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6URI
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BU of 6uri by Molmil
HIV-1 Nef in complex with the CD4 cytoplasmic domain and the AP2 clathrin adaptor complex
分子名称: AP-2 complex subunit alpha, AP-2 complex subunit beta, AP-2 complex subunit mu, ...
著者Jia, X, Kwon, Y.
登録日2019-10-23
公開日2020-07-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural basis of CD4 downregulation by HIV-1 Nef.
Nat.Struct.Mol.Biol., 27, 2020
6C2H
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BU of 6c2h by Molmil
Crystal Structures of Cystathionine beta-Synthase from Saccharomyces cerevisiae: the Structure of the Catalytic Core
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
著者Kreinbring, C.A, Tu, Y, Liu, D, Petsko, G.A, Ringe, D.
登録日2018-01-08
公開日2018-04-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Crystal Structures of Cystathionine beta-Synthase from Saccharomyces cerevisiae: One Enzymatic Step at a Time.
Biochemistry, 57, 2018
5AY7
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BU of 5ay7 by Molmil
A psychrophilic glycoside hydrolase family 10 endo-beta-1,4-xylanase
分子名称: xylanase
著者Zheng, Y, Li, Y, Liu, W, Guo, R.T.
登録日2015-08-10
公開日2016-02-24
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural insight into potential cold adaptation mechanism through a psychrophilic glycoside hydrolase family 10 endo-beta-1,4-xylanase.
J.Struct.Biol., 193, 2016
4OUF
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BU of 4ouf by Molmil
Crystal Structure of CBP bromodomain
分子名称: 1,2-ETHANEDIOL, CREB-binding protein, DI(HYDROXYETHYL)ETHER
著者Roy, S, Das, C, Tyler, J.K, Kutateladze, T.G.
登録日2014-02-17
公開日2014-03-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Binding of the histone chaperone ASF1 to the CBP bromodomain promotes histone acetylation.
Proc.Natl.Acad.Sci.USA, 111, 2014
3N1D
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BU of 3n1d by Molmil
Crystal structure of the complex of type I ribosome inactivating protein with ribose at 1.7A resolution
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Pandey, N, Kushwaha, G.S, Sinha, M, Kaur, P, Betzel, C, Sharma, S, Singh, T.P.
登録日2010-05-15
公開日2010-06-23
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of the complex of type I ribosome inactivating protein with ribose at 1.7A resolution
To be Published
3N6K
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BU of 3n6k by Molmil
Human FPPS complex with NOV_823
分子名称: 1-(carboxymethyl)-1H-benzo[g]indole-2-carboxylic acid, FARNESYL PYROPHOSPHATE SYNTHASE, PHOSPHATE ION
著者Rondeau, J.-M.
登録日2010-05-26
公開日2010-08-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery.
Nat.Chem.Biol., 6, 2010
3N84
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BU of 3n84 by Molmil
Crystal Structure of the Grb2 SH2 Domain in Complex with a 23-Membered Macrocyclic Ligand Having the Sequence pYVNVP
分子名称: 23-membered peptide-like macrocyclic ligand, CHLORIDE ION, GLYCEROL, ...
著者Clements, J.H, Martin, S.F.
登録日2010-05-27
公開日2011-01-12
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Thermodynamic and Structural Effects of Macrocyclization as a Constraining Method in Protein-Ligand Interactions.
ACS MED.CHEM.LETT., 1, 2010
5C6S
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BU of 5c6s by Molmil
Human Bromodomain and PHD Finger Containing 1, PWWP domain in complex with XST005904a
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, Peregrin, ...
著者DONG, A, DOBROVETSKY, E, MADER, P, Santhakumar, S, TEMPEL, W, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, Structural Genomics Consortium (SGC)
登録日2015-06-23
公開日2015-07-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Human Bromodomain and PHD Finger Containing 1, PWWP domain in complex with XST005904a
to be published
5BQ2
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BU of 5bq2 by Molmil
Crystal structure of UDP-N-acetylglucosamine 1-carboxyvinyltransferase (UDP-N-acetylglucosamine enolpyruvyl transferase, EPT) from Pseudomonas aeruginosa
分子名称: MAGNESIUM ION, UDP-N-acetylglucosamine 1-carboxyvinyltransferase, URIDINE-DIPHOSPHATE-2(N-ACETYLGLUCOSAMINYL) BUTYRIC ACID
著者SSGCID, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2015-05-28
公開日2015-07-15
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of UDP-N-acetylglucosamine 1-carboxyvinyltransferase (UDP-N-acetylglucosamine enolpyruvyl transferase, EPT) from Pseudomonas aeruginosa
to be published
4LYM
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BU of 4lym by Molmil
CRYSTAL STRUCTURE OF LOW HUMIDITY TETRAGONAL LYSOZYME AT 2.1-ANGSTROMS RESOLUTION. VARIABILITY IN HYDRATION SHELL AND ITS STRUCTURAL CONSEQUENCES
分子名称: HEN EGG WHITE LYSOZYME
著者Kodandapani, R, Suresh, C.G, Vijayan, M.
登録日1990-07-30
公開日1991-10-15
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of low humidity tetragonal lysozyme at 2.1-A resolution. Variability in hydration shell and its structural consequences.
J.Biol.Chem., 265, 1990
4M94
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BU of 4m94 by Molmil
d(ATCCGTTATAACGGAT) complexed with Moloney Murine Leukemia virus reverse transcriptase catalytic fragment
分子名称: 1,2-ETHANEDIOL, 5' d(ATCCGttA) 3', 5' d(TAACGGAT) 3', ...
著者Singh, I.
登録日2013-08-14
公開日2014-03-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献The structure of an authentic spore photoproduct lesion in DNA suggests a basis for recognition.
Acta Crystallogr.,Sect.D, 70, 2014
3WTH
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BU of 3wth by Molmil
Crystal Structure of Lymnaea stagnalis Acetylcholine-Binding Protein Q55R Mutant Complexed with Imidacloprid
分子名称: (2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine, Acetylcholine-binding protein
著者Okajima, T, Ihara, M, Yamashita, A, Oda, T, Matsuda, K.
登録日2014-04-11
公開日2015-02-04
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Studies on an acetylcholine binding protein identify a basic residue in loop G on the beta 1 strand as a new structural determinant of neonicotinoid actions
Mol.Pharmacol., 86, 2014
6CTS
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BU of 6cts by Molmil
PROPOSED MECHANISM FOR THE CONDENSATION REACTION OF CITRATE SYNTHASE. 1.9-ANGSTROMS STRUCTURE OF THE TERNARY COMPLEX WITH OXALOACETATE AND CARBOXYMETHYL COENZYME A
分子名称: CITRATE SYNTHASE, CITRYL-THIOETHER-COENZYME *A
著者Karpusas, M, Branchaud, B, Remington, S.J.
登録日1989-11-16
公開日1990-10-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Proposed mechanism for the condensation reaction of citrate synthase: 1.9-A structure of the ternary complex with oxaloacetate and carboxymethyl coenzyme A.
Biochemistry, 29, 1990
2W5A
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BU of 2w5a by Molmil
Human Nek2 kinase ADP-bound
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Westwood, I, Bayliss, R.
登録日2008-12-08
公開日2008-12-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Insights Into the Conformational Variability and Regulation of Human Nek2 Kinase.
J.Mol.Biol., 386, 2009
1NAH
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BU of 1nah by Molmil
UDP-GALACTOSE 4-EPIMERASE FROM ESCHERICHIA COLI, REDUCED
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Thoden, J.B, Frey, P.A, Holden, H.M.
登録日1995-11-22
公開日1996-12-23
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structures of the oxidized and reduced forms of UDP-galactose 4-epimerase isolated from Escherichia coli.
Biochemistry, 35, 1996
1JKZ
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BU of 1jkz by Molmil
NMR Solution Structure of Pisum sativum defensin 1 (Psd1)
分子名称: DEFENSE-RELATED PEPTIDE 1
著者Almeida, M.S, Cabral, K.M.S, Kurtenbach, E, Almeida, F.C.L, Valente, A.P.
登録日2001-07-13
公開日2002-02-06
最終更新日2024-10-30
実験手法SOLUTION NMR
主引用文献Solution structure of Pisum sativum defensin 1 by high resolution NMR: plant defensins, identical backbone with different mechanisms of action.
J.Mol.Biol., 315, 2002
9HPP
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BU of 9hpp by Molmil
Helical form of Citropin 1.3
分子名称: Citropin-1.3
著者Bloch, Y, Rayan, B, Landau, M.
登録日2024-12-13
公開日2025-10-08
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Structural and Functional Versatility of the Amyloidogenic Non-Amidated Variant of the Antimicrobial Peptide Citropin 1.3.
Adv Sci, 2025
3K83
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BU of 3k83 by Molmil
Crystal Structure Analysis of a Biphenyl/Oxazole/Carboxypyridine alpha-ketoheterocycle Inhibitor Bound to a Humanized Variant of Fatty Acid Amide Hydrolase
分子名称: 1-DODECANOL, 6-[2-(3-biphenyl-4-ylpropanoyl)-1,3-oxazol-5-yl]pyridine-2-carboxylic acid, CHLORIDE ION, ...
著者Mileni, M, Stevens, R.C, Boger, D.L.
登録日2009-10-13
公開日2009-12-01
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.251 Å)
主引用文献X-ray crystallographic analysis of alpha-ketoheterocycle inhibitors bound to a humanized variant of fatty acid amide hydrolase.
J.Med.Chem., 53, 2010
6CHA
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BU of 6cha by Molmil
STRUCTURE OF A TETRAHEDRAL TRANSITION STATE COMPLEX OF ALPHA-*CHYMOTRYPSIN AT 1.8-*ANGSTROMS RESOLUTION
分子名称: ALPHA-CHYMOTRYPSIN A, PHENYLETHANE BORONIC ACID
著者Tulinsky, A, Blevins, R.A.
登録日1987-02-06
公開日1987-04-16
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of a tetrahedral transition state complex of alpha-chymotrypsin dimer at 1.8-A resolution.
J.Biol.Chem., 262, 1987
7ZM8
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BU of 7zm8 by Molmil
CryoEM structure of mitochondrial complex I from Chaetomium thermophilum (inhibited by DDM) - membrane arm
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ...
著者Laube, E, Kuehlbrandt, W.
登録日2022-04-19
公開日2022-11-30
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (2.76 Å)
主引用文献Conformational changes in mitochondrial complex I of the thermophilic eukaryote Chaetomium thermophilum.
Sci Adv, 8, 2022
5C2G
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BU of 5c2g by Molmil
GWS1B RubisCO: Form II RubisCO derived from uncultivated Gallionellacea species (CABP-bound).
分子名称: 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, Form II RubisCO, MAGNESIUM ION
著者Arbing, M.A, Varaljay, V.A, Satagopan, S, Tabita, F.R.
登録日2015-06-15
公開日2015-12-16
最終更新日2025-04-02
実験手法X-RAY DIFFRACTION (2.597 Å)
主引用文献Functional metagenomic selection of ribulose 1, 5-bisphosphate carboxylase/oxygenase from uncultivated bacteria.
Environ.Microbiol., 18, 2016
7SVL
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BU of 7svl by Molmil
DPP9 IN COMPLEX WITH LIGAND ICeD-2
分子名称: (2S)-2-amino-1-(1,3-dihydro-2H-isoindol-2-yl)-2-[(1r,4S)-4-(pyrrolidin-1-yl)cyclohexyl]ethan-1-one, Dipeptidyl peptidase 9
著者Lammens, A, Hollenstein, K, Klein, D.J.
登録日2021-11-19
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献A Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells.
Acs Chem.Biol., 17, 2022
5G1D
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BU of 5g1d by Molmil
The complex structure of syntenin-1 PDZ domain with c-terminal extension
分子名称: SYNDECAN-4, SYNTENIN-1
著者Lee, I, Kim, H, Yun, J.H, Lee, W.
登録日2016-03-25
公開日2016-11-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献New Structural Insight of C-Terminal Region of Syntenin-1, Enhancing the Molecular Dimerization and Inhibitory Function Related on Syndecan-4 Signaling.
Sci.Rep., 6, 2016
7ZME
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BU of 7zme by Molmil
CryoEM structure of mitochondrial complex I from Chaetomium thermophilum (state 2) - membrane arm
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ...
著者Laube, E, Kuehlbrandt, W.
登録日2022-04-19
公開日2022-11-30
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (2.83 Å)
主引用文献Conformational changes in mitochondrial complex I of the thermophilic eukaryote Chaetomium thermophilum.
Sci Adv, 8, 2022
3KDB
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BU of 3kdb by Molmil
Crystal Structure of HIV-1 Protease (Q7K, L33I, L63I) in Complex with KNI-10006
分子名称: (4R)-3-[(2S,3S)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, GLYCEROL, Protease
著者Chufan, E.E, Lafont, V, Freire, E, Amzel, L.M.
登録日2009-10-22
公開日2010-03-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献How much binding affinity can be gained by filling a cavity?
Chem.Biol.Drug Des., 75, 2010

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