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1XH9
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Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants
分子名称: (R,R)-2,3-BUTANEDIOL, N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-3-YL]ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, ...
著者Breitenlechner, C.B, Friebe, W.-G, Brunet, E, Werner, G, Graul, K, Thomas, U, Kuenkele, K.-P, Schaefer, W, Gassel, M, Bossemeyer, D, Huber, R, Engh, R.A, Masjost, B.
登録日2004-09-17
公開日2005-09-17
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Design and crystal structures of protein kinase B-selective inhibitors in complex with protein kinase A and mutants
J.Med.Chem., 48, 2005
1BQQ
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CRYSTAL STRUCTURE OF THE MT1-MMP--TIMP-2 COMPLEX
分子名称: CALCIUM ION, MEMBRANE-TYPE MATRIX METALLOPROTEINASE, METALLOPROTEINASE INHIBITOR 2, ...
著者Fernandez-Catalan, C, Bode, W, Huber, R, Turk, D, Calvete, J.J, Lichte, A, Tschesche, H, Maskos, K.
登録日1998-08-18
公開日1999-08-18
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Crystal structure of the complex formed by the membrane type 1-matrix metalloproteinase with the tissue inhibitor of metalloproteinases-2, the soluble progelatinase A receptor.
EMBO J., 17, 1998
8DYA
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BU of 8dya by Molmil
Structure of the SARS-CoV-2 spike glycoprotein S2 subunit
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Park, Y.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
登録日2022-08-03
公開日2022-11-30
最終更新日2023-01-11
実験手法ELECTRON MICROSCOPY (3.67 Å)
主引用文献SARS-CoV-2 spike conformation determines plasma neutralizing activity elicited by a wide panel of human vaccines.
Sci Immunol, 7, 2022
8T1T
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BU of 8t1t by Molmil
Structure of the alpha-N-methyltransferase (SonM) and RiPP precursor (SonA with QSY deletion) heteromeric complex (bound to SAM)
分子名称: Alpha-N-methyltransferase (SonM), RiPP precursor (SonA), S-ADENOSYLMETHIONINE, ...
著者Crone, K.K, Jomori, T, Miller, F.S, Gralnick, J, Elias, M, Freeman, M.F.
登録日2023-06-03
公開日2023-11-22
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献RiPP enzyme heterocomplex structure-guided discovery of a bacterial borosin alpha- N -methylated peptide natural product.
Rsc Chem Biol, 4, 2023
8SKJ
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Crystal structure of a Nanobody bound to the V5 peptide.
分子名称: NbA1, V5 Epitope Tag Peptide
著者Zaghal, M, Matte, K, Venes, A, Patel, S, Laroche, G, Sarvan, S, Joshi, M, Couture, J.F, Giguere, P.M.
登録日2023-04-19
公開日2023-11-22
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Development of a V5-tag-directed nanobody and its implementation as an intracellular biosensor of GPCR signaling.
J.Biol.Chem., 299, 2023
8T1S
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BU of 8t1s by Molmil
Structure of the alpha-N-methyltransferase (SonM) and RiPP precursor (SonA with QSY deletion) heteromeric complex (bound to SAH)
分子名称: Alpha-N-methyltransferase, Extradiol ring-cleavage dioxygenase LigAB LigA subunit domain-containing protein, S-ADENOSYL-L-HOMOCYSTEINE, ...
著者Crone, K.K, Jomori, T, Miller, F.S, Gralnick, J, Elias, M, Freeman, M.F.
登録日2023-06-03
公開日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献RiPP enzyme heterocomplex structure-guided discovery of a bacterial borosin alpha- N -methylated peptide natural product.
Rsc Chem Biol, 4, 2023
7QAN
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BU of 7qan by Molmil
Cytochrome P450 Enzyme AbyV
分子名称: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, CHLORIDE ION, Cytochrome P450, ...
著者Parnell, A.E, Back, C.R, Race, P.R.
登録日2021-11-17
公開日2022-11-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献The Role of Cytochrome P450 AbyV in the Final Stages of Abyssomicin C Biosynthesis.
Angew.Chem.Int.Ed.Engl., 62, 2023
6PLH
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BU of 6plh by Molmil
FAB fragment complexed with C-mannosylated tryptophan peptide
分子名称: Fab 5G12 heavy chain, Fab 5G12 light chain, Interleukin-21 receptor, ...
著者John, A, Jarva, M.A, Goddard-Borger, E.D.
登録日2019-06-30
公開日2020-07-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Yeast- and antibody-based tools for studying tryptophan C-mannosylation.
Nat.Chem.Biol., 17, 2021
6POM
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BU of 6pom by Molmil
Cryo-EM structure of the full-length Bacillus subtilis glyQS T-box riboswitch in complex with tRNA-Gly
分子名称: T-box GlyQS leader (155-MER), tRNAGly (75-MER)
著者Li, S, Su, Z, Zhang, J, Chiu, W.
登録日2019-07-04
公開日2019-11-20
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (4.9 Å)
主引用文献Structural basis of amino acid surveillance by higher-order tRNA-mRNA interactions.
Nat.Struct.Mol.Biol., 26, 2019
8DUT
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BU of 8dut by Molmil
Duplex-G-quadruplex-duplex (DGD) class_1
分子名称: Duplex-G-quadruplex-duplex (46-MER)
著者Monsen, R.C, Chua, E.Y.D, Hopkins, J.B, Chaires, J.B, Trent, J.O.
登録日2022-07-27
公開日2023-02-08
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (7.4 Å)
主引用文献Structure of a 28.5 kDa duplex-embedded G-quadruplex system resolved to 7.4 angstrom resolution with cryo-EM.
Nucleic Acids Res., 51, 2023
6PY8
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BU of 6py8 by Molmil
Crystal structure of the RBPJ-NOTCH1-NRARP ternary complex bound to DNA
分子名称: DNA, Neurogenic locus notch homolog protein 1, Notch-regulated ankyrin repeat-containing protein, ...
著者Jarrett, S.M, Seegar, T.C.M, Blacklow, S.C.
登録日2019-07-29
公開日2019-08-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.75 Å)
主引用文献Extension of the Notch intracellular domain ankyrin repeat stack by NRARP promotes feedback inhibition of Notch signaling.
Sci.Signal., 12, 2019
8SVC
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BU of 8svc by Molmil
Crystal Structure of SBP from Klebsiella pneumoniae
分子名称: Metal ABC transporter substrate-binding protein, SULFATE ION, ZINC ION
著者Giles, M.W, Cole, G.B, Ng, D, McDevitt, C.A, Moraes, T.F.
登録日2023-05-16
公開日2024-01-24
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Zinc acquisition and its contribution to Klebsiella pneumoniae virulence.
Front Cell Infect Microbiol, 13, 2023
8DUF
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BU of 8duf by Molmil
Crystal structure of Venezuelan Equine Encephalitis alphavirus (VEEV) nonstructural protein 2 (nsp2) (K741A/K767A) protease domain
分子名称: nsp2 protease domain
著者Lountos, G.T.
登録日2022-07-27
公開日2023-03-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Self-inhibited State of Venezuelan Equine Encephalitis Virus (VEEV) nsP2 Cysteine Protease: A Crystallographic and Molecular Dynamics Analysis.
J.Mol.Biol., 435, 2023
8DZ8
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BU of 8dz8 by Molmil
Neoleukin 4, a de novo designed IL-4 mimetic
分子名称: neoleukin-4
著者Jude, K.M, Spangler, J.B, Garcia, K.C.
登録日2022-08-06
公開日2023-03-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.972 Å)
主引用文献Design of cell-type-specific hyperstable IL-4 mimetics via modular de novo scaffolds.
Nat.Chem.Biol., 19, 2023
8E5T
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BU of 8e5t by Molmil
Yeast co-transcriptional Noc1-Noc2 RNP assembly checkpoint intermediate
分子名称: 25S ribosomal RNA, 5.8S ribosomal RNA, 60S ribosomal protein L13-A, ...
著者Sanghai, Z.A, Piwowarczyk, R, Vanden Broeck, A, Klinge, S.
登録日2022-08-22
公開日2023-04-12
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献A co-transcriptional ribosome assembly checkpoint controls nascent large ribosomal subunit maturation.
Nat.Struct.Mol.Biol., 30, 2023
8QX2
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BU of 8qx2 by Molmil
Aplysia californica acetylcholine-binding protein in complex with racemic spiroimine (+)/(-)-4
分子名称: ISOPROPYL ALCOHOL, Soluble acetylcholine receptor, Spiroimine (+)-4 R
著者Sulzenbacher, G, Bourne, Y, Marchot, P.
登録日2023-10-20
公開日2024-04-03
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The Cyclic Imine Core Common to the Marine Macrocyclic Toxins Is Sufficient to Dictate Nicotinic Acetylcholine Receptor Antagonism.
Mar Drugs, 22, 2024
8PWX
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BU of 8pwx by Molmil
PfRH5 bound to monoclonal antibody R5.008
分子名称: GLYCEROL, Reticulocyte-binding protein homolog 5, scFv fragment for antibody R5.008
著者Farrell, B, Higgins, M.K.
登録日2023-07-21
公開日2024-06-05
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献PfRH5 bound to monoclonal antibody R5.008
To Be Published
6Q7P
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BU of 6q7p by Molmil
Crystal structure of OE1.2
分子名称: 1,2-ETHANEDIOL, 1-PHENYLETHANONE, MAGNESIUM ION, ...
著者Levy, C.W.
登録日2018-12-13
公開日2019-06-05
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Design and evolution of an enzyme with a non-canonical organocatalytic mechanism.
Nature, 570, 2019
7RK8
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BU of 7rk8 by Molmil
Cryo-EM Structure of Adeno-Associated Virus Serotype 9 with Engineered Peptide Domain PHP.B (AAV9-PHP.B)
分子名称: Capsid protein VP1
著者Fluck, E.C, Pumroy, R.A, Moiseenkova-Bell, V.Y.
登録日2021-07-22
公開日2021-08-04
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2.27 Å)
主引用文献Context-Specific Function of the Engineered Peptide Domain of PHP.B.
J.Virol., 95, 2021
2VDC
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BU of 2vdc by Molmil
THE 9.5 A RESOLUTION STRUCTURE OF GLUTAMATE SYNTHASE FROM CRYO-ELECTRON MICROSCOPY AND ITS OLIGOMERIZATION BEHAVIOR IN SOLUTION: FUNCTIONAL IMPLICATIONS.
分子名称: 2-OXOGLUTARIC ACID, FE3-S4 CLUSTER, FLAVIN MONONUCLEOTIDE, ...
著者Cottevieille, M, Larquet, E, Jonic, S, Petoukhov, M.V, Caprini, G, Paravisi, S, Svergun, D.I, Vanoni, M.A, Boisset, N.
登録日2007-10-04
公開日2008-01-15
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (9.5 Å)
主引用文献The Subnanometer Resolution Structure of the Glutamate Synthase 1.2-Mda Hexamer by Cryoelectron Microscopy and its Oligomerization Behavior in Solution: Functional Implications.
J.Biol.Chem., 283, 2008
2VGC
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BU of 2vgc by Molmil
GAMMA-CHYMOTRYPSIN D-PARA-CHLORO-1-ACETAMIDO BORONIC ACID INHIBITOR COMPLEX
分子名称: D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID, GAMMA CHYMOTRYPSIN, SULFATE ION
著者Stoll, V.S, Eger, B.T, Hynes, R.C, Martichonok, V, Jones, J.B, Pai, E.F.
登録日1997-05-01
公開日1997-11-12
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Differences in binding modes of enantiomers of 1-acetamido boronic acid based protease inhibitors: crystal structures of gamma-chymotrypsin and subtilisin Carlsberg complexes.
Biochemistry, 37, 1998
7RK9
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BU of 7rk9 by Molmil
Cryo-EM Structure of Adeno-Associated Virus Serotype 1 with Engineered Peptide Domain PHP.B (AAV1-PHP.B)
分子名称: Capsid protein
著者Fluck, E.C, Pumroy, R.A, Moiseenkova-Bell, V.Y.
登録日2021-07-22
公開日2021-08-04
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2.32 Å)
主引用文献Context-Specific Function of the Engineered Peptide Domain of PHP.B.
J.Virol., 95, 2021
1XH8
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Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants
分子名称: N-[4-({4-[5-(4,4-DIMETHYLPIPERIDIN-1-YL)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-3-YL]ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, alpha form, ...
著者Breitenlechner, C.B, Friebe, W.-G, Brunet, E, Werner, G, Graul, K, Thomas, U, Kuenkele, K.-P, Schaefer, W, Gassel, M, Bossemeyer, D, Huber, R, Engh, R.A, Masjost, B.
登録日2004-09-17
公開日2005-09-17
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Design and crystal structures of protein kinase B-selective inhibitors in complex with protein kinase A and mutants
J.Med.Chem., 48, 2005
6Q7R
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Crystal structure of OE1.3 alkylated with the mechanistic inhibitor 2-bromoacetophenone
分子名称: 1-PHENYLETHANONE, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
著者Levy, C.W.
登録日2018-12-13
公開日2019-06-05
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Design and evolution of an enzyme with a non-canonical organocatalytic mechanism.
Nature, 570, 2019
1XH6
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BU of 1xh6 by Molmil
Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants
分子名称: N-(4-{[4-(2-HYDROXY-5-PIPERIDIN-1-YLBENZOYL)BENZOYL]AMINO}AZEPAN-3-YL)ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, alpha form, ...
著者Breitenlechner, C.B, Friebe, W.-G, Brunet, E, Werner, G, Graul, K, Thomas, U, Kuenkele, K.-P, Schaefer, W, Gassel, M, Bossemeyer, D, Huber, R, Engh, R.A, Masjost, B.
登録日2004-09-17
公開日2005-09-17
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Design and crystal structures of protein kinase B-selective inhibitors in complex with protein kinase A and mutants
J.Med.Chem., 48, 2005

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