lu, W, Du, J.
Deposit date:2024-04-01
Release date:2024-05-15
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Physiological temperature drives TRPM4 ligand recognition and gating.
Nature, 630, 2024
9B3D
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BU of 9b3d by Molmil
mDia1 in the middle of F-actin
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Palmer, N.J, Barrie, K.R, Dominguez, R.
Deposit date:2024-03-19
Release date:2024-05-29
Last modified:2024-08-21
Method:ELECTRON MICROSCOPY (3.41 Å)
Cite:Mechanisms of actin filament severing and elongation by formins.
Nature, 632, 2024
9BKT
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BU of 9bkt by Molmil
Crystal structure of rubredoxin from Pyrococcus furiosus reconstituted with FeSO4 solved by Fe/S-SAD
Descriptor: FE (II) ION, Rubredoxin
Authors:Zhou, D, Chen, L, Rose, J.P, Wang, B.C.
Deposit date:2024-04-29
Release date:2024-06-05
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of rubredoxin from Pyrococcus furiosus reconstituted with FeSO4 solved by Fe/S-SAD
To Be Published
5JXF
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BU of 5jxf by Molmil
Crystal structure of Flavobacterium psychrophilum DPP11 in complex with dipeptide Arg-Asp
Descriptor: ARGININE, ASPARTIC ACID, Asp/Glu-specific dipeptidyl-peptidase, ...
Authors:Bezerra, G.A, Fedosyuk, S, Ohara-Nemoto, Y, Nemoto, T.K, Djinovic-Carugo, K.
Deposit date:2016-05-13
Release date:2017-06-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Bacterial protease uses distinct thermodynamic signatures for substrate recognition.
Sci Rep, 7, 2017
9BN9
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BU of 9bn9 by Molmil
Crystal Structure of UDP-N-acetylmuramoylalanine--D-glutamate ligase (MurD) from E. coli in complex with UMA and two inhibitor A19 molecules
Descriptor: CHLORIDE ION, GLYCEROL, N-(4-{[(4S)-3-amino[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}phenyl)acetamide, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2024-05-02
Release date:2024-05-15
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Crystal Structure of UDP-N-acetylmuramoylalanine--D-glutamate ligase (MurD) from E. coli in complex with UMA and two inhibitor A19 molecules
To be published
6T7H
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BU of 6t7h by Molmil
Crystal structure of Thrombin in complex with macrocycle N14-PR4-A
Descriptor: (14S,17R)-14-(3-carbamimidamidopropyl)-3-(furan-2-ylmethyl)-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(25),7,9,21,23-pentaene-17-carboxamide, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Angelini, A, Kumar, M.G, Heinis, C, Cendron, L.
Deposit date:2019-10-22
Release date:2020-09-30
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Macrocycle synthesis strategy based on step-wise "adding and reacting" three components enables screening of large combinatorial libraries.
Chem Sci, 11, 2020
9B3R
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BU of 9b3r by Molmil
The structure of human cardiac F-actin
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha cardiac muscle 1, ...
Authors:Doran, M.H, Sousa, D, Rynkiewicz, M.J, Lehman, W, Cammarato, A.
Deposit date:2024-03-20
Release date:2024-05-29
Last modified:2025-06-11
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:The hypertrophic cardiomyopathy-associated A331P actin variant enhances basal contractile activity and elicits resting muscle dysfunction.
Iscience, 28, 2025
9BKG
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BU of 9bkg by Molmil
Crystal structure of selenomethionine labeled bovine trypsin mutant - S195A solved by Sulphur-SAD at 1.54A wavelength
Descriptor: Serine protease 1
Authors:Zhou, D, Chen, L, Rose, J.P, Wang, B.C.
Deposit date:2024-04-27
Release date:2024-06-05
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Crystal structure of selenomethionine labeled bovine trypsin mutant - S195A solved by Sulphur-SAD at 1.54A wavelength
To Be Published
5JZI
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BU of 5jzi by Molmil
Crystal structure of 1406 TCR bound to HLA-A2 with HCV 1406-1415 antigen peptide
Descriptor: Beta-2-microglobulin, HCV1406 TCR alpha chain, HCV1406 TCR beta chain, ...
Authors:Wang, Y, Piepenbrink, K.H, Baker, B.M.
Deposit date:2016-05-16
Release date:2017-05-31
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:How an alloreactive T-cell receptor achieves peptide and MHC specificity.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
9BJU
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BU of 9bju by Molmil
Crystal structure of the complex between VHL, ElonginB, ElonginC, and compound 5
Descriptor: 1,2-ETHANEDIOL, 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, ACETATE ION, ...
Authors:Murray, J.M, Wu, H, Fuhrmann, J, Fairbrother, W.J, DiPasquale, A.
Deposit date:2024-04-25
Release date:2024-05-29
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Potency-Enhanced Peptidomimetic VHL Ligands with Improved Oral Bioavailability.
J.Med.Chem., 67, 2024
5K0J
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BU of 5k0j by Molmil
Crystal Structure of COMT in complex with 5-[5-[1-(4-methoxyphenyl)cyclopropyl]-1H-pyrazol-3-yl]-2,4-dimethyl-1,3-thiazole
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 5-{3-[1-(4-methoxyphenyl)cyclopropyl]-1H-pyrazol-5-yl}-2,4-dimethyl-1,3-thiazole, Catechol O-methyltransferase, ...
Authors:Ehler, A, Rodriguez-Sarmiento, R.M, Rudolph, M.G.
Deposit date:2016-05-17
Release date:2016-09-07
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket.
J. Med. Chem., 59, 2016
1L0V
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BU of 1l0v by Molmil
Quinol-Fumarate Reductase with Menaquinol Molecules
Descriptor: FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Iverson, T.M, Luna-Chavez, C, Croal, L.R, Cecchini, G, Rees, D.C.
Deposit date:2002-02-13
Release date:2002-03-13
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Crystallographic studies of the Escherichia coli quinol-fumarate reductase with inhibitors bound to the quinol-binding site.
J.Biol.Chem., 277, 2002
9BB5
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BU of 9bb5 by Molmil
Backbone Modification in the GA Module of Protein PAB: ACPC residues at positions 22 and 26
Descriptor: Peptostreptococcal albumin-binding protein
Authors:Lin, Y, Horne, W.S.
Deposit date:2024-04-05
Release date:2024-06-05
Last modified:2024-08-21
Method:SOLUTION NMR
Cite:Backbone Modification in a Protein Hydrophobic Core.
Chemistry, 30, 2024
8HSI
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BU of 8hsi by Molmil
Cryo-EM structure of human TMEM87A, PE-bound
Descriptor: (1S)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ...
Authors:Han, A, Kim, H.M.
Deposit date:2022-12-19
Release date:2023-12-27
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:GolpHCat (TMEM87A), a unique voltage-dependent cation channel in Golgi apparatus, contributes to Golgi-pH maintenance and hippocampus-dependent memory.
Nat Commun, 15, 2024
9BVU
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BU of 9bvu by Molmil
NMR structure of TLP-2 in solution
Descriptor: Temporin-1Tl
Authors:Jia, R, McShan, A.C.
Deposit date:2024-05-20
Release date:2024-06-05
Method:SOLUTION NMR
Cite:Design and Development of Temporin L Analogues to Inhibit the Main Protease of SARS-CoV-2
To Be Published
9B8Z
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BU of 9b8z by Molmil
Cryo-EM structure of the human TRPM4 channel subunit in complex with calcium and decavanadate at 37 degrees Celsius
Descriptor: CALCIUM ION, DECAVANADATE, Transient receptor potential cation channel subfamily M member 4
Authors:Hu, J, Lu, W, Du, J.
Deposit date:2024-04-01
Release date:2024-05-15
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Physiological temperature drives TRPM4 ligand recognition and gating.
Nature, 630, 2024
9BN8
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BU of 9bn8 by Molmil
Crystal Structure of UDP-N-acetylmuramoylalanine--D-glutamate ligase (MurD) from E. coli in complex with UMA and inhibitor A19
Descriptor: GLYCEROL, N-(4-{[(4S)-3-amino[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}phenyl)acetamide, SULFATE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2024-05-02
Release date:2024-05-15
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Crystal Structure of UDP-N-acetylmuramoylalanine--D-glutamate ligase (MurD) from E. coli in complex with UMA and inhibitor A19
To be published
5K27
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BU of 5k27 by Molmil
Crystal structure of ancestral protein ancMT of ADP-dependent sugar kinases family.
Descriptor: ADENOSINE MONOPHOSPHATE, IODIDE ION, ancMT
Authors:Castro-Fernandez, V, Herrera-Morande, A, Zamora, R, Merino, F, Pereira, H.M, Brandao-Neto, J, Garratt, R, Guixe, V.
Deposit date:2016-05-18
Release date:2017-05-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Reconstructed ancestral enzymes reveal that negative selection drove the evolution of substrate specificity in ADP-dependent kinases.
J. Biol. Chem., 292, 2017
9BB7
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BU of 9bb7 by Molmil
Backbone Modification in the GA Module of Protein PAB: ACPC residues at positions 5 and 39, beta3 residue at position 26
Descriptor: Peptostreptococcal albumin-binding protein
Authors:Lin, Y, Horne, W.S.
Deposit date:2024-04-05
Release date:2024-06-05
Last modified:2024-08-21
Method:SOLUTION NMR
Cite:Backbone Modification in a Protein Hydrophobic Core.
Chemistry, 30, 2024
9BUN
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BU of 9bun by Molmil
RhoBAST aptamer RNA in complex with 5(6)-carboxytetramethylrhodamine
Descriptor: 5-carboxy methylrhodamine, IRIDIUM HEXAMMINE ION, RNA (48-MER)
Authors:Batey, R.T, Siwik, S.H.
Deposit date:2024-05-17
Release date:2024-06-05
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of RhoBAST RNA aptamer in complex with 5(6)-carboxytetramethylrhodamine (TAMRA)
To Be Published
5K2S
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BU of 5k2s by Molmil
Lysozyme with nano particles
Descriptor: Lysozyme C
Authors:Ko, S, Choe, J.
Deposit date:2016-05-19
Release date:2017-05-31
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of lysozyme with nano particles
To Be Published

238582

数据于2025-07-09公开中

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