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9EYS
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BU of 9eys by Molmil
Structure of Far-Red Photosystem I from C. thermalis PCC 7203
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
Authors:Consoli, G, Tufaill, F, Murray, J.W, Fantuzzi, A, Rutherford, A.W.
Deposit date:2024-04-09
Release date:2025-04-23
Method:ELECTRON MICROSCOPY (2.01 Å)
Cite:Structure of Far-Red Photosystem I from C. thermalis PCC 7203
To Be Published
9FDH
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BU of 9fdh by Molmil
Closed Human phosphoglycerate kinase complex with BPG and ADP produced by cross-soaking a TSA crystal
Descriptor: 1,3-BISPHOSPHOGLYCERIC ACID, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
Authors:Cliff, M.J, Waltho, J.P, Bowler, M.W, Baxter, N.J, Bisson, C, Blackburn, G.M.
Deposit date:2024-05-17
Release date:2025-05-28
Method:X-RAY DIFFRACTION (1.756 Å)
Cite:The role of magnesium in catalysis by phosphoglycerate kinase
To be published
9FDN
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BU of 9fdn by Molmil
Human phosphoglycerate kinase in complex with ATP and 3PG formed by cross-soaking a TSA crystal
Descriptor: 3-PHOSPHOGLYCERIC ACID, ADENOSINE-5'-TRIPHOSPHATE, Phosphoglycerate kinase 1, ...
Authors:Cliff, M.J, Waltho, J.P, Bowler, M.W, Baxter, N.J, Bisson, C, Blackburn, G.M.
Deposit date:2024-05-17
Release date:2025-05-28
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:The role of magnesium in catalysis by phosphoglycerate kinase
To be published
9FFM
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BU of 9ffm by Molmil
Cryo-EM structure of the alpha1beta3 GABA(A) receptor in complex with Mb25 in the resting state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DECANE, Gamma-aminobutyric acid receptor subunit alpha-1, ...
Authors:Mihaylov, D.B, Malinauskas, T, Aricescu, A.R.
Deposit date:2024-05-23
Release date:2025-06-04
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Cryo-EM structure of the alpha1beta3 GABA(A) receptor in complex with Mb25 in the resting state
To Be Published
9FF2
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BU of 9ff2 by Molmil
Cryo-EM structure of the beta3 homomeric GABA(A) receptor in complex with HSM in the long-lived symmetric desensitised state (C1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Mihaylov, D.B, Malinauskas, T, Aricescu, A.R.
Deposit date:2024-05-21
Release date:2025-06-04
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Cryo-EM structure of the beta3 homomeric GABA(A) receptor in complex with HSM in the long-lived symmetric desensitised state (C1)
To Be Published
9FEZ
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BU of 9fez by Molmil
Cryo-EM structure of the beta3 homomeric GABA(A) receptor in complex with HSM in the short-lived asymmetric pre-active state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid receptor subunit beta-3, ...
Authors:Mihaylov, D.B, Malinauskas, T, Aricescu, A.R.
Deposit date:2024-05-21
Release date:2025-06-04
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM structure of the beta3 homomeric GABA(A) receptor in complex with HSM in the short-lived asymmetric pre-active state
To Be Published
9FFN
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BU of 9ffn by Molmil
Cryo-EM structure of the alpha1beta3 GABA(A) receptor in complex with GABA and Mb25 in the short-lived asymmetric pre-active 1 state of branch 1
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Mihaylov, D.B, Malinauskas, T, Aricescu, A.R.
Deposit date:2024-05-23
Release date:2025-06-04
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cryo-EM structure of the alpha1beta3 GABA(A) receptor in complex with GABA and Mb25 in the short-lived asymmetric pre-active 1 state of branch 1
To Be Published
9G3U
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BU of 9g3u by Molmil
Crystal Structure of the artificial protein METP in complex with cadmium ion at different temperatures. Room temperature data collection
Descriptor: CADMIUM ION, METP artificial protein
Authors:Di Costanzo, L, La Gatta, S, Chino, M.
Deposit date:2024-07-12
Release date:2024-12-04
Last modified:2025-01-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural insights into temperature-dependent dynamics of METPsc1, a miniaturized electron-transfer protein.
J.Inorg.Biochem., 264, 2025
9G3C
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BU of 9g3c by Molmil
Crystal Structure of the artificial protein METP in complex with cadmium ion at different temperatures. 200 K data collection
Descriptor: CADMIUM ION, METP artificial protein
Authors:Di Costanzo, L, La Gatta, S, Chino, M.
Deposit date:2024-07-12
Release date:2024-12-04
Last modified:2025-01-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural insights into temperature-dependent dynamics of METPsc1, a miniaturized electron-transfer protein.
J.Inorg.Biochem., 264, 2025
9G39
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BU of 9g39 by Molmil
Crystal Structure of the artificial protein METP in complex with cadmium ion at different temperature (data set at 100 K)
Descriptor: CADMIUM ION, METP ARTIFICIAL PROTEIN
Authors:Di Costanzo, L, La Gatta, S, Chino, M.
Deposit date:2024-07-11
Release date:2024-12-04
Last modified:2025-01-22
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Structural insights into temperature-dependent dynamics of METPsc1, a miniaturized electron-transfer protein.
J.Inorg.Biochem., 264, 2025
9GBF
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BU of 9gbf by Molmil
X-RAY structure of PHDvC5HCH tandem domain of NSD2
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, Histone-lysine N-methyltransferase NSD2, ...
Authors:Musco, G, Cocomazzi, P, Berardi, A, Knapp, S, Kramer, A.
Deposit date:2024-07-31
Release date:2024-12-18
Last modified:2025-01-22
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:The C-terminal PHDVC5HCH tandem domain of NSD2 is a combinatorial reader of unmodified H3K4 and tri-methylated H3K27 that regulates transcription of cell adhesion genes in multiple myeloma.
Nucleic Acids Res., 53, 2025
9FUL
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BU of 9ful by Molmil
Crystal structure of SNAr1.3 in complex with iodide
Descriptor: Chain A, IODIDE ION, TETRAETHYLENE GLYCOL
Authors:Roberts, G.R, Leys, D.
Deposit date:2024-06-26
Release date:2025-01-29
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Engineered enzymes for enantioselective nucleophilic aromatic substitutions.
Nature, 639, 2025
9FYU
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BU of 9fyu by Molmil
Crystal structure of the engineered photoenzyme VEnT1.0
Descriptor: 1,2-ETHANEDIOL, Diisopropyl-fluorophosphatase
Authors:Hardy, F.J, Roberts, G.W.
Deposit date:2024-07-04
Release date:2025-05-14
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Efficient and selective energy transfer photoenzymes powered by visible light.
Nat.Chem., 2025
9G8K
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BU of 9g8k by Molmil
Structure of K+-dependent Na+-PPase from Thermotoga maritima in complex with Ca2+ and Etidronate
Descriptor: (1-hydroxyethane-1,1-diyl)bis(phosphonic acid), CALCIUM ION, DODECYL-BETA-D-MALTOSIDE, ...
Authors:Vidilaseris, K, Liu, J, Goldman, A.
Deposit date:2024-07-23
Release date:2025-06-04
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Conformational dynamics and asymmetry in multimodal inhibition of membrane-bound pyrophosphatases
Elife, 2024
9GCA
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BU of 9gca by Molmil
Crystal structure of Pseudomonas aeruginosa IspD in complex with C8H8N2O
Descriptor: 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, 6-methyl-5~{H}-pyrrolo[3,4-b]pyridin-7-one
Authors:Borel, F, D'Auria, L.
Deposit date:2024-08-01
Release date:2025-06-11
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Fragment Discovery by X-Ray Crystallographic Screening Targeting the CTP Binding Site of Pseudomonas Aeruginosa IspD.
Angew.Chem.Int.Ed.Engl., 64, 2025
9GFY
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BU of 9gfy by Molmil
Endothiapepsin in complex with pepstatin soaked at pH 7.6
Descriptor: DIMETHYL SULFOXIDE, Endothiapepsin, PENTAETHYLENE GLYCOL, ...
Authors:Mueller, J.M, Glinca, S.
Deposit date:2024-08-12
Release date:2025-06-11
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Protonation Effects in Protein-Ligand Complexes - A Case Study of Endothiapepsin and Pepstatin A with Computational and Experimental Methods.
Chemmedchem, 20, 2025
9G6U
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BU of 9g6u by Molmil
p53-Y220C Core Domain Covalently Bound to 3,5-Dichloro-6-Ethylpyrazine-2-carbonitirle Soaked at 5 mM
Descriptor: 1,2-ETHANEDIOL, 3,5-bis(chloranyl)-6-ethyl-pyrazine-2-carbonitrile, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Stahlecker, J, Klett, T, Stehle, T, Boeckler, F.M.
Deposit date:2024-07-19
Release date:2025-06-11
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:SNAr Reactive Pyrazine Derivatives as p53-Y220C Cleft Binders with Diverse Binding Modes
Drug Des Devel Ther, 2025
9GC8
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BU of 9gc8 by Molmil
Crystal structure of Pseudomonas aeruginosa IspD in complex with C11H12N2O3
Descriptor: 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, methyl 2-[(5~{R})-6-methyl-7-oxidanylidene-5~{H}-pyrrolo[3,4-b]pyridin-5-yl]ethanoate
Authors:Borel, F, D'Auria, L.
Deposit date:2024-08-01
Release date:2025-06-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Fragment Discovery by X-Ray Crystallographic Screening Targeting the CTP Binding Site of Pseudomonas Aeruginosa IspD.
Angew.Chem.Int.Ed.Engl., 64, 2025
9G6T
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BU of 9g6t by Molmil
p53-Y220C Core Domain Covalently Bound to 5-Chloro-6-methylpyrazine-2-carbonitrile Soaked at 5 mM
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-chloranyl-6-methyl-pyrazine-2-carbonitrile, ...
Authors:Stahlecker, J, Klett, T, Stehle, T, Boeckler, F.M.
Deposit date:2024-07-19
Release date:2025-06-11
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:SNAr Reactive Pyrazine Derivatives as p53-Y220C Cleft Binders with Diverse Binding Modes
Drug Des Devel Ther, 2025
9H4A
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BU of 9h4a by Molmil
Ribonuclease-three Like 4 crystallization and structure determination at room temperature in the CrystalChip
Descriptor: Protein NUCLEAR FUSION DEFECTIVE 2
Authors:Engilberge, S, Vincent, R, Coudray, L, Nilles, L, Scheer, H, Ritzenthaler, C, Sauter, C.
Deposit date:2024-10-18
Release date:2024-12-11
Last modified:2025-04-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Protein crystallization and structure determination at room temperature in the CrystalChip.
Febs Open Bio, 15, 2025
9HKW
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BU of 9hkw by Molmil
Cryo-EM structure of Pseudomonas aeruginosa tetrameric S-adenosyl-L-homocysteine hydrolase with 3 open and 1 closed subunits
Descriptor: ADENOSINE, Adenosylhomocysteinase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Malecki, P.H, Wozniak, K, Ruszkowski, M, Brzezinski, K.
Deposit date:2024-12-04
Release date:2025-02-19
Method:ELECTRON MICROSCOPY (2.85 Å)
Cite:Cryo-EM structure of Pseudomonas aeruginosa tetrameric S-adenosyl-L-homocysteine hydrolase with 3 open and 1 closed subunits
To Be Published
9HKY
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BU of 9hky by Molmil
Cryo-EM structure of Pseudomonas aeruginosa tetrameric S-adenosyl-L-homocysteine hydrolase with 2 open and 2 closed subunits
Descriptor: ADENOSINE, Adenosylhomocysteinase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Malecki, P.H, Wozniak, K, Ruszkowski, M, Brzezinski, K.
Deposit date:2024-12-04
Release date:2025-02-19
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:Cryo-EM struture of Pseudomonas aeruginosa tetrameric S-adenosyl-L-homocysteine hydrolase with 2 open and 2 closed subunits
To Be Published
9HKZ
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BU of 9hkz by Molmil
Cryo-EM structure of Pseudomonas aeruginosa tetrameric S-adenosyl-L-homocysteine hydrolase with 2 wide open, 1 open and 1 closed subunits
Descriptor: ADENOSINE, Adenosylhomocysteinase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Malecki, P.H, Wozniak, K, Ruszkowski, M, Brzezinski, K.
Deposit date:2024-12-04
Release date:2025-02-19
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cryo-EM structure of Pseudomonas aeruginosa tetrameric S-adenosyl-L-homocysteine hydrolase with 2 wide open, 1 open and 1 closed subunits
To Be Published
9HKX
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BU of 9hkx by Molmil
Cryo-EM structure of Pseudomonas aeruginosa tetrameric S-adenosyl-L-homocysteine hydrolase with 1 open and 3 closed subunits
Descriptor: ADENOSINE, Adenosylhomocysteinase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Malecki, P.H, Wozniak, K, Ruszkowski, M, Brzezinski, K.
Deposit date:2024-12-04
Release date:2025-02-19
Method:ELECTRON MICROSCOPY (2.83 Å)
Cite:Cryo-EM structure of Pseudomonas aeruginosa tetrameric S-adenosyl-L-homocysteine hydrolase with 1 open and 3 closed subunits
To Be Published
9HKV
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BU of 9hkv by Molmil
Cryo-EM structure of Pseudomonas aeruginosa tetrameric S-adenosyl-L-homocysteine hydrolase in the fully open state
Descriptor: Adenosylhomocysteinase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Malecki, P.H, Wozniak, K, Ruszkowski, M, Brzezinski, K.
Deposit date:2024-12-04
Release date:2025-02-19
Method:ELECTRON MICROSCOPY (2.88 Å)
Cite:Cryo-EM structure of Pseudomonas aeruginosa tetrameric S-adenosyl-L-homocysteine hydrolase in the fully open state
To Be Published

238582

數據於2025-07-09公開中

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