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1EGU
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BU of 1egu by Molmil
CRYSTAL STRUCTURE OF STREPTOCOCCUS PNEUMONIAE HYALURONATE LYASE AT 1.56 A RESOLUTION
Descriptor: HYALURONATE LYASE, SULFATE ION
Authors:Li, S, Kelly, S.J, Lamani, E, Ferraroni, M, Jedrzejas, M.J.
Deposit date:2000-02-16
Release date:2001-02-16
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Structural basis of hyaluronan degradation by Streptococcus pneumoniae hyaluronate lyase.
EMBO J., 19, 2000
1EFR
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BU of 1efr by Molmil
BOVINE MITOCHONDRIAL F1-ATPASE COMPLEXED WITH THE PEPTIDE ANTIBIOTIC EFRAPEPTIN
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BOVINE MITOCHONDRIAL F1-ATPASE SUBUNIT ALPHA, BOVINE MITOCHONDRIAL F1-ATPASE SUBUNIT BETA, ...
Authors:Abrahams, J.P, Buchanan, S.K, Van Raaij, M.J, Fearnley, I.M, Leslie, A.G.W, Walker, J.E.
Deposit date:1996-05-24
Release date:1997-02-12
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:The Structure of Bovine F1-ATPase Complexed with the Peptide Antibiotic Efrapeptin.
Proc.Natl.Acad.Sci.USA, 93, 1996
4WUV
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BU of 4wuv by Molmil
Crystal Structure of a putative D-Mannonate oxidoreductase from Haemophilus influenza (Avi_5165, TARGET EFI-513796) with bound NAD
Descriptor: 1,2-ETHANEDIOL, 2-hydroxycyclohexanecarboxyl-CoA dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Yadava, U, Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C.
Deposit date:2014-11-03
Release date:2014-11-26
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.551 Å)
Cite:Crystal structure of a putative D-Mannonate oxidoreductase from Haemophilus influenza (Avi_5165, TARGET EFI-513796) with bound NAD
To be published
9UMA
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BU of 9uma by Molmil
CryoEM structure of T.thermophilus transcription initiation complex bound to Gp4A-C, -1 dA in the template DNA strand
Descriptor: CHAPSO, CYTIDINE-5'-MONOPHOSPHATE, DNA-directed RNA polymerase subunit alpha, ...
Authors:Duan, W, Kaushik, A, Serganov, A.
Deposit date:2025-04-21
Release date:2025-10-22
Last modified:2025-10-29
Method:ELECTRON MICROSCOPY (2.77 Å)
Cite:Molecular basis for noncanonical transcription initiation from Np 4 A alarmones.
Nat.Chem.Biol., 2025
9YIC
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BU of 9yic by Molmil
Crystal structure of human IL-17A in complex with Compound 1
Descriptor: (3S)-N-[(3-{[(1S)-2-anilino-1-cyclohexyl-2-oxoethyl]carbamoyl}phenyl)methyl]-2,2-dimethylthiomorpholine-3-carboxamide, Interleukin-17A
Authors:Armstrong, A.A, Milligan, C.M, Luo, J.
Deposit date:2025-10-01
Release date:2025-10-15
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:A Novel Small Molecule Allosteric Inhibitor of IL-17A From a DNA-Encoded Library
Acs Med.Chem.Lett., 2025
9WBT
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BU of 9wbt by Molmil
Crystal Structure of Escherichia coli GroEL with Magnesium Ions and a Phosphorylated Serine Residue-3.2A
Descriptor: BETA-MERCAPTOETHANOL, Chaperonin GroEL, HEXANE-1,6-DIOL, ...
Authors:Guo, Y, Zhang, L, Zheng, H, Li, J, Han, Q.
Deposit date:2025-08-15
Release date:2025-09-03
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal Structure of Escherichia coli GroEL with Magnesium Ions and a Phosphorylated Serine Residue
To Be Published
1EJN
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BU of 1ejn by Molmil
UROKINASE PLASMINOGEN ACTIVATOR B-CHAIN INHIBITOR COMPLEX
Descriptor: N-(1-ADAMANTYL)-N'-(4-GUANIDINOBENZYL)UREA, SULFATE ION, UROKINASE-TYPE PLASMINOGEN ACTIVATOR
Authors:Sperl, S, Jacob, U, Arroyo de Prada, N, Stuerzebecher, J, Wilhelm, O.G, Bode, W, Magdolen, V, Huber, R, Moroder, L.
Deposit date:2000-04-22
Release date:2000-05-17
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:(4-aminomethyl)phenylguanidine derivatives as nonpeptidic highly selective inhibitors of human urokinase.
Proc.Natl.Acad.Sci.USA, 97, 2000
9VH0
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BU of 9vh0 by Molmil
SIRT2-H187A structure in complex with H3K18myr peptide and native NAD
Descriptor: Histone H3.1, MYRISTIC ACID, NAD-dependent protein deacetylase sirtuin-2, ...
Authors:Zhang, N, Hao, Q.
Deposit date:2025-06-16
Release date:2025-09-24
Last modified:2025-10-01
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Structural basis of SIRT2 pre-catalysis NAD + binding dynamics and mechanism.
Rsc Chem Biol, 2025
9OUC
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BU of 9ouc by Molmil
Influenza A Virus Nucleoprotein(8-498)NP complex with 5-(4-(morpholinomethyl)phenyl)-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide (Compound 3)
Descriptor: 5-{4-[(morpholin-4-yl)methyl]phenyl}-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide, MAGNESIUM ION, Nucleoprotein
Authors:Mamo, M.
Deposit date:2025-05-28
Release date:2025-08-06
Last modified:2025-08-20
Method:X-RAY DIFFRACTION (2.732 Å)
Cite:Discovery and Optimization of a Novel Series of Influenza A Virus Replication Inhibitors Targeting the Nucleoprotein Protein-Protein Interaction.
J.Med.Chem., 68, 2025
9OWG
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BU of 9owg by Molmil
Crystal Structure of the Immunity Protein (52 domain-containing protein) from Pseudomonas aeruginosa PAO1.
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CARBONATE ION, ...
Authors:Minasov, G, Wawrzak, Z, Skarina, T, Stogios, P.J, Savchenko, A, Satchell, K.F, Center for Structural Biology of Infectious Diseases (CSBID)
Deposit date:2025-06-02
Release date:2025-06-18
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal Structure of the Immunity Protein (52 domain-containing protein) from Pseudomonas aeruginosa PAO1.
To Be Published
9RLM
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BU of 9rlm by Molmil
HUMAN CYCLOPHILIN D IN COMPLEX WITH INHIBITOR
Descriptor: Peptidyl-prolyl cis-trans isomerase F, mitochondrial, SULFATE ION, ...
Authors:Graedler, U.
Deposit date:2025-06-17
Release date:2025-07-02
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:HUMAN CYCLOPHILIN D IN COMPLEX WITH INHIBITOR
To Be Published
9UPT
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BU of 9upt by Molmil
Structure of AtBgl1A, a GH1 beta-Glucosidase from Acetivibrio thermocellus
Descriptor: Beta-glucosidase A, GLYCEROL
Authors:Pitchayatanakorn, P, Kongsaeree, P.T, Kongsaeree, P.
Deposit date:2025-04-29
Release date:2025-07-02
Last modified:2025-07-23
Method:X-RAY DIFFRACTION (2.369 Å)
Cite:Structure-Based Engineering to Improve Thermostability of At Bgl1A beta ‐Glucosidase.
Acs Omega, 10, 2025
9PEC
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BU of 9pec by Molmil
Cryo-EM structure of Arabidopsis thaliana Met1 (RFTS free)
Descriptor: DNA (cytosine-5)-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION
Authors:Lu, J, Chen, X, Song, J.
Deposit date:2025-07-02
Release date:2025-10-22
Method:ELECTRON MICROSCOPY (3.29 Å)
Cite:Structure and autoinhibitory regulation of MET1 in the maintenance of plant CG methylation.
Plant Cell, 2025
9PEB
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BU of 9peb by Molmil
Cryo-EM structure of Arabidopsis thaliana Met1
Descriptor: DNA (cytosine-5)-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION
Authors:Lu, J, Chen, X, Song, J.
Deposit date:2025-07-01
Release date:2025-10-22
Method:ELECTRON MICROSCOPY (3.13 Å)
Cite:Structure and autoinhibitory regulation of MET1 in the maintenance of plant CG methylation.
Plant Cell, 2025
9UKU
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BU of 9uku by Molmil
CryoEM structure of the T.thermophilus transcription initiation complex bound to Gp4A-C, -1 dC in the template DNA strand
Descriptor: CHAPSO, CYTIDINE-5'-MONOPHOSPHATE, DNA-directed RNA polymerase subunit alpha, ...
Authors:Duan, W, Kaushik, A, Serganov, A.
Deposit date:2025-04-18
Release date:2025-10-22
Last modified:2025-10-29
Method:ELECTRON MICROSCOPY (2.73 Å)
Cite:Molecular basis for noncanonical transcription initiation from Np 4 A alarmones.
Nat.Chem.Biol., 2025
9YON
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BU of 9yon by Molmil
Crystal structure of Prolyl-tRNA synthetase (ProRS, Proline--tRNA ligase) from Plasmodium falciparum in complex with inhibitor YNW69
Descriptor: CHLORIDE ION, N-[(3M)-3-(4-aminothieno[3,2-d]pyrimidin-6-yl)benzene-1-sulfonyl]-L-prolinamide, Proline--tRNA ligase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2025-10-13
Release date:2025-10-22
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Crystal structure of Prolyl-tRNA synthetase (ProRS, Proline--tRNA ligase) from Plasmodium falciparum in complex with inhibitor YNW69
To be published
9QQX
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BU of 9qqx by Molmil
Crystal Structure of 54k bound to CK2a
Descriptor: 5-[2-[4-[[3-aminocarbonyl-5-(trifluoromethyloxy)phenyl]methylamino]butoxy]ethylamino]benzo[c][2,6]naphthyridine-8-carboxamide, ACETATE ION, Casein kinase II subunit alpha
Authors:Brear, P, Glossop, P, Pandey, S, Hyvonen, M, Spring, D, Butt, R, Cawkill, D.
Deposit date:2025-04-02
Release date:2025-10-22
Last modified:2025-11-05
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Exploiting the Cryptic alpha D Pocket of Casein Kinase 2 alpha (CK2 alpha ) to Deliver Highly Potent and Selective Type 1 Inhibitors.
J.Med.Chem., 68, 2025
9SA2
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BU of 9sa2 by Molmil
The RING domain of IDOL
Descriptor: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase MYLIP, ZINC ION
Authors:Bradshaw, W.J, He, L, Guenther, F, Murphy, E.J.
Deposit date:2025-08-07
Release date:2025-09-10
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:The RING domain of IDOL
To Be Published
9V4J
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BU of 9v4j by Molmil
Prenyltransferase Ord1 Wild type-FSPP
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE, ...
Authors:Oshiro, T, Uehara, S, Ito, T, Tanaka, Y, Kodera, Y, Matsui, T.
Deposit date:2025-05-23
Release date:2025-10-01
Last modified:2025-10-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-Activity Relationship of an All-alpha-helical Prenyltransferase Reveals the Mechanism of Indole Prenylation.
Biochemistry, 64, 2025
9R9J
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BU of 9r9j by Molmil
IRAK4 in complex with inhibitor
Descriptor: Interleukin-1 receptor-associated kinase 4, ~{N}-[2-(3-methyl-3-oxidanyl-butyl)-6-(2-oxidanylpropan-2-yl)indazol-5-yl]-1-(2-methylpyridin-4-yl)pyrazole-3-carboxamide
Authors:Xue, Y, Terstiege, I, Aagaard, A.
Deposit date:2025-05-20
Release date:2025-10-01
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Generation of a potent & selective series of IRAK4 inhibitors based on a structure based, hybridization approach.
Bioorg.Med.Chem., 131, 2025
9RS2
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BU of 9rs2 by Molmil
Sesterterpene Synthase from Kitasatospora viridis in complex with the surrogate GFSPP
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, MAGNESIUM ION, ...
Authors:Li, H, Troycke, P, Yin, Z, Groll, M, Dickschat, J.S.
Deposit date:2025-06-30
Release date:2025-09-24
Last modified:2025-10-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-Guided Engineering of a Bacterial Sesterterpene Synthase for Sesterviridene Diversification.
J.Am.Chem.Soc., 147, 2025
9RFE
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BU of 9rfe by Molmil
Human ADP-ribosylhydrolase 3 (ARH3) in complex with an inhibitor
Descriptor: 2-[(2~{E})-2-[1-(4-aminophenyl)ethylidene]hydrazinyl]-6-methyl-1~{H}-pyrimidin-4-one, ACETIC ACID, ADP-ribosylhydrolase ARH3, ...
Authors:Paakkonen, J, Lehtio, L.
Deposit date:2025-06-04
Release date:2025-09-24
Last modified:2025-10-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery and Structural Optimization of 2-Hydrazinopyrimidin-4-one Analogs Inhibiting Human ADP-Ribosylhydrolase ARH3.
Acs Chem.Biol., 20, 2025
9QY7
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BU of 9qy7 by Molmil
Crystal Structure of 54e bound to CK2a
Descriptor: 5-[2-[4-[[3-chloranyl-4-(trifluoromethyloxy)phenyl]methylamino]butoxy]ethylamino]benzo[c][2,6]naphthyridine-8-carboxamide, ACETATE ION, Casein kinase II subunit alpha
Authors:Brear, P, Glossop, P, Pandey, S, Hyvonen, M, Spring, D, Butt, R, Cawkill, D.
Deposit date:2025-04-17
Release date:2025-10-22
Last modified:2025-11-05
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Exploiting the Cryptic alpha D Pocket of Casein Kinase 2 alpha (CK2 alpha ) to Deliver Highly Potent and Selective Type 1 Inhibitors.
J.Med.Chem., 68, 2025
9RV5
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BU of 9rv5 by Molmil
Crystal structure of SPSB2 SPRY domain in complex with linear TAT peptide
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, SPRY domain-containing SOCS box protein 2, ...
Authors:Lenz, C, Knapp, S, Kraemer, A, Structural Genomics Consortium (SGC)
Deposit date:2025-07-07
Release date:2025-08-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of SPSB2 SPRY domain in complex with linear TAT peptide
To Be Published
9R73
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BU of 9r73 by Molmil
Pyrin B30.2 domain, FMF mutation delta-Ile692
Descriptor: 1,2-ETHANEDIOL, Pyrin, THIOCYANATE ION
Authors:Mittl, P, Possner, D.
Deposit date:2025-05-13
Release date:2025-06-18
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Pyrin B30.2 domain, FMF mutation delta-Ile692
To Be Published

244349

數據於2025-11-05公開中

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