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PDB: 45910 件
7FT5
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BU of 7ft5 by Molmil
SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with POB0093
分子名称: 1,2-ETHANEDIOL, 4-(4-methoxyphenyl)oxane-4-carboxylic acid, ALANINE, ...
著者Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E.
登録日2023-01-24
公開日2023-02-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献SDCBP PanDDA analysis group deposition
To Be Published
7FSO
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BU of 7fso by Molmil
SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z198195770
分子名称: 1,2-ETHANEDIOL, D-GLUTAMIC ACID, GLYCINE, ...
著者Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E.
登録日2023-01-24
公開日2023-02-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献SDCBP PanDDA analysis group deposition
To Be Published
7FSQ
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SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z1429867185
分子名称: 1,2-ETHANEDIOL, 4-methoxy-1H-indole, ALANINE, ...
著者Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E.
登録日2023-01-24
公開日2023-02-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献SDCBP PanDDA analysis group deposition
To Be Published
7FSS
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BU of 7fss by Molmil
SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z839706072
分子名称: 1,2-ETHANEDIOL, 2-(4-bromanylpyrazol-1-yl)-~{N}-cyclopropyl-~{N}-methyl-ethanamide, ALANINE, ...
著者Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E.
登録日2023-01-24
公開日2023-02-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献SDCBP PanDDA analysis group deposition
To Be Published
7FSZ
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BU of 7fsz by Molmil
SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z3006151474
分子名称: (5S)-5-(difluoromethoxy)pyridin-2(5H)-one, 1,2-ETHANEDIOL, D-GLUTAMIC ACID, ...
著者Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E.
登録日2023-01-24
公開日2023-02-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献SDCBP PanDDA analysis group deposition
To Be Published
7FT4
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BU of 7ft4 by Molmil
SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z48847594
分子名称: 1,2-ETHANEDIOL, ALANINE, D-GLUTAMIC ACID, ...
著者Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E.
登録日2023-01-24
公開日2023-02-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献SDCBP PanDDA analysis group deposition
To Be Published
7FT3
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BU of 7ft3 by Molmil
SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z291279160
分子名称: 1,2-ETHANEDIOL, 1-[2-(trifluoromethyloxy)phenyl]thiourea, ALANINE, ...
著者Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E.
登録日2023-01-24
公開日2023-02-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献SDCBP PanDDA analysis group deposition
To Be Published
8G63
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BU of 8g63 by Molmil
Ralimetinib (LY2228820) in complex with wild type EGFR
分子名称: Epidermal growth factor receptor, ralimetinib
著者Chitnis, S.P, Heppner, D.E.
登録日2023-02-14
公開日2023-10-11
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Inhibition of a lower potency target drives the anticancer activity of a clinical p38 inhibitor.
Cell Chem Biol, 30, 2023
2Q73
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BU of 2q73 by Molmil
Crystal structure of iMazG from Vibrio DAT 722: Ctag-iMazG (P41212)
分子名称: Hypothetical protein, MAGNESIUM ION
著者Robinson, A, Guilfoyle, A.P, Harrop, S.J, Boucher, Y, Stokes, H.W, Curmi, P.M.G, Mabbutt, B.C.
登録日2007-06-05
公開日2007-10-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A putative house-cleaning enzyme encoded within an integron array: 1.8 A crystal structure defines a new MazG subtype.
Mol.Microbiol., 66, 2007
3KBE
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BU of 3kbe by Molmil
Metal-free C. elegans Cu,Zn Superoxide Dismutase
分子名称: Superoxide dismutase [Cu-Zn]
著者Pakhomova, O.N, Taylor, A.B, Schuermann, J.P, Culotta, V.L, Hart, P.J.
登録日2009-10-20
公開日2010-10-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献X-ray Crystal Structure of C. elegans Cu,Zn Superoxide Dismutase
To be Published
1LOY
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BU of 1loy by Molmil
X-ray structure of the H40A/E58A mutant of Ribonuclease T1 complexed with 3'-guanosine monophosphate
分子名称: CALCIUM ION, GUANOSINE-3'-MONOPHOSPHATE, Guanyl-specific ribonuclease T1
著者Mignon, P, Steyaert, J, Loris, R, Geerlings, P, Loverix, S.
登録日2002-05-07
公開日2002-08-21
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献A nucleophile activation dyad in ribonucleases. A combined X-ray crystallographic/ab initio quantum chemical study
J.Biol.Chem., 277, 2002
1YL8
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BU of 1yl8 by Molmil
3D Solution Structure of [Tyr3]Octreotate derivatives in DMSO
分子名称: [Tyr3]Octreotate peptide
著者Spyroulias, G.A, Galanis, A.S, Petrou, C, Vahliotis, D, Sotiriou, P, Nikolopoulou, A, Nock, B, Maina, T, Cordopatis, P.
登録日2005-01-19
公開日2005-09-20
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献3D solution structure of [Tyr3]octreotate derivatives in DMSO: structure differentiation of peptide core due to chelate group attachment and biologically active conformation.
Med.Chem., 1, 2005
5OOP
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BU of 5oop by Molmil
Structure of CHK1 10-pt. mutant complex with AMP-PNP
分子名称: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase Chk1
著者Dokurno, P, Williamson, D.S, Acheson-Dossang, P, Chen, I, Murray, J.B, Shaw, T, Surgenor, A.E.
登録日2017-08-08
公開日2017-10-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1).
J. Med. Chem., 60, 2017
8DUA
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BU of 8dua by Molmil
SIV E660.CR54 SOS-2P Env Trimer with ITS92.02
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, Envelope glycoprotein gp41, ...
著者Gorman, J, Kwong, P.D.
登録日2022-07-27
公開日2022-10-26
最終更新日2022-11-30
実験手法ELECTRON MICROSCOPY (4.32 Å)
主引用文献Cryo-EM structures of prefusion SIV envelope trimer.
Nat.Struct.Mol.Biol., 29, 2022
3OW4
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BU of 3ow4 by Molmil
Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors
分子名称: (2R)-3-(1H-indol-3-yl)-1-{4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl}-1-oxopropan-2-amine, GSK 3 beta peptide, RAC-alpha serine/threonine-protein kinase
著者Dizon, F, Wu, W, Vigers, G.P.A, Brandhuber, B.J.
登録日2010-09-17
公開日2010-11-10
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
1YL9
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BU of 1yl9 by Molmil
3D Solution Structure of [Tyr3]Octreotate derivatives in DMSO
分子名称: 3-[(2-AMINOETHYL)AMINO]-2-{[(2-AMINOETHYL)AMINO]METHYL}PROPANAL, [Tyr3]Octreotate
著者Spyroulias, G.A, Galanis, A.S, Petrou, C, Vahliotis, D, Sotiriou, P, Nikolopoulou, A, Nock, B, Maina, T, Cordopatis, P.
登録日2005-01-19
公開日2005-09-20
最終更新日2022-03-02
実験手法SOLUTION NMR
主引用文献3D solution structure of [Tyr3]octreotate derivatives in DMSO: structure differentiation of peptide core due to chelate group attachment and biologically active conformation.
Med.Chem., 1, 2005
4R4F
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BU of 4r4f by Molmil
Crystal structure of non-neutralizing, A32-like antibody 2.2c in complex with HIV-1 YU2 gp120
分子名称: (R,R)-2,3-BUTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody 2.2c LIGHT CHAIN, ...
著者Acharya, P, Kwong, P.D.
登録日2014-08-19
公開日2014-09-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.514 Å)
主引用文献Structural Definition of an Antibody-Dependent Cellular Cytotoxicity Response Implicated in Reduced Risk for HIV-1 Infection.
J.Virol., 88, 2014
2Q8Z
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BU of 2q8z by Molmil
Crystal structure of Plasmodium falciparum orotidine 5'-phosphate decarboxylase complexed with 6-amino-UMP
分子名称: 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 6-AMINOURIDINE 5'-MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, ...
著者Liu, Y, Lau, W, Bello, A.M, Kotra, L.P, Hui, R, Pai, E.F.
登録日2007-06-12
公開日2008-01-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-Activity Relationships of C6-Uridine Derivatives Targeting Plasmodia Orotidine Monophosphate Decarboxylase.
J.Med.Chem., 51, 2008
1B7I
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BU of 1b7i by Molmil
TYPE III ANTIFREEZE PROTEIN ISOFORM HPLC 12 K61R
分子名称: PROTEIN (ANTIFREEZE PROTEIN TYPE III)
著者Graether, S.P, Deluca, C.I, Baardsnes, J, Hill, G.A, Davies, P.L, Jia, Z.
登録日1999-01-24
公開日1999-04-30
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Quantitative and qualitative analysis of type III antifreeze protein structure and function.
J.Biol.Chem., 274, 1999
5OP5
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BU of 5op5 by Molmil
Structure of CHK1 10-pt. mutant complex with pyrrolopyrimidine LRRK2 inhibitor
分子名称: 3-[4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile, CHLORIDE ION, Serine/threonine-protein kinase Chk1
著者Dokurno, P, Williamson, D.S, Acheson-Dossang, P, Chen, I, Murray, J.B, Shaw, T, Surgenor, A.E.
登録日2017-08-09
公開日2017-10-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1).
J. Med. Chem., 60, 2017
3ZVY
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BU of 3zvy by Molmil
PHD finger of human UHRF1 in complex with unmodified histone H3 N- terminal tail
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, E3 UBIQUITIN-PROTEIN LIGASE UHRF1, ...
著者Lallous, N, Birck, C, Mc Ewen, A.G, Legrand, P, Samama, J.P.
登録日2011-07-28
公開日2011-12-07
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The Phd Finger of Human Uhrf1 Reveals a New Subgroup of Unmethylated Histone H3 Tail Readers.
Plos One, 6, 2011
3I5E
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BU of 3i5e by Molmil
Allosteric Modulation of DNA by Small Molecules
分子名称: 5'-D(*CP*CP*AP*GP*GP*CP*CP*TP*GP*G)-3', CALCIUM ION
著者Chenoweth, D.M, Dervan, P.B.
登録日2009-07-05
公開日2009-07-28
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Allosteric modulation of DNA by small molecules
Proc.Natl.Acad.Sci.USA, 106, 2009
8G58
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Tau (297-391) in vitro untwisted fibril
分子名称: Microtubule-associated protein tau
著者Duan, P, Dregni, A.J, Mammeri, N.E, Hong, M.
登録日2023-02-12
公開日2023-11-08
最終更新日2024-05-15
実験手法SOLID-STATE NMR
主引用文献Structure of the nonhelical filament of the Alzheimer's disease tau core.
Proc.Natl.Acad.Sci.USA, 120, 2023
3P1C
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BU of 3p1c by Molmil
Crystal structure of the bromodomain of human CREBBP in complex with acetylated lysine
分子名称: CREB-binding protein, N(6)-ACETYLLYSINE, POTASSIUM ION, ...
著者Filippakopoulos, P, Picaud, S, Feletar, I, Fedorov, O, Muniz, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2010-09-30
公開日2010-11-24
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
3HMI
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BU of 3hmi by Molmil
The crystal structure of human ABL2 in complex with 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE
分子名称: 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE, Tyrosine-protein kinase ABL2
著者Ugochukwu, E, Salah, E, Barr, A, Mahajan, P, Shrestha, B, Savitsky, P, Chaikuad, A, Allerston, C, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2009-05-29
公開日2009-07-07
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献The crystal structure of human ABL2 in complex with 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE
To be Published

223790

件を2024-08-14に公開中

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