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5JXA
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BU of 5jxa by Molmil
Crystal structure of ligand-free VRC03 antigen-binding fragment.
Descriptor: 1,2-ETHANEDIOL, COPPER (II) ION, PHOSPHATE ION, ...
Authors:Zhou, T, Moquin, S, Joyce, M.G, Mascola, J.R, Kwong, P.D.
Deposit date:2016-05-12
Release date:2016-07-27
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Somatic Hypermutation-Induced Changes in the Structure and Dynamics of HIV-1 Broadly Neutralizing Antibodies.
Structure, 24, 2016
9BKO
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BU of 9bko by Molmil
DHODH in complex with Ligand 26
Descriptor: (2P,6P)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-7-fluoro-2-(2-methylphenyl)-4-[(2R)-1,1,1-trifluoropropan-2-yl]isoquinolin-1(2H)-one, ACETATE ION, CHLORIDE ION, ...
Authors:Shaffer, P.L.
Deposit date:2024-04-29
Release date:2024-07-03
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Discovery of JNJ-74856665: A Novel Isoquinolinone DHODH Inhibitor for the Treatment of AML.
J.Med.Chem., 67, 2024
2INZ
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BU of 2inz by Molmil
Crystal Structure of Aldose Reductase complexed with 2-Hydroxyphenylacetic Acid
Descriptor: (2-HYDROXYPHENYL)ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Harrison, D.H.T, Pape, E, Carlson, E, Brownlee, J.M.
Deposit date:2006-10-09
Release date:2006-11-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural and thermodynamic studies of simple aldose reductase-inhibitor complexes.
Bioorg.Chem., 34, 2006
5K0G
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BU of 5k0g by Molmil
Crystal Structure of COMT in complex with 4-[5-[1-(4-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-1,3-dimethylpyrazole
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 5-[(1S)-1-(4-methoxyphenyl)ethyl]-1',3'-dimethyl-1'H,2H-3,4'-bipyrazole, 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 (1.89 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
9BIY
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BU of 9biy by Molmil
Crystal structure of the periplasmic domain of IgaA from Escherichia coli
Descriptor: Intracellular growth attenuator protein igaA, Outer membrane lipoprotein RcsF
Authors:Watanabe, N, Savchenko, A, Center for Structural Biology of Infectious Diseases (CSBID), Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2024-04-24
Release date:2024-07-17
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular insights into the initiation step of the Rcs signaling pathway.
Structure, 32, 2024
2IO5
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BU of 2io5 by Molmil
Crystal structure of the CIA- histone H3-H4 complex
Descriptor: ASF1A protein, Histone H3.1, Histone H4
Authors:Natsume, R, Akai, Y, Horikoshi, M, Senda, T.
Deposit date:2006-10-10
Release date:2007-02-27
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure and function of the histone chaperone CIA/ASF1 complexed with histones H3 and H4.
Nature, 446, 2007
9BIZ
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BU of 9biz by Molmil
Crystal structure of the periplasmic domain of IgaA from Klebsiella pneumoniae
Descriptor: Intracellular growth attenuator protein igaA
Authors:Watanabe, N, Savchenko, A, Center for Structural Biology of Infectious Diseases (CSBID), Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2024-04-24
Release date:2024-07-17
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular insights into the initiation step of the Rcs signaling pathway.
Structure, 32, 2024
6T2K
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BU of 6t2k by Molmil
Furano[2,3-d]prymidine amides as Notum inhibitors
Descriptor: 1,2-ETHANEDIOL, 2-(6-chloranyl-7-cyclopropyl-thieno[3,2-d]pyrimidin-4-yl)sulfanylethanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhao, Y, Jones, E.Y.
Deposit date:2019-10-08
Release date:2020-01-01
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Scaffold-hopping identifies furano[2,3-d]pyrimidine amides as potent Notum inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
5XWD
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BU of 5xwd by Molmil
Crystal structure of the complex of 059-152-Fv and EGFR-ECD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Epidermal growth factor receptor, ...
Authors:Matsuda, T, Ito, T, Shirouzu, M.
Deposit date:2017-06-29
Release date:2018-02-28
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.894 Å)
Cite:Cell-free synthesis of functional antibody fragments to provide a structural basis for antibody-antigen interaction
PLoS ONE, 13, 2018
9BJ0
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BU of 9bj0 by Molmil
Crystal structure of the periplasmic domain of IgaA from Escherichia coli
Descriptor: Intracellular growth attenuator protein igaA
Authors:Watanabe, N, Savchenko, A, Center for Structural Biology of Infectious Diseases (CSBID), Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2024-04-24
Release date:2024-07-17
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Molecular insights into the initiation step of the Rcs signaling pathway.
Structure, 32, 2024
2IOD
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BU of 2iod by Molmil
Binding of two substrate analogue molecules to dihydroflavonol-4-reductase alters the functional geometry of the catalytic site
Descriptor: 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, Dihydroflavonol 4-reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Petit, P, Langlois d'Estaintot, B, Granier, T, Gallois, B.
Deposit date:2006-10-10
Release date:2007-09-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Binding of two substrate analogue molecules to dihydroflavonol-4-reductase alters the functional geometry of the catalytic site
To be Published
2IPI
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BU of 2ipi by Molmil
Crystal Structure of Aclacinomycin Oxidoreductase
Descriptor: Aclacinomycin oxidoreductase (AknOx), FLAVIN-ADENINE DINUCLEOTIDE, METHYL (2S,4R)-2-ETHYL-2,5,7-TRIHYDROXY-6,11-DIOXO-4-{[2,3,6-TRIDEOXY-4-O-{2,6-DIDEOXY-4-O-[(2S,6S)-6-METHYL-5-OXOTETRAHYDRO-2H -PYRAN-2-YL]-ALPHA-D-LYXO-HEXOPYRANOSYL}-3-(DIMETHYLAMINO)-D-RIBO-HEXOPYRANOSYL]OXY}-1,2,3,4,6,11-HEXAHYDROTETRACENE-1-C ARBOXYLATE
Authors:Sultana, A, Kursula, I, Schneider, G, Alexeev, I, Niemi, J, Mantsala, P.
Deposit date:2006-10-12
Release date:2007-01-23
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure determination by multiwavelength anomalous diffraction of aclacinomycin oxidoreductase: indications of multidomain pseudomerohedral twinning.
Acta Crystallogr.,Sect.D, 63, 2007
5JYK
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BU of 5jyk by Molmil
Deg9 crystal under 289K
Descriptor: GLYCEROL, Protease Do-like 9
Authors:Ouyang, M, Zhang, L.X.
Deposit date:2016-05-14
Release date:2017-05-31
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.297 Å)
Cite:The crystal structure of Deg9 reveals a novel octameric-type HtrA protease
Nat Plants, 3, 2017
6THP
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BU of 6thp by Molmil
Neprilysin in complex with the inhibitor (R)-4-(1-carboxy-3-(3'-chlorobiphenyl-4-yl)propan-2-ylamino)-4-oxobutanoic acid
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[[(2~{R})-1-[4-(3-chlorophenyl)phenyl]-4-oxidanyl-4-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoic acid, Neprilysin, ...
Authors:Schiering, N, Wiesmann, C.
Deposit date:2019-11-21
Release date:2020-02-12
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Structure-Guided Design of Substituted Biphenyl Butanoic Acid Derivatives as Neprilysin Inhibitors.
Acs Med.Chem.Lett., 11, 2020
9B9M
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BU of 9b9m by Molmil
Crystal structure of iron-bound FlcD from Pseudomonas aeruginosa
Descriptor: FE (II) ION, Pyrroloquinoline quinone (Coenzyme PQQ) biosynthesis protein C
Authors:Walker, M.E, Grove, T.L, Li, B, Redinbo, M.R.
Deposit date:2024-04-02
Release date:2024-07-31
Last modified:2024-09-18
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structural Basis for Methine Excision by a Heme Oxygenase-like Enzyme.
Acs Cent.Sci., 10, 2024
5JZ8
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BU of 5jz8 by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH)oxygenase and TPR domains in complex with manganese, N-oxalylglycine, and factor X substrate peptide fragment (39mer)
Descriptor: ACETATE ION, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ...
Authors:McDonough, M.A, Pfeffer, I.
Deposit date:2016-05-16
Release date:2017-05-24
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.095 Å)
Cite:Aspartate/asparagine-beta-hydroxylase crystal structures reveal an unexpected epidermal growth factor-like domain substrate disulfide pattern.
Nat Commun, 10, 2019
9BUJ
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BU of 9buj by Molmil
Structure of PfPL1 from Pseudoalteromonas fuliginea
Descriptor: CALCIUM ION, Pectate lyase
Authors:Boraston, A.B, Hobbs, J.K.
Deposit date:2024-05-17
Release date:2024-07-10
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:The structure of a pectin-active family 1 polysaccharide lyase from the marine bacterium Pseudoalteromonas fuliginea.
Acta Crystallogr.,Sect.F, 80, 2024
8HPV
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BU of 8hpv by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron Prototype S-trimer in complex with fab L4.65 and L5.34
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S2', fab L4.65, ...
Authors:Gao, G.F, Liu, S.
Deposit date:2022-12-13
Release date:2024-01-31
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (2.65 Å)
Cite:Dosing interval regimen shapes potency and breadth of antibody repertoire after vaccination of SARS-CoV-2 RBD protein subunit vaccine.
Cell Discov, 9, 2023
9BIU
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BU of 9biu by Molmil
Cryo-EM structure of the mammalian peptide transporter PepT2 bound to cloxacillin, pose 2
Descriptor: CLOXACILLIN, Solute carrier family 15 member 2, nanobody
Authors:Parker, J.L, Deme, J.C, Lea, S.M, Newstead, S.
Deposit date:2024-04-24
Release date:2024-07-24
Last modified:2025-06-04
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural basis for antibiotic transport and inhibition in PepT2.
Nat Commun, 15, 2024
9BIB
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BU of 9bib by Molmil
Rat GluN1-GluN2B NMDA receptor channel in complex with glycine, glutamate, and EU-1622-A, in open-channel conformation, C1 symmetry
Descriptor: GLUTAMIC ACID, GLYCINE, Glutamate receptor, ...
Authors:Chou, T.-H, Furukawa, H.
Deposit date:2024-04-23
Release date:2024-07-31
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.81 Å)
Cite:Molecular mechanism of ligand gating and opening of NMDA receptor.
Nature, 632, 2024
5JZE
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BU of 5jze by Molmil
Erve virus viral OTU domain protease in complex with mouse ISG15
Descriptor: CITRATE ANION, RNA-dependent RNA polymerase, Ubiquitin-like protein ISG15, ...
Authors:Deaton, M.K, Dzimianski, J.V, Pegan, S.D.
Deposit date:2016-05-16
Release date:2016-10-19
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Biochemical and Structural Insights into the Preference of Nairoviral DeISGylases for Interferon-Stimulated Gene Product 15 Originating from Certain Species.
J.Virol., 90, 2016
2IT9
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BU of 2it9 by Molmil
Crystal structure of a protein with unknown function from DUF155 family (YP_292156.1) from Prochlorococcus sp. NATL2A at 1.80 A resolution
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2006-10-19
Release date:2006-11-28
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of hypothetical protein (YP_292156.1) from Prochlorococcus sp. NATL2A at 1.80 A resolution
To be published
9B9N
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BU of 9b9n by Molmil
Crystal structure of FlcD from Pseudomonas aeruginosa bound to iron (II) and substrate
Descriptor: (2R)-2-{[(2Z)-2-(hydroxyimino)ethyl]sulfanyl}butanedioic acid, FE (III) ION, Pyrroloquinoline quinone (Coenzyme PQQ) biosynthesis protein C
Authors:Walker, M.E, Grove, T.L, Li, B, Redinbo, M.R.
Deposit date:2024-04-02
Release date:2024-07-31
Last modified:2024-09-18
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Structural Basis for Methine Excision by a Heme Oxygenase-like Enzyme.
Acs Cent.Sci., 10, 2024
5K00
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BU of 5k00 by Molmil
MELK in complex with NVS-MELK5
Descriptor: 4-{2-[(3-methoxyphenyl)amino]-4-[(piperidin-4-yl)methoxy]pyrimidin-5-yl}-N-[2-oxo-2-(phenylamino)ethyl]benzamide, Maternal embryonic leucine zipper kinase
Authors:Sprague, E.R.
Deposit date:2016-05-17
Release date:2017-03-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:"Addition" and "Subtraction": Selectivity Design for Type II Maternal Embryonic Leucine Zipper Kinase Inhibitors.
J. Med. Chem., 60, 2017
9BRW
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BU of 9brw by Molmil
SARS-CoV-2 Papain-like Protease (PLpro) with Fragment 7
Descriptor: CHLORIDE ION, N-(2-chlorophenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Papain-like protease nsp3, ...
Authors:Amporndanai, K, Zhao, B, Fesik, S.W.
Deposit date:2024-05-11
Release date:2024-07-31
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Fragment-Based Screen of SARS-CoV-2 Papain-like Protease (PL pro ).
Acs Med.Chem.Lett., 15, 2024

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數據於2025-07-09公開中

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