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8QVG
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BU of 8qvg by Molmil
Comparison of room-temperature and cryogenic structures of soluble Epoxide Hydrolase with ligands bound.
分子名称: Bifunctional epoxide hydrolase 2, N-(3,3-DIPHENYLPROPYL)PYRROLIDINE-1-CARBOXAMIDE
著者Dunge, A, Uwangue, O, Phan, C, Bjelcic, M, Gunnarsson, J, Wehlander, G, Kack, H, Branden, G.
登録日2023-10-18
公開日2024-08-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Exploring serial crystallography for drug discovery.
Iucrj, 2024
7NN4
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BU of 7nn4 by Molmil
Crystal structure of Mycobacterium tuberculosis ArgD with prosthetic group pyridoxal 5'-phosphate and 3-hydroxy-2-naphthoic acid.
分子名称: 3-hydroxynaphthalene-2-carboxylic acid, Acetylornithine aminotransferase, NITRATE ION
著者Gupta, P, Mendes, V, Blundell, T.L.
登録日2021-02-24
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
8QRV
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BU of 8qrv by Molmil
ASCT2 protomer in lipid nanodiscs under low Na+ concentration in the outward-facing state (OFS)
分子名称: Neutral amino acid transporter B(0), SODIUM ION
著者Borowska, A, Rheinberger, J, Paulino, C, Slotboom, D.J.
登録日2023-10-09
公開日2024-08-14
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural basis of the obligatory exchange mode of human neutral amino acid transporter ASCT2.
Nat Commun, 15, 2024
8QH9
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BU of 8qh9 by Molmil
X-ray structure of Danio rerio histone deacetylase 6 (HDAC6) CD2 in complex with a S-29b
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Histone deacetylase 6, ...
著者Barinka, C, Motlova, L.
登録日2023-09-07
公開日2024-08-07
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Biological and structural investigation of tetrahydro-beta-carboline-based selective HDAC6 inhibitors with improved stability.
Eur.J.Med.Chem., 276, 2024
7NN1
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BU of 7nn1 by Molmil
Crystal structure of Mycobacterium tuberculosis ArgD with prosthetic group pyridoxal 5'-phosphate
分子名称: Acetylornithine aminotransferase, NITRATE ION
著者Gupta, P, Mendes, V, Blundell, T.L.
登録日2021-02-24
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
4K2Z
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BU of 4k2z by Molmil
Crystal structure of the complex of type I Ribosome inactivating protein from Momordica balsamina with Methylethylamine at 1.80 A resolution
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, METHYLETHYLAMINE, ...
著者Yamini, S, Pandey, S, Kushwaha, G.S, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
登録日2013-04-10
公開日2013-05-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of the complex of type I Ribosome inactivating protein from Momordica balsamina with Methylethylamine at 1.80 A resolution
To be Published
7NPJ
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BU of 7npj by Molmil
Crystal structure of Mycobacterium tuberculosis ArgC in complex with 6-phenoxy-3-pyridinamine
分子名称: 6-phenoxy-3-pyridinamine, N-acetyl-gamma-glutamyl-phosphate reductase
著者Gupta, P, Mendes, V, Blundell, T.L.
登録日2021-02-27
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
8QVK
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BU of 8qvk by Molmil
Comparison of room-temperature and cryogenic structures of soluble Epoxide Hydrolase with ligands bound.
分子名称: Bifunctional epoxide hydrolase 2, N-(5,5-dioxodibenzothiophen-2-yl)-4,4-difluoro-piperidine-1-carboxamide
著者Dunge, A, Uwangue, O, Phan, C, Bjelcic, M, Gunnarsson, J, Wehlander, G, Kack, H, Branden, G.
登録日2023-10-18
公開日2024-08-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Exploring serial crystallography for drug discovery.
Iucrj, 2024
8QVM
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BU of 8qvm by Molmil
Comparison of room-temperature and cryogenic structures of soluble Epoxide Hydrolase with ligands bound.
分子名称: Bifunctional epoxide hydrolase 2, TRIETHYLENE GLYCOL
著者Dunge, A, Uwangue, O, Phan, C, Bjelcic, M, Gunnarsson, J, Wehlander, G, Kack, H, Branden, G.
登録日2023-10-18
公開日2024-08-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Exploring serial crystallography for drug discovery.
Iucrj, 2024
8QWI
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BU of 8qwi by Molmil
Comparison of room-temperature and cryogenic structures of soluble Epoxide Hydrolase with ligands bound.
分子名称: 2-(1H-BENZIMIDAZOL-2-YLSULFANYL)ETHANOL, Bifunctional epoxide hydrolase 2, SULFATE ION
著者Dunge, A, Uwangue, O, Phan, C, Bjelcic, M, Gunnarsson, J, Wehlander, G, Kack, H, Branden, G.
登録日2023-10-19
公開日2024-08-14
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Exploring serial crystallography for drug discovery.
Iucrj, 2024
8RKC
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BU of 8rkc by Molmil
Capsid of bacteriophage JBD30 decorated with minor capsid protein trimers computed in I4 symmetry
分子名称: Bacteriophage Mu GpT domain-containing protein, Mu-like prophage FluMu N-terminal domain-containing protein
著者Valentova, L, Fuzik, T, Plevka, P.
登録日2023-12-23
公開日2024-08-14
実験手法ELECTRON MICROSCOPY (2.95 Å)
主引用文献Structure and replication of Pseudomonas aeruginosa phage JBD30
Embo J., 2024
7NNI
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BU of 7nni by Molmil
Crystal structure of Mycobacterium tuberculosis ArgC apoenzyme
分子名称: N-acetyl-gamma-glutamyl-phosphate reductase
著者Gupta, P, Mendes, V, Blundell, T.L.
登録日2021-02-24
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.544 Å)
主引用文献A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
8SP5
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BU of 8sp5 by Molmil
LINE-1 retrotransposon endonuclease domain complex with Mn2+
分子名称: LINE-1 retrotransposon endonuclease, MANGANESE (II) ION, SULFATE ION
著者D'Ordine, A.M, Jogl, G, Sedivy, J.M.
登録日2023-05-02
公開日2024-05-22
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Identification and characterization of small molecule inhibitors of the LINE-1 retrotransposon endonuclease.
Nat Commun, 15, 2024
6DK8
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BU of 6dk8 by Molmil
RetS kinase region without cobalt
分子名称: NICKEL (II) ION, RetS (Regulator of Exopolysaccharide and Type III Secretion)
著者Mancl, J.M, Schubot, F.D.
登録日2018-05-29
公開日2019-03-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Helix Cracking Regulates the Critical Interaction between RetS and GacS in Pseudomonas aeruginosa.
Structure, 27, 2019
8SPW
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BU of 8spw by Molmil
PS3 F1 Rotorless, low ATP
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase subunit alpha, ...
著者Sobti, M, Stewart, A.G.
登録日2023-05-03
公開日2024-01-24
最終更新日2024-04-17
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献The series of conformational states adopted by rotorless F 1 -ATPase during its hydrolysis cycle.
Structure, 32, 2024
8EMC
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BU of 8emc by Molmil
CryoEM characterization of BrxL -- a unique AAA+ phage restriction Factor.
分子名称: Protease Lon-related BREX system protein BrxL
著者Shen, B.W, Stoddard, B.L.
登録日2022-09-27
公開日2023-02-01
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structure, substrate binding and activity of a unique AAA+ protein: the BrxL phage restriction factor.
Nucleic Acids Res., 51, 2023
6DLZ
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BU of 6dlz by Molmil
Open state GluA2 in complex with STZ after micelle signal subtraction
分子名称: CYCLOTHIAZIDE, GLUTAMIC ACID, Glutamate receptor 2,Voltage-dependent calcium channel gamma-2 subunit
著者Twomey, E.C, Yelshanskaya, M.V, Vassilevski, A.A, Sobolevsky, A.I.
登録日2018-06-04
公開日2018-08-22
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Mechanisms of Channel Block in Calcium-Permeable AMPA Receptors.
Neuron, 99, 2018
8F5W
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BU of 8f5w by Molmil
Dihydropyrimidine Dehydrogenase (DPD) C671S Mutant Soaked with Dihydrothymine and NADPH Quasi-Anaerobically
分子名称: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, Dihydropyrimidine dehydrogenase [NADP(+)], FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Kaley, N, Smith, M, Forouzesh, D, Liu, D, Moran, G.
登録日2022-11-15
公開日2023-02-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Mammalian dihydropyrimidine dehydrogenase: Added mechanistic details from transient-state analysis of charge transfer complexes.
Arch.Biochem.Biophys., 736, 2023
8S9I
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BU of 8s9i by Molmil
Crystal structure of the gp32 C-terminal peptide/Dda/dT8
分子名称: Dda helicase, dT8, gp32 C-terminal peptide
著者He, X, Yun, M.K, White, S.W.
登録日2023-03-28
公開日2023-06-28
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (3.53 Å)
主引用文献Crystal structure of the gp32 C-terminal peptide/Dda/dT8
To Be Published
6DMV
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BU of 6dmv by Molmil
Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Soaked for 40 s in 2 mM Mg2+ and 200 mM K+ at 21 C
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*AP*TP*GP*T)-3'), GLYCEROL, ...
著者Samara, N.L, Yang, W.
登録日2018-06-05
公開日2018-08-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Cation trafficking propels RNA hydrolysis.
Nat. Struct. Mol. Biol., 25, 2018
8SPS
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BU of 8sps by Molmil
High resolution structure of ESRRB nucleosome bound OCT4 at site a and site b
分子名称: DNA (168-MER), Histone H2A type 2-C, Histone H2B type 2-E, ...
著者Lian, T, Guan, R, Bai, Y.
登録日2023-05-03
公開日2023-06-28
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural mechanism of LIN28B nucleosome targeting by OCT4.
Mol.Cell, 83, 2023
4K5U
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BU of 4k5u by Molmil
Recognition of the BG-H Antigen by a Lamprey Variable Lymphocyte Receptor
分子名称: Variable lymphocyte receptor, beta-D-galactopyranose
著者Luo, M, Velikovsky, C.A, Yang, X.B, Mariuzza, R.A.
登録日2013-04-15
公開日2013-06-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.698 Å)
主引用文献Recognition of the thomsen-friedenreich pancarcinoma carbohydrate antigen by a lamprey variable lymphocyte receptor.
J.Biol.Chem., 288, 2013
6DOA
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BU of 6doa by Molmil
Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 2 mM Mg2+ and 200 mM K+ for 480 s at 21 C
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*AP*TP*GP*T)-3'), GLYCEROL, ...
著者Samara, N.L, Yang, W.
登録日2018-06-09
公開日2018-08-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.474 Å)
主引用文献Cation trafficking propels RNA hydrolysis.
Nat. Struct. Mol. Biol., 25, 2018
8F7U
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BU of 8f7u by Molmil
Macrocyclic Plasmin Inhibitor
分子名称: (5S,8R,18S,21R)-N-{[4-(aminomethyl)phenyl]methyl}-21-[(benzenesulfonyl)amino]-3,11,20-trioxo-2,5,8,12,19-pentaazatetracyclo[21.2.2.2~5,8~.2~13,16~]hentriaconta-1(25),13,15,23,26,28-hexaene-18-carboxamide, Activation peptide, GLYCEROL, ...
著者Guojie, W.
登録日2022-11-20
公開日2023-02-08
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Synthesis and structural characterization of new macrocyclicplasmin inhibitors
Chemmedchem, 2023
6DOI
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BU of 6doi by Molmil
Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid (1.54 Angstrom wavelength): Soak in 0.5 mM EGTA and 200 mM K+ at 21 C
分子名称: 1,2-ETHANEDIOL, 5'-R(*AP*CP*AP*U)-3' portion of intact RNA (5'-R(*AP*CP*AP*UP*CP*G)-3'), 5'-R(P*CP*G)-3' portion of intact RNA (5'-R(*AP*CP*AP*UP*CP*G)-3'), ...
著者Samara, N.L, Yang, W.
登録日2018-06-09
公開日2018-08-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.948 Å)
主引用文献Cation trafficking propels RNA hydrolysis.
Nat. Struct. Mol. Biol., 25, 2018

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件を2024-08-21に公開中

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