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4Y4W
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BU of 4y4w by Molmil
Endothiapepsin in complex with fragment 125
分子名称: 1,2-ETHANEDIOL, 4-methylpiperidine-1-carboximidamide, ACETATE ION, ...
著者Schiebel, J, Heine, A, Klebe, G.
登録日2015-02-11
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.451 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
5YR7
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BU of 5yr7 by Molmil
Human methionine aminopeptidase type 1b (F309L mutant)
分子名称: COBALT (II) ION, METHIONINE, Methionine aminopeptidase 1, ...
著者Pillalamarri, V, Arya, T, Addlagatta, A.
登録日2017-11-08
公開日2018-11-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Differential inhibition of Sub-Type 1 Methionine aminopeptidases by ovalicin
To Be Published
4Y56
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BU of 4y56 by Molmil
Endothiapepsin in complex with fragment 58
分子名称: 1,2-ETHANEDIOL, 1-(1,3-dimethyl-1H-pyrazol-5-yl)methanamine, DIMETHYL SULFOXIDE, ...
著者Radeva, N, Heine, A, Klebe, G.
登録日2015-02-11
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
8OP2
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BU of 8op2 by Molmil
Stacks of nucleocapsid rings of the N1-370 mutant of the human Respiratory Syncytial Virus
分子名称: Nucleoprotein, RNA (70-mer)
著者Gonnin, L, Desfosses, A, Gutsche, I.
登録日2023-04-06
公開日2023-09-27
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structural landscape of the respiratory syncytial virus nucleocapsids.
Nat Commun, 14, 2023
6T9H
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BU of 6t9h by Molmil
C171S mutant of Linalool Dehydratase Isomerase
分子名称: Linalool dehydratase-isomerase protein LDI
著者Cuetos, A, Zukic, E, Danesh-Azari, H.R, Grogan, G.
登録日2019-10-28
公開日2020-10-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Mutational Analysis of Linalool Dehydratase Isomerase Suggests That Alcohol and Alkene Transformations Are Catalyzed Using Noncovalent Mechanisms
Acs Catalysis, 2020
6TA4
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BU of 6ta4 by Molmil
Human kinesin-5 motor domain in the AMPPNP state bound to microtubules
分子名称: GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein KIF11, MAGNESIUM ION, ...
著者Pena, A.P, Sweeney, A, Cook, A.D, Moores, C.A, Topf, M.
登録日2019-10-29
公開日2020-03-04
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (6.1 Å)
主引用文献Structure of Microtubule-Trapped Human Kinesin-5 and Its Mechanism of Inhibition Revealed Using Cryoelectron Microscopy.
Structure, 28, 2020
8OOU
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BU of 8oou by Molmil
Double-ring nucleocapsid of the Respiratory Syncytial Virus
分子名称: Nucleoprotein, RNA (70-mer)
著者Gonnin, L, Desfosses, A, Gutsche, I.
登録日2023-04-06
公開日2023-09-27
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural landscape of the respiratory syncytial virus nucleocapsids.
Nat Commun, 14, 2023
8OP1
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BU of 8op1 by Molmil
Subsection of a helical nucleocapsid of the Respiratory Syncytial Virus
分子名称: Nucleoprotein, RNA (5'-R(P*CP*CP*CP*CP*CP*CP*C)-3')
著者Gonnin, L, Desfosses, A, Eleouet, J.F, Galloux, M, Gutsche, I.
登録日2023-04-06
公開日2023-09-27
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural landscape of the respiratory syncytial virus nucleocapsids.
Nat Commun, 14, 2023
4CWS
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BU of 4cws by Molmil
Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor
分子名称: 2-{[2-amino-5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazolin-8-yl]amino}ethanol, HEAT SHOCK PROTEIN HSP 90-ALPHA
著者Casale, E, Amboldi, N, Brasca, G, Caronni, D, Colombo, N, Dalvit, C, Felder, E.R, Fogliatto, G, Isacchi, A, Mantegani, S, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Casuscelli, F.
登録日2014-04-03
公開日2014-07-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors.
Bioorg.Med.Chem., 22, 2014
5YIL
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BU of 5yil by Molmil
Hoisting-loop in bacterial multidrug exporter AcrB is a highly flexible hinge that enables the large motion of the subdomains
分子名称: Multidrug efflux pump subunit AcrB
著者Zwama, M, Sakurai, K, Hayashi, K, Nakashima, R, Kitagawa, K, Nishino, K, Yamaguchi, A.
登録日2017-10-05
公開日2017-11-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Hoisting-Loop in Bacterial Multidrug Exporter AcrB Is a Highly Flexible Hinge That Enables the Large Motion of the Subdomains.
Front Microbiol, 8, 2017
8OK6
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BU of 8ok6 by Molmil
Variant Surface Glycoprotein VSG11 two monomers
分子名称: SULFATE ION, Variant surface glycoprotein, alpha-D-glucopyranose, ...
著者Gkeka, A, Vlachou, E.P, Zeelen, J.P, Stebbins, C.E.
登録日2023-03-27
公開日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献A structural classification of the variant surface glycoproteins of the African trypanosomey.
Plos Negl Trop Dis, 17, 2023
8KIH
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BU of 8kih by Molmil
PhmA, a type I diterpene synthase without NST/DTE motif
分子名称: (2Z,6E,10E)-2-fluoro-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl trihydrogen diphosphate, MAGNESIUM ION, diterpene synthase, ...
著者Zhang, B, Ge, H.M, Zhu, A, Zhang, Y.
登録日2023-08-23
公開日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Biosynthesis of Platelet Activating Factor Antagonist Phomactins Revealing a New Class of Type I Diterpene Synthase
To Be Published
8KI5
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BU of 8ki5 by Molmil
PhmA, a type I diterpene synthase without NST/DTE motif
分子名称: (2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol, PhmA
著者Zhang, B, Ge, H.M, Zhu, A, Zhang, Y.
登録日2023-08-22
公開日2023-10-04
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Biosynthesis of Platelet Activating Factor Antagonist Phomactins Revealing a New Class of Type I Diterpene Synthase
To Be Published
6TI8
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BU of 6ti8 by Molmil
IRAK4 IN COMPLEX WITH inhibitor
分子名称: Interleukin-1 receptor-associated kinase 4, ~{N},~{N}-dimethyl-4-(1-methylcyclopropyl)oxy-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrido[3,2-d]pyrimidine-6-carboxamide
著者Xue, Y, Aagaard, A, Degorce, S.L.
登録日2019-11-22
公開日2020-10-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Improving metabolic stability and removing aldehyde oxidase liability in a 5-azaquinazoline series of IRAK4 inhibitors.
Bioorg.Med.Chem., 28, 2020
4YDZ
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BU of 4ydz by Molmil
Stress-induced protein 1 from Caenorhabditis elegans
分子名称: Stress-induced protein 1
著者Fleckenstein, T, Kastenmueller, A, Stein, M.L, Peters, C, Daake, M, Krause, M, Weinfurtner, D, Haslbeck, M, Weinkauf, S, Groll, M, Buchner, J.
登録日2015-02-23
公開日2015-06-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献The Chaperone Activity of the Developmental Small Heat Shock Protein Sip1 Is Regulated by pH-Dependent Conformational Changes.
Mol.Cell, 58, 2015
5YPD
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BU of 5ypd by Molmil
Mycobacterium Tuberculosis Methionine aminopeptidase type 1c (C105N mutant) in complex with Methionine
分子名称: CHLORIDE ION, COBALT (II) ION, GLYCEROL, ...
著者Sandeep, C.B, Addlagatta, A.
登録日2017-11-01
公開日2018-11-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Discovery of a new class of type 1 methionine aminopeptidases that have relaxed substrate specificity.
Int.J.Biol.Macromol., 129, 2019
7LAP
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BU of 7lap by Molmil
Crystal structure of aminoglycoside acetyltransferase AAC(3)-Xa
分子名称: Aminoglycoside N(3)-acetyltransferase, CHLORIDE ION, D(-)-TARTARIC ACID, ...
著者Stogios, P.J, Skarina, T, Kim, Y, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2021-01-06
公開日2021-02-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Structural and molecular rationale for the diversification of resistance mediated by the Antibiotic_NAT family.
Commun Biol, 5, 2022
5YQ1
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BU of 5yq1 by Molmil
Crystal structure of E.coli aminopeptidase N in complex with O-Methyl-L-tyrosine
分子名称: Aminopeptidase N, GLYCEROL, MALONATE ION, ...
著者Marapaka, A.K, Ganji, R.J, Reddi, R, Addlagatta, A.
登録日2017-11-04
公開日2018-11-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Crystal structure of E.coli aminopeptidase N in complex with O-Methyl-L-tyrosine
To Be Published
5YSG
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BU of 5ysg by Molmil
X-ray Crystal Structure of Pseudoazurin Met16Gly Variant, Reduced Form.
分子名称: COPPER (II) ION, GLYCEROL, Pseudoazurin
著者Kohei, A, Yamaguchi, T, Kohzuma, T.
登録日2017-11-14
公開日2018-11-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献X-ray Crystal Structure of Pseudoazurin Met16Gly Variant, Reduced Form.
To Be Published
7LAO
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BU of 7lao by Molmil
Crystal structure of aminoglycoside acetyltransferase AAC(3)-IIb
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Aminoglycoside N(3)-acetyltransferase III, MAGNESIUM ION
著者Stogios, P.J, Evdokimova, E, Osipiuk, J, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2021-01-06
公開日2021-01-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Structural and molecular rationale for the diversification of resistance mediated by the Antibiotic_NAT family.
Commun Biol, 5, 2022
5YKP
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BU of 5ykp by Molmil
Human methionine aminopeptidase type 1b (F309M mutant) in complex with ovalicin
分子名称: 3,4-DIHYDROXY-2-METHOXY-4-METHYL-3-[2-METHYL-3-(3-METHYL-BUT-2-ENYL) -OXIRANYL]-CYCLOHEXANONE, COBALT (II) ION, Methionine aminopeptidase 1, ...
著者Arya, T, Pillalamarri, V, Addlagatta, A.
登録日2017-10-15
公開日2018-10-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Discovery of natural product ovalicin sensitive type 1 methionine aminopeptidases: molecular and structural basis.
Biochem. J., 476, 2019
8JZ0
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BU of 8jz0 by Molmil
Crystal structure of a single-chain monellin mutant C41A
分子名称: Monellin chain B,Monellin chain A
著者Yasui, N, Ohnuma, K, Yamashita, A.
登録日2023-07-04
公開日2023-10-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.229 Å)
主引用文献Investigating the Effect of Substituting a Single Cysteine Residue on the Thermal Stability of an Engineered Sweet Protein, Single-Chain Monellin.
Protein J., 42, 2023
4Y45
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BU of 4y45 by Molmil
Endothiapepsin in complex with fragment 291
分子名称: ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者Wang, X, Heine, A, Klebe, G.
登録日2015-02-10
公開日2016-02-17
実験手法X-RAY DIFFRACTION (1.06 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
8JTD
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BU of 8jtd by Molmil
BJOX2000.664 trimer in complex with Fab fragment of broadly neutralizing HIV antibody PGT145
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, PGT145 antibody fragment, ...
著者Chatterjee, A, Chen, C, Lee, K, Mangala Prasad, V.
登録日2023-06-21
公開日2023-10-25
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (4.9 Å)
主引用文献An HIV-1 broadly neutralizing antibody overcomes structural and dynamic variation through highly focused epitope targeting.
Npj Viruses, 1, 2023
3X2W
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BU of 3x2w by Molmil
Michaelis complex of cAMP-dependent Protein Kinase Catalytic Subunit
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CARBONATE ION, MAGNESIUM ION, ...
著者Das, A, Langan, P, Gerlits, O, Kovalevsky, A.Y, Heller, W.T.
登録日2015-01-02
公開日2015-12-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Protein Kinase A Catalytic Subunit Primed for Action: Time-Lapse Crystallography of Michaelis Complex Formation.
Structure, 23, 2015

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件を2024-07-17に公開中

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