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5D38
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BU of 5d38 by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 17 round 7-2
分子名称: De novo kemp eliminase KE07 round 7-2
著者Jackson, C.J, Hong, N.-S, Carr, P.D.
登録日2015-08-06
公開日2016-09-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.427 Å)
主引用文献Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 17 round 7-2
To Be Published
5D32
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BU of 5d32 by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 11 round 6
分子名称: De novo kemp eliminase KE07 round 6
著者Jackson, C.J, Hong, N.-S, Carr, P.D.
登録日2015-08-06
公開日2016-09-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 11 round 6
To Be Published
5DG5
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BU of 5dg5 by Molmil
CRYSTAL STRUCTURE OF THE TYROSINE KINASE DOMAIN OF THE HEPATOCYTE GROWTH FACTOR RECEPTOR C-MET IN COMPLEX WITH ALTIRATINIB ANALOG DP-4157
分子名称: Hepatocyte growth factor receptor, N-(2,5-difluoro-4-{[2-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yl]oxy}phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxam ide
著者Smith, B.D, Kaufman, M.D, Leary, C.B, Turner, B.A, Wise, S.A, Ahn, Y.M, Booth, R.J, Caldwell, T.M, Ensinger, C.L, Hood, M.M, Lu, W.-P, Patt, T.W, Patt, W.C, Rutkoski, T.J, Samarakoon, T, Telikepalli, H, Vogeti, L, Vogeti, S, Yates, K.M, Chun, L, Stewart, L.J, Clare, M, Flynn, D.L.
登録日2015-08-27
公開日2016-08-31
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Altiratinib Inhibits Tumor Growth, Invasion, Angiogenesis, and Microenvironment-Mediated Drug Resistance via Balanced Inhibition of MET, TIE2, and VEGFR2.
Mol.Cancer Ther., 14, 2015
5CY0
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BU of 5cy0 by Molmil
Total Chemical Synthesis, Covalent Structure Verification, and X-ray Structure of Bioactive Ts3 Toxin by Racemic Protein Crystallography
分子名称: GLYCEROL, Ts3 Toxin
著者Dang, B, Kubota, T, Mandal, K, Correa, A.M, Bezanilla, F, Kent, S.B.
登録日2015-07-29
公開日2016-06-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Elucidation of the Covalent and Tertiary Structures of Biologically Active Ts3 Toxin.
Angew.Chem.Int.Ed.Engl., 55, 2016
5D37
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BU of 5d37 by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 16 round 7
分子名称: De novo kemp eliminase KE07 round 7
著者Jackson, C.J, Hong, N.-S, Carr, P.D.
登録日2015-08-06
公開日2016-09-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 16 round 7
To Be Published
5DLZ
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BU of 5dlz by Molmil
FIRST DOMAIN OF HUMAN BROMODOMAIN BRD4 IN COMPLEX WITH INHIBITOR 4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]-N-({1-[(3-methylphe methyl]piperidin-4-yl}methyl)butanamide
分子名称: Bromodomain-containing protein 4, N-{[1-(3-methylbenzyl)piperidin-4-yl]methyl}-4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]butanamide
著者Raux, B, Rebuffet, E, Betzi, S, Morelli, X.
登録日2015-09-07
公開日2016-06-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Protein-Protein Interaction Inhibition (2P2I)-Oriented Chemical Library Accelerates Hit Discovery.
Acs Chem.Biol., 11, 2016
7RRO
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BU of 7rro by Molmil
Structure of the 48-nm repeat doublet microtubule from bovine tracheal cilia
分子名称: Armadillo repeat containing 4, Chromosome 3 C1orf194 homolog, Cilia and flagella associated protein 161, ...
著者Gui, M, Anderson, J.R, Botsch, J.J, Meleppattu, S, Singh, S.K, Zhang, Q, Brown, A.
登録日2021-08-10
公開日2021-10-27
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献De novo identification of mammalian ciliary motility proteins using cryo-EM.
Cell, 184, 2021
2HD7
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BU of 2hd7 by Molmil
Solution structure of C-teminal domain of twinfilin-1.
分子名称: Twinfilin-1
著者Hellman, M.H, Paavilainen, V.O, Annila, A, Lappalainen, P, Permi, P.I.
登録日2006-06-20
公開日2007-02-06
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Structural basis and evolutionary origin of actin filament capping by twinfilin
Proc.Natl.Acad.Sci.Usa, 104, 2007
3MQY
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BU of 3mqy by Molmil
SgrAI with cleaved DNA and Magnesium bound
分子名称: DNA (5'-D(*GP*AP*GP*TP*CP*CP*A)-3'), DNA (5'-D(P*CP*CP*GP*GP*TP*GP*GP*AP*CP*TP*C)-3'), MAGNESIUM ION, ...
著者Dunten, P.W, Horton, N.C, Little, E.J.
登録日2010-04-28
公開日2010-11-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献New clues in the allosteric activation of DNA cleavage by SgrAI: structures of SgrAI bound to cleaved primary-site DNA and uncleaved secondary-site DNA.
Acta Crystallogr.,Sect.D, 67, 2011
2DC1
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BU of 2dc1 by Molmil
Crystal Structure Of L-Aspartate Dehydrogenase From Hyperthermophilic Archaeon Archaeoglobus fulgidus
分子名称: CITRIC ACID, L-aspartate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Yoneda, K, Sakuraba, H, Tsuge, H, Ohshima, T.
登録日2005-12-19
公開日2006-12-26
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of archaeal highly thermostable L-aspartate dehydrogenase/NAD/citrate ternary complex.
Febs J., 274, 2007
1JOL
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BU of 1jol by Molmil
THE CRYSTAL STRUCTURE OF THE BINARY COMPLEX BETWEEN FOLINIC ACID (LEUCOVORIN) AND E. COLI DIHYDROFOLATE REDUCTASE
分子名称: CALCIUM ION, CHLORIDE ION, DIHYDROFOLATE REDUCTASE, ...
著者Lee, H, Reyes, V.M, Kraut, J.
登録日1996-02-25
公開日1996-11-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Crystal structures of Escherichia coli dihydrofolate reductase complexed with 5-formyltetrahydrofolate (folinic acid) in two space groups: evidence for enolization of pteridine O4.
Biochemistry, 35, 1996
1JOM
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BU of 1jom by Molmil
THE CRYSTAL STRUCTURE OF THE BINARY COMPLEX BETWEEN FOLINIC ACID (LEUCOVORIN) AND E. COLI DIHYDROFOLATE REDUCTASE
分子名称: CALCIUM ION, CHLORIDE ION, DIHYDROFOLATE REDUCTASE, ...
著者Reyes, V.M, Lee, H, Kraut, J.
登録日1996-02-25
公開日1996-11-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structures of Escherichia coli dihydrofolate reductase complexed with 5-formyltetrahydrofolate (folinic acid) in two space groups: evidence for enolization of pteridine O4.
Biochemistry, 35, 1996
7A3M
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BU of 7a3m by Molmil
Synergistic stabilization of a double mutant in CI2 from an in-cell library screen
分子名称: Subtilisin-chymotrypsin inhibitor-2A
著者Olsen, J.G, Teilum, K, Hamborg, L, Roche, J.V.
登録日2020-08-18
公開日2020-12-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.01 Å)
主引用文献Synergistic stabilization of a double mutant in chymotrypsin inhibitor 2 from a library screen in E. coli.
Commun Biol, 4, 2021
4PQU
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BU of 4pqu by Molmil
Crystal structure of HIV-1 Reverse Transcriptase in complex with RNA/DNA and dATP
分子名称: 1,2-ETHANEDIOL, 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 5'-D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*G)-3', ...
著者Das, K, Bandwar, R.P, Arnold, E.
登録日2014-03-04
公開日2014-06-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.508 Å)
主引用文献Structures of HIV-1 RT-RNA/DNA ternary complexes with dATP and nevirapine reveal conformational flexibility of RNA/DNA: insights into requirements for RNase H cleavage.
Nucleic Acids Res., 42, 2014
1HAN
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BU of 1han by Molmil
CRYSTAL STRUCTURE OF THE BIPHENYL-CLEAVING EXTRADIOL DIOXYGENASE FROM A PCB-DEGRADING PSEUDOMONAD
分子名称: 2,3-DIHYDROXYBIPHENYL 1,2-DIOXYGENASE, FE (III) ION, TERTIARY-BUTYL ALCOHOL
著者Han, S, Bolin, J.T.
登録日1995-08-30
公開日1995-11-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the biphenyl-cleaving extradiol dioxygenase from a PCB-degrading pseudomonad.
Science, 270, 1995
5E4R
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BU of 5e4r by Molmil
Crystal structure of domain-duplicated synthetic class II ketol-acid reductoisomerase 2Ia_KARI-DD
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Ketol-acid reductoisomerase, ...
著者Cahn, J.K.B, Brinkmann-Chen, S, Buller, A.R, Arnold, F.H.
登録日2015-10-07
公開日2015-12-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Artificial domain duplication replicates evolutionary history of ketol-acid reductoisomerases.
Protein Sci., 25, 2016
5CZL
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BU of 5czl by Molmil
Crystal structure of a novel GH8 endo-beta-1,4-glucanase from an Achatina fulica gut metagenomic library
分子名称: Glucanase, PHOSPHATE ION
著者Scapin, S.M.N, Souza, F.H.M, Zanphorlin, L.M, Almeida, T.S, Sade, Y.B, Cardoso, A.M, Pinheiro, G.L, Murakami, M.T.
登録日2015-07-31
公開日2016-08-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.391 Å)
主引用文献Crystal structure of a novel GH8 endo-beta-1,4-glucanase from an Achatina fulica gut metagenomic library
To Be Published
8BHF
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BU of 8bhf by Molmil
Cryo-EM structure of stalled rabbit 80S ribosomes in complex with human CCR4-NOT and CNOT4
分子名称: 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S11, ...
著者Absmeier, E, Chandrasekaran, V, O'Reilly, F.J, Stowell, J.A.W, Rappsilber, J, Passmore, L.A.
登録日2022-10-31
公開日2023-09-06
最終更新日2023-11-01
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Modulation of GluA2-gamma 5 synaptic complex desensitization, polyamine block and antiepileptic perampanel inhibition by auxiliary subunit cornichon-2.
Nat.Struct.Mol.Biol., 30, 2023
5D30
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BU of 5d30 by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 9 Round 5
分子名称: De novo kemp eliminase KE07 round 5
著者Jackson, C.J, Hong, N.-S, Carr, P.D.
登録日2015-08-06
公開日2016-09-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 9 Round 5
To Be Published
8FJZ
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BU of 8fjz by Molmil
Crystal structure of HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with 3-{4-[(3R,5S)-3-Amino-5-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile
分子名称: (3P)-3-{4-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile, Mitogen-activated protein kinase kinase kinase kinase 1
著者McTigue, M, Johnson, E, Cronin, C.
登録日2022-12-20
公開日2023-04-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.897 Å)
主引用文献Design and Synthesis of Functionally Active 5-Amino-6-Aryl Pyrrolopyrimidine Inhibitors of Hematopoietic Progenitor Kinase 1.
J.Med.Chem., 66, 2023
8FP3
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BU of 8fp3 by Molmil
PKCeta kinase domain in complex with compound 11
分子名称: (3P)-3-{4-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile, Protein kinase C eta type
著者Johnson, E.
登録日2023-01-03
公開日2023-04-05
最終更新日2023-04-26
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design and Synthesis of Functionally Active 5-Amino-6-Aryl Pyrrolopyrimidine Inhibitors of Hematopoietic Progenitor Kinase 1.
J.Med.Chem., 66, 2023
8FH4
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BU of 8fh4 by Molmil
Crystal structure of HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with 3-[6-chloro-4-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undec-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile
分子名称: (3P)-3-[6-chloro-4-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile, Mitogen-activated protein kinase kinase kinase kinase 1, SULFATE ION
著者McTigue, M, Johnson, E, Cronin, C.
登録日2022-12-13
公開日2023-04-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.827 Å)
主引用文献Design and Synthesis of Functionally Active 5-Amino-6-Aryl Pyrrolopyrimidine Inhibitors of Hematopoietic Progenitor Kinase 1.
J.Med.Chem., 66, 2023
8FKO
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BU of 8fko by Molmil
Crystal structure of HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with 3-{4-[(2S,5R)-5-Amino-2-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile
分子名称: (3P)-3-{4-[(2S,5R)-5-amino-2-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile, Mitogen-activated protein kinase kinase kinase kinase 1
著者McTigue, M, Johnson, E, Cronin, C.
登録日2022-12-21
公開日2023-04-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.104 Å)
主引用文献Design and Synthesis of Functionally Active 5-Amino-6-Aryl Pyrrolopyrimidine Inhibitors of Hematopoietic Progenitor Kinase 1.
J.Med.Chem., 66, 2023
8FP1
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BU of 8fp1 by Molmil
PKCeta kinase domain in complex with compound 2
分子名称: (3P)-3-[6-chloro-4-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile, Protein kinase C eta type
著者Johnson, E.
登録日2023-01-03
公開日2023-04-05
最終更新日2023-04-26
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Design and Synthesis of Functionally Active 5-Amino-6-Aryl Pyrrolopyrimidine Inhibitors of Hematopoietic Progenitor Kinase 1.
J.Med.Chem., 66, 2023
5D6B
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BU of 5d6b by Molmil
Human fumarase (wild type)
分子名称: Fumarate hydratase, mitochondrial
著者Pereira de Padua, R.A, Nonato, M.C.
登録日2015-08-11
公開日2016-08-24
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Cloning, expression, purification, crystallization and preliminary X-ray diffraction analysis of recombinant human fumarase.
Acta Crystallogr F Struct Biol Commun, 70, 2014

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件を2024-08-07に公開中

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