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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
9GR5
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BU of 9gr5 by Molmil
The MKAA-RSL - sulfonato-calix[4]arene complex
Descriptor: 25,26,27,28-tetrahydroxypentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-5,11,17,23-tetrasulfonic acid, Fucose-binding lectin protein, beta-D-fructopyranose
Authors:Mockler, N.M, Ramberg, K.O, Flood, R.J, Crowley, P.B.
Deposit date:2024-09-10
Release date:2025-03-05
Last modified:2025-03-12
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:N-Terminal Protein Binding and Disorder-to-Order Transition by a Synthetic Receptor.
Biochemistry, 64, 2025
9H1A
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BU of 9h1a by Molmil
Crystal structure of Angiotensin-1 converting enzyme N-domain in complex with dual ACE/NEP inhibitor AD014
Descriptor: (2~{S},5~{R})-5-(3-hydroxyphenyl)-1-[2-[[(2~{S})-3-(4-hydroxyphenyl)-2-sulfanyl-propanoyl]amino]ethanoyl]pyrrolidine-2-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cozier, G.E, Acharya, K.R.
Deposit date:2024-10-09
Release date:2025-04-16
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Design of Novel Mercapto-3-phenylpropanoyl Dipeptides as Dual Angiotensin-Converting Enzyme C-Domain-Selective/Neprilysin Inhibitors.
J.Med.Chem., 68, 2025
9H1C
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BU of 9h1c by Molmil
Crystal structure of Angiotensin-1 converting enzyme C-domain in complex with dual ACE/NEP inhibitor AD014
Descriptor: (2~{S},5~{R})-5-(3-hydroxyphenyl)-1-[2-[[(2~{S})-3-(4-hydroxyphenyl)-2-sulfanyl-propanoyl]amino]ethanoyl]pyrrolidine-2-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cozier, G.E, Acharya, K.R.
Deposit date:2024-10-09
Release date:2025-04-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design of Novel Mercapto-3-phenylpropanoyl Dipeptides as Dual Angiotensin-Converting Enzyme C-Domain-Selective/Neprilysin Inhibitors.
J.Med.Chem., 68, 2025
9H1E
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BU of 9h1e by Molmil
Crystal structure of Angiotensin-1 converting enzyme C-domain in complex with dual ACE/NEP inhibitor AD016
Descriptor: (2~{S})-2-[[(2~{S})-6-azanyl-2-[[(2~{S})-3-phenyl-2-sulfanyl-propanoyl]amino]hexanoyl]amino]-3-(1~{H}-indol-3-yl)propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, ...
Authors:Cozier, G.E, Acharya, K.R.
Deposit date:2024-10-09
Release date:2025-04-16
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Design of Novel Mercapto-3-phenylpropanoyl Dipeptides as Dual Angiotensin-Converting Enzyme C-Domain-Selective/Neprilysin Inhibitors.
J.Med.Chem., 68, 2025
9H1B
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BU of 9h1b by Molmil
Crystal structure of Angiotensin-1 converting enzyme N-domain in complex with dual ACE/NEP inhibitor AD015
Descriptor: (2~{S},5~{R})-5-(4-methylphenyl)-1-[2-[[(2~{S})-3-phenyl-2-sulfanyl-propanoyl]amino]ethanoyl]pyrrolidine-2-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cozier, G.E, Acharya, K.R.
Deposit date:2024-10-09
Release date:2025-04-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design of Novel Mercapto-3-phenylpropanoyl Dipeptides as Dual Angiotensin-Converting Enzyme C-Domain-Selective/Neprilysin Inhibitors.
J.Med.Chem., 68, 2025
9I2S
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BU of 9i2s by Molmil
Velvet domain of the transcriptional regulator VeA
Descriptor: Developmental and secondary metabolism regulator veA
Authors:Neumann, P, Ficner, R.
Deposit date:2025-01-22
Release date:2025-05-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Velvet domain of the transcriptional regulator VeA
To Be Published
9FUO
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BU of 9fuo by Molmil
Crystal structure of SNAr1.3 (K39A)
Descriptor: CHLORIDE ION, Chain A, DI(HYDROXYETHYL)ETHER, ...
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 (1.81 Å)
Cite:Engineered enzymes for enantioselective nucleophilic aromatic substitutions.
Nature, 639, 2025
9GP2
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BU of 9gp2 by Molmil
apoJ22.9 Unliganded structure of an Fab fragment from the therapeutic antibody J22.9-xi
Descriptor: Chains: H, Chains: L
Authors:Marino, S.F, Daumke, O.
Deposit date:2024-09-06
Release date:2024-09-25
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:apoJ22.9 Unliganded structure of an Fab fragment from the therapeutic antibody J22.9-xi
To Be Published
9G65
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BU of 9g65 by Molmil
Crystal structure of the engineered photoenzyme SpEnT1.3
Descriptor: DI(HYDROXYETHYL)ETHER, Engineered photoenzyme SpEnT1.3, MAGNESIUM ION, ...
Authors:Hardy, F.J, Roberts, G.W.
Deposit date:2024-07-18
Release date:2025-05-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Efficient and selective energy transfer photoenzymes powered by visible light.
Nat.Chem., 2025
9FYV
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BU of 9fyv by Molmil
Crystal structure of the engineered photoenzyme VEnT1.3
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, VEnT1.3
Authors:Hardy, F.J, Roberts, G.W.
Deposit date:2024-07-04
Release date:2025-05-14
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Efficient and selective energy transfer photoenzymes powered by visible light.
Nat.Chem., 2025
9H0N
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BU of 9h0n by Molmil
Fucosylated Lacto-N-biose binding protein from Bifidobacterium longum subsp. infantis in complex with Galacto-N-biose
Descriptor: Extracellular solute-binding protein, family 1, SODIUM ION, ...
Authors:Jensen, M, Hansen, M.E, Sakanaka, H, Slotboom, D.J, Abou Hachem, M, Morth, J.P.
Deposit date:2024-10-08
Release date:2025-07-02
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Uptake of fucosylated type I human milk oligosaccharide blocks by Bifidobacterium longum subsp. infantis
Mbio, 2025
9H0O
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BU of 9h0o by Molmil
Fucosylated Lacto-N-biose binding protein from Bifidobacterium longum subsp. infantis in complex with Lacto-N-biose
Descriptor: CALCIUM ION, Extracellular solute-binding protein, family 1, ...
Authors:Jensen, M, Hansen, M.E, Sakanaka, H, Slotboom, D.J, Abou Hachem, M, Morth, J.P.
Deposit date:2024-10-08
Release date:2025-07-02
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Uptake of fucosylated type I human milk oligosaccharide blocks by Bifidobacterium longum subsp. infantis
Mbio, 2025
9H0P
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BU of 9h0p by Molmil
Fucosylated Lacto-N-biose binding protein from Bifidobacterium longum subsp. infantis in complex with H1 trisaccharide
Descriptor: Extracellular solute-binding protein, family 1, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-alpha-D-glucopyranose
Authors:Jensen, M, Hansen, M.E, Sakanaka, H, Slotboom, D.J, Abou Hachem, M, Morth, J.P.
Deposit date:2024-10-08
Release date:2025-07-02
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Uptake of fucosylated type I human milk oligosaccharide blocks by Bifidobacterium longum subsp. infantis
Mbio, 2025
9FMX
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BU of 9fmx by Molmil
Aerolysin Y221G - prepore
Descriptor: Aerolysin
Authors:Iacovache, I, Zuber, B.
Deposit date:2024-06-07
Release date:2025-02-12
Last modified:2025-02-19
Method:ELECTRON MICROSCOPY (2.2 Å)
Cite:Aerolysin Nanopore Structures Revealed at High Resolution in a Lipid Environment.
J.Am.Chem.Soc., 147, 2025
9G59
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BU of 9g59 by Molmil
Pseudomonas aeruginosa periplasmic aspartic peptidase PA0462 (RloA2)
Descriptor: Putative ATP-dependent zinc protease domain-containing protein
Authors:Lormand, J.D, Sondermann, H.
Deposit date:2024-07-16
Release date:2025-04-09
Last modified:2025-04-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Secreted retropepsin-like enzymes are essential for stress tolerance and biofilm formation in Pseudomonas aeruginosa.
Biorxiv, 2025
9GJU
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BU of 9gju by Molmil
Structure of replicating Nipah Virus RNA Polymerase Complex - RNA-bound state
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Phosphoprotein, ...
Authors:Sala, F, Ditter, K, Dybkov, O, Urlaub, H, Hillen, H.S.
Deposit date:2024-08-22
Release date:2025-03-05
Last modified:2025-03-19
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural basis of Nipah virus RNA synthesis.
Nat Commun, 16, 2025
9HZ0
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BU of 9hz0 by Molmil
Protein kinase MKK7 in complex with K221 targeting compound 1
Descriptor: 5-(2~{H}-indazol-3-yl)-2-methyl-phenol, Dual specificity mitogen-activated protein kinase kinase 7
Authors:Wiese, J.N, Mueller, M.P, Rauh, D.
Deposit date:2025-01-12
Release date:2025-06-04
Last modified:2025-06-18
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Computational Design of Lysine Targeting Covalent Binders Using Rosetta.
J.Chem.Inf.Model., 65, 2025

238582

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