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7RJ8
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BU of 7rj8 by Molmil
CRYSTAL STRUCTURE OF AP2 ASSOCIATED KINASE 1 ISOFORM 1 COMPLEXED WITH LIGAND (2R)-2-AMINO-N-[3-(DIFLUOROM ETHOXY)-4-(1,3-OXAZOL-5-YL)PHENYL]-4-METHYLPENTANAMIDE
分子名称: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 5-[(4-aminopiperidin-1-yl)methyl]-N-{3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]phenyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine, AP2-associated protein kinase 1, ...
著者Pokross, M, Muckelbauer, J.
登録日2021-07-20
公開日2022-02-23
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Bicyclic Heterocyclic Replacement of an Aryl Amide Leading to Potent and Kinase-Selective Adaptor Protein 2-Associated Kinase 1 Inhibitors.
J.Med.Chem., 65, 2022
8UH2
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Complex of C3b with the inhibitor albicin
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Albicin, Complement C3 beta chain, ...
著者Andersen, J.F, Lei, H, Strayer, E, Ribeiro, J.M.
登録日2023-10-06
公開日2024-05-08
実験手法ELECTRON MICROSCOPY (3.59 Å)
主引用文献The mechanism of a mosquito salivary inhibitor of the alternative C3 convertase is elucidated through structural analysis of its complex with C3bBb
To Be Published
4J9D
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Crystal structure of the N114A mutant of the Abl-SH3 domain complexed with the high affinity peptide P0
分子名称: P0, SULFATE ION, Tyrosine-protein kinase ABL1
著者Camara-Artigas, A.
登録日2013-02-16
公開日2014-01-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of the N114A mutant of the Abl-SH3 domain complexed with the high affinity peptide P0
To be Published
8BPC
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BU of 8bpc by Molmil
Cryo-EM structure of the human SIN3B histone deacetylase core complex with SAHA at 2.8 Angstrom
分子名称: CALCIUM ION, Histone deacetylase 2, Isoform 2 of Paired amphipathic helix protein Sin3b, ...
著者Wan, M.S.M, Muhammad, R, Koliopolous, M.G, Alfieri, C.
登録日2022-11-16
公開日2023-05-10
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Mechanism of assembly, activation and lysine selection by the SIN3B histone deacetylase complex.
Nat Commun, 14, 2023
4J9F
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Crystal structure of the Abl-SH3 domain complexed with the high affinity peptide P0
分子名称: GLYCEROL, P0, SULFATE ION, ...
著者Camara-Artigas, A.
登録日2013-02-16
公開日2014-01-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.094 Å)
主引用文献Crystal structure of the Abl-SH3 domain complexed with the high affinity peptide P0
To be Published
3GHN
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BU of 3ghn by Molmil
Crystal structure of the exosite-containing fragment of human ADAMTS13 (form-2)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, A disintegrin and metalloproteinase with thrombospondin motifs 13, ...
著者Akiyama, M, Takeda, S, Kokame, K, Takagi, J, Miyata, T.
登録日2009-03-04
公開日2009-10-27
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structures of the non-catalytic domains of ADAMTS13 reveal multiple discontinuous exosites for von Willebrand factor
To be Published
1I10
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BU of 1i10 by Molmil
HUMAN MUSCLE L-LACTATE DEHYDROGENASE M CHAIN, TERNARY COMPLEX WITH NADH AND OXAMATE
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ACETATE ION, L-LACTATE DEHYDROGENASE M CHAIN, ...
著者Read, J.A, Winter, V.J, Eszes, C.M, Sessions, R.B, Brady, R.L.
登録日2001-01-30
公開日2001-03-28
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for altered activity of M- and H-isozyme forms of human lactate dehydrogenase.
Proteins, 43, 2001
7R0N
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KRasG12C in complex with GDP and compound 2
分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Ostermann, N.
登録日2022-02-02
公開日2022-04-27
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Discovery, Preclinical Characterization, and Early Clinical Activity of JDQ443, a Structurally Novel, Potent, and Selective Covalent Oral Inhibitor of KRASG12C.
Cancer Discov, 12, 2022
7R0Q
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BU of 7r0q by Molmil
KRasG12C in complex with GDP and compound 3
分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Ostermann, N.
登録日2022-02-02
公開日2022-04-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery, Preclinical Characterization, and Early Clinical Activity of JDQ443, a Structurally Novel, Potent, and Selective Covalent Oral Inhibitor of KRASG12C.
Cancer Discov, 12, 2022
7R0M
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BU of 7r0m by Molmil
KRasG12C in complex with GDP and JDQ443
分子名称: 1-[6-[4-(5-chloranyl-6-methyl-1~{H}-indazol-4-yl)-5-methyl-3-(1-methylindazol-5-yl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Ostermann, N.
登録日2022-02-02
公開日2022-04-27
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.611 Å)
主引用文献Discovery, Preclinical Characterization, and Early Clinical Activity of JDQ443, a Structurally Novel, Potent, and Selective Covalent Oral Inhibitor of KRASG12C.
Cancer Discov, 12, 2022
7R26
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BU of 7r26 by Molmil
PI3K delta in complex with SD5
分子名称: 5-[2,6-di(morpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Gutmann, S, Rummel, G, Shrestha, B.
登録日2022-02-04
公開日2022-05-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Identification of NVP-CLR457 as an Orally Bioavailable Non-CNS-Penetrant pan-Class IA Phosphoinositol-3-Kinase Inhibitor.
J.Med.Chem., 65, 2022
7R2B
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BU of 7r2b by Molmil
PI3Kdelta in complex with an inhibitor
分子名称: (4~{S})-3-[6-[2-azanyl-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-pyrimidin-4-yl]-4-methyl-1,3-oxazolidin-2-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Gutmann, S, Rummel, G, Shrestha, B.
登録日2022-02-04
公開日2022-05-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Identification of NVP-CLR457 as an Orally Bioavailable Non-CNS-Penetrant pan-Class IA Phosphoinositol-3-Kinase Inhibitor.
J.Med.Chem., 65, 2022
1JCS
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BU of 1jcs by Molmil
CRYSTAL STRUCTURE OF RAT PROTEIN FARNESYLTRANSFERASE COMPLEXED WITH THE PEPTIDE SUBSTRATE TKCVFM AND AN ANALOG OF FARNESYL DIPHOSPHATE
分子名称: ACETIC ACID, PROTEIN FARNESYLTRANSFERASE, ALPHA SUBUNIT, ...
著者Long, S.B, Casey, P.J, Beese, L.S.
登録日2001-06-11
公開日2001-11-02
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The crystal structure of human protein farnesyltransferase reveals the basis for inhibition by CaaX tetrapeptides and their mimetics.
Proc.Natl.Acad.Sci.USA, 98, 2001
8SUX
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BU of 8sux by Molmil
Structure of E. coli PtuA hexamer
分子名称: ADENOSINE-5'-TRIPHOSPHATE, PtuA
著者Shen, Z.F, Yang, X.Y, Fu, T.M.
登録日2023-05-13
公開日2024-01-10
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.93 Å)
主引用文献PtuA and PtuB assemble into an inflammasome-like oligomer for anti-phage defense.
Nat.Struct.Mol.Biol., 31, 2024
8SXI
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BU of 8sxi by Molmil
CH505 Disulfide Stapled SOSIP Bound to b12 Fab
分子名称: Envelope glycoprotein gp160, HIV-1 gp41, b12 Heavy Chain, ...
著者Henderson, R.
登録日2023-05-22
公開日2024-02-14
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Microsecond dynamics control the HIV-1 Envelope conformation.
Sci Adv, 10, 2024
8R4I
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BU of 8r4i by Molmil
Cryo-EM structure of human islet amyloid polypeptide (hIAPP)
分子名称: Islet amyloid polypeptide
著者Ooi, S.A, Valli, D, Maj, M.
登録日2023-11-13
公開日2024-03-06
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.01 Å)
主引用文献Improving cryo-EM grids for amyloid fibrils using interface-active solutions and spectator proteins.
Biophys.J., 123, 2024
7R1D
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BU of 7r1d by Molmil
Structure of MuvB complex
分子名称: Histone-binding protein RBBP4, Protein lin-37 homolog, Protein lin-9 homolog
著者Koliopoulos, M.G, Alfieri, C.
登録日2022-02-02
公開日2022-08-10
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structure of a nucleosome-bound MuvB transcription factor complex reveals DNA remodelling.
Nat Commun, 13, 2022
1BN5
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HUMAN METHIONINE AMINOPEPTIDASE 2
分子名称: COBALT (II) ION, METHIONINE AMINOPEPTIDASE, TERTIARY-BUTYL ALCOHOL
著者Liu, S, Widom, J, Kemp, C.W, Crews, C.M, Clardy, J.C.
登録日1998-07-31
公開日1999-07-31
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of human methionine aminopeptidase-2 complexed with fumagillin.
Science, 282, 1998
1Y9M
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BU of 1y9m by Molmil
Crystal structure of exo-inulinase from Aspergillus awamori in spacegroup P212121
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
著者Nagem, R.A.P, Rojas, A.L, Golubev, A.M, Korneeva, O.S, Eneyskaya, E.V, Kulminskaya, A.A, Neustroev, K.N, Polikarpov, I.
登録日2004-12-16
公開日2004-12-28
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Crystal structure of exo-inulinase from Aspergillus awamori: the enzyme fold and structural determinants of substrate recognition
J.Mol.Biol., 344, 2004
8SXJ
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BU of 8sxj by Molmil
CH505 Disulfide Stapled SOSIP Bound to CH235.12 Fab
分子名称: CH235.12 Heavy Chain, CH235.12 Light Chain, Envelope glycoprotein gp160, ...
著者Henderson, R.
登録日2023-05-22
公開日2024-02-14
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Microsecond dynamics control the HIV-1 Envelope conformation.
Sci Adv, 10, 2024
4J9H
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BU of 4j9h by Molmil
Crystal structure of the ABL-SH3 domain complexed with the designed high-affinity peptide ligand P7 at pH 8
分子名称: P7, SULFATE ION, Tyrosine-protein kinase ABL1
著者Camara-Artigas, A.
登録日2013-02-16
公開日2014-01-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of the ABL-SH3 domain complexed with the designed high-affinity peptide ligand P7
To be Published
8TH1
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BU of 8th1 by Molmil
Crystal Structure of the G3BP1 NTF2-like domain bound to the IDR1 of SARS-CoV-2 nucleocapsid protein D3L mutant
分子名称: Nucleoprotein, Ras GTPase-activating protein-binding protein 1
著者Hughes, M.P, Taylor, J.P, Yang, Z.
登録日2023-07-13
公開日2023-12-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Interaction between host G3BP and viral nucleocapsid protein regulates SARS-CoV-2 replication and pathogenicity.
Cell Rep, 43, 2024
1CRI
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BU of 1cri by Molmil
THE ROLE OF A CONSERVED INTERNAL WATER MOLECULE AND ITS ASSOCIATED HYDROGEN BOND NETWORK IN CYTOCHROME C
分子名称: CYTOCHROME C, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
著者Berghuis, A.M, Brayer, G.D.
登録日1993-08-06
公開日1994-01-31
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The role of a conserved internal water molecule and its associated hydrogen bond network in cytochrome c.
J.Mol.Biol., 236, 1994
3I97
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BU of 3i97 by Molmil
B1 domain of human Neuropilin-1 bound with small molecule EG00229
分子名称: (S)-2-(3-(benzo[c][1,2,5]thiadiazole-4-sulfonamido)thiophene-2-carboxamido)-5-guanidinopentanoic acid, GLYCEROL, Neuropilin-1
著者Allerston, C.K, Djordjevic, S.
登録日2009-07-10
公開日2010-03-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Small molecule inhibitors of the neuropilin-1 vascular endothelial growth factor A (VEGF-A) interaction.
J.Med.Chem., 53, 2010
8BPA
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BU of 8bpa by Molmil
Cryo-EM structure of the human SIN3B histone deacetylase complex at 3.7 Angstrom
分子名称: CALCIUM ION, Histone deacetylase 2, Isoform 2 of Paired amphipathic helix protein Sin3b, ...
著者Wan, M.S.M, Muhammad, R, Koliopolous, M.G, Alfieri, C.
登録日2022-11-16
公開日2023-05-10
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Mechanism of assembly, activation and lysine selection by the SIN3B histone deacetylase complex.
Nat Commun, 14, 2023

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件を2024-08-07に公開中

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