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3O3X
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Crystal structure of gp41-5, a single-chain 5-helix-bundle based on HIV gp41
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ISOPROPYL ALCOHOL, gp41-5
著者Horne, W.S, Johnson, L.M, Gellman, S.H.
登録日2010-07-26
公開日2011-07-27
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Broad Distribution of Energetically Important Contacts across an Extended Protein Interface.
J.Am.Chem.Soc., 133, 2011
7EFS
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BU of 7efs by Molmil
Fructose-bisphosphate aldolase in Artemisia sieversiana pollen
分子名称: Fructose-bisphosphate aldolase
著者Li, Z, Wei, C, Ji Fu, W, Zhi Qiang, X.
登録日2021-03-23
公開日2022-03-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Identification of fructose-bisphosphate aldose as a novel type of major allergen from Artemisia pollen
To Be Published
3O2E
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BU of 3o2e by Molmil
Crystal structure of a bol-like protein from babesia bovis
分子名称: BolA-like protein, IODIDE ION, MAGNESIUM ION
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2010-07-22
公開日2010-10-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献SAD phasing using iodide ions in a high-throughput structural genomics environment.
J.Struct.Funct.Genom., 12, 2011
6F0N
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BU of 6f0n by Molmil
GLIC mutant E82A
分子名称: ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ...
著者Hu, H.D, Delarue, M.
登録日2017-11-20
公開日2018-01-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Full mutational mapping of titratable residues helps to identify proton-sensors involved in the control of channel gating in the Gloeobacter violaceus pentameric ligand-gated ion channel.
PLoS Biol., 15, 2017
6F15
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BU of 6f15 by Molmil
GLIC mutant H127Q
分子名称: ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ...
著者Hu, H.D, Delarue, M.
登録日2017-11-21
公開日2018-01-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Full mutational mapping of titratable residues helps to identify proton-sensors involved in the control of channel gating in the Gloeobacter violaceus pentameric ligand-gated ion channel.
PLoS Biol., 15, 2017
3NYD
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BU of 3nyd by Molmil
Crystal Structure of Kemp Eliminase HG-2 Complexed with Transition State Analog 5-Nitro Benzotriazole
分子名称: 5-nitro-1H-benzotriazole, ACETATE ION, Endo-1,4-beta-xylanase, ...
著者Lee, T.M, Privett, H.K, Kaiser, J.T, Mayo, S.L.
登録日2010-07-14
公開日2011-06-29
最終更新日2012-04-25
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献Iterative approach to computational enzyme design.
Proc.Natl.Acad.Sci.USA, 109, 2012
6SHM
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BU of 6shm by Molmil
An inactive (D136A and D137A) variant of alpha-1,6-mannanase, GH76A of Salegentibacter sp. HEL1_6 in complex with alpha-1,6-mannotetrose
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, Mutant alpha-1,6-mannanase GH76A, ...
著者Hehemann, J.H, Solanki, V.
登録日2019-08-07
公開日2020-09-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Glycoside hydrolase from the GH76 family indicates that marine Salegentibacter sp. Hel_I_6 consumes alpha-mannan from fungi.
Isme J, 2022
3O0M
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BU of 3o0m by Molmil
Crystal structure of a ZN-bound histidine triad family protein from Mycobacterium smegmatis
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ADENOSINE MONOPHOSPHATE, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2010-07-19
公開日2010-08-04
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
6F0M
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BU of 6f0m by Molmil
GLIC mutant E35Q
分子名称: ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ...
著者Hu, H.D, Delarue, M.
登録日2017-11-20
公開日2018-01-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Full mutational mapping of titratable residues helps to identify proton-sensors involved in the control of channel gating in the Gloeobacter violaceus pentameric ligand-gated ion channel.
PLoS Biol., 15, 2017
6F16
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BU of 6f16 by Molmil
GLIC mutant H277Q
分子名称: ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ...
著者Hu, H.D, Delarue, M.
登録日2017-11-21
公開日2018-01-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Full mutational mapping of titratable residues helps to identify proton-sensors involved in the control of channel gating in the Gloeobacter violaceus pentameric ligand-gated ion channel.
PLoS Biol., 15, 2017
6F3L
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BU of 6f3l by Molmil
The crystal structure of Glycogen Phosphorylase in complex with 10b
分子名称: 6-[5-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-1~{H}-1,2,4-triazol-3-yl]naphthalene-2-carboxylic acid, Glycogen phosphorylase, muscle form, ...
著者Kyriakis, E, Barkas, T.A, Stravodimos, G.A, Skamnaki, V.T, Leonidas, D.D.
登録日2017-11-28
公開日2018-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A multidisciplinary study of 3-( beta-d-glucopyranosyl)-5-substituted-1,2,4-triazole derivatives as glycogen phosphorylase inhibitors: Computation, synthesis, crystallography and kinetics reveal new potent inhibitors.
Eur J Med Chem, 147, 2018
3NXE
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BU of 3nxe by Molmil
X-ray structure of ester chemical analogue 'covalent dimer' [Ile50,O-Ile50']HIV-1 protease complexed with MVT-101 inhibitor
分子名称: N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, SULFATE ION, protease covalent dimer
著者Torbeev, V.Y, Kent, S.B.H.
登録日2010-07-13
公開日2011-11-02
最終更新日2012-12-12
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
3O6W
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BU of 3o6w by Molmil
Crystal structure of monomeric KlHxk1 in crystal form VIII (open state)
分子名称: GLYCEROL, Hexokinase, PHOSPHATE ION
著者Kuettner, E.B, Kettner, K, Keim, A, Kriegel, T.M, Strater, N.
登録日2010-07-29
公開日2010-10-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Crystal Structure of Hexokinase KlHxk1 of Kluyveromyces lactis: A MOLECULAR BASIS FOR UNDERSTANDING THE CONTROL OF YEAST HEXOKINASE FUNCTIONS VIA COVALENT MODIFICATION AND OLIGOMERIZATION.
J.Biol.Chem., 285, 2010
6F0R
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BU of 6f0r by Molmil
GLIC mutant E82Q
分子名称: ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ...
著者Hu, H.D, Delarue, M.
登録日2017-11-20
公開日2018-01-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Full mutational mapping of titratable residues helps to identify proton-sensors involved in the control of channel gating in the Gloeobacter violaceus pentameric ligand-gated ion channel.
PLoS Biol., 15, 2017
6ETI
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BU of 6eti by Molmil
Structure of inhibitor-bound ABCG2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5D3(Fab) heavy chain variable domain, 5D3(Fab) light chain variable domain, ...
著者Jackson, S.M, Manolaridis, I, Kowal, J, Zechner, M, Altmann, K.H, Locher, K.P.
登録日2017-10-26
公開日2018-04-11
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural basis of small-molecule inhibition of human multidrug transporter ABCG2.
Nat. Struct. Mol. Biol., 25, 2018
6SHD
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BU of 6shd by Molmil
Structure of the GH76A alpha-1,6-mannanase from Salegentibacter sp. HEL1_6
分子名称: Alpha-1,6-mannanase
著者Hehemann, J.H, Solanki, V.
登録日2019-08-06
公開日2020-08-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Glycoside hydrolase from the GH76 family indicates that marine Salegentibacter sp. Hel_I_6 consumes alpha-mannan from fungi.
Isme J, 2022
3NOJ
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BU of 3noj by Molmil
The structure of HMG/CHA aldolase from the protocatechuate degradation pathway of Pseudomonas putida
分子名称: 4-carboxy-4-hydroxy-2-oxoadipate aldolase/oxaloacetate decarboxylase, MAGNESIUM ION, PYRUVIC ACID, ...
著者Kimber, M.S, Wang, W, Mazurkewich, S, Seah, S.Y.K.
登録日2010-06-25
公開日2010-09-15
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Structural and Kinetic Characterization of 4-Hydroxy-4-methyl-2-oxoglutarate/4-Carboxy-4-hydroxy-2-oxoadipate Aldolase, a Protocatechuate Degradation Enzyme Evolutionarily Convergent with the HpaI and DmpG Pyruvate Aldolases.
J.Biol.Chem., 285, 2010
6S90
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BU of 6s90 by Molmil
BTK in complex with an inhibitor
分子名称: 4-~{tert}-butyl-~{N}-[2-methyl-3-[6-[4-(4-methylpiperazin-1-yl)carbonylphenyl]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]benzamide, Tyrosine-protein kinase BTK
著者Gutmann, S, Hinniger, A.
登録日2019-07-11
公開日2019-09-18
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Design of Potent and Selective Covalent Inhibitors of Bruton's Tyrosine Kinase Targeting an Inactive Conformation.
Acs Med.Chem.Lett., 10, 2019
3O8X
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BU of 3o8x by Molmil
Recognition of Glycolipid Antigen by iNKT Cell TCR
分子名称: (2S,3R)-3-HYDROXY-2-(TETRADECANOYLAMINO)OCTADECYL ALPHA-D-GALACTOPYRANOSIDURONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zajonc, D.M, Li, Y.
登録日2010-08-03
公開日2010-09-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献The V alpha 14 invariant natural killer T cell TCR forces microbial glycolipids and CD1d into a conserved binding mode.
J.Exp.Med., 207, 2010
6F10
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BU of 6f10 by Molmil
GLIC mutant D88N
分子名称: ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ...
著者Hu, H.D, Delarue, M.
登録日2017-11-21
公開日2018-01-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Full mutational mapping of titratable residues helps to identify proton-sensors involved in the control of channel gating in the Gloeobacter violaceus pentameric ligand-gated ion channel.
PLoS Biol., 15, 2017
3O9W
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BU of 3o9w by Molmil
Recognition of a Glycolipid Antigen by the iNKT Cell TCR
分子名称: (2S)-3-(alpha-D-galactopyranosyloxy)-2-(hexadecanoyloxy)propyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zajonc, D.M, Li, Y.
登録日2010-08-04
公開日2010-09-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The V alpha 14 invariant natural killer T cell TCR forces microbial glycolipids and CD1d into a conserved binding mode.
J.Exp.Med., 207, 2010
1K4Z
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BU of 1k4z by Molmil
C-terminal Domain of Cyclase Associated Protein
分子名称: Adenylyl Cyclase-Associated Protein
著者Rozwarski, D.A, Fedorov, A.A, Dodatko, T, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2001-10-09
公開日2002-03-13
最終更新日2021-02-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of the actin binding domain of the cyclase-associated protein
Biochemistry, 43, 2004
6EXI
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BU of 6exi by Molmil
NAD-free crystal structure of S-adenosyl-L-homocysteine hydrolase from Bradyrhizobium elkanii complexed with adenosine
分子名称: ADENOSINE, Adenosylhomocysteinase, DI(HYDROXYETHYL)ETHER, ...
著者Manszewski, T, Jaskolski, M.
登録日2017-11-08
公開日2018-09-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.918 Å)
主引用文献S-Adenosyl-L-Homocysteine Hydrolase Inhibition by a Synthetic Nicotinamide Cofactor Biomimetic.
Front Microbiol, 9, 2018
6EY5
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BU of 6ey5 by Molmil
C-terminal part (residues 224-515) of PorM
分子名称: T9SS component cytoplasmic membrane protein PorM, ZINC ION
著者Leone, P, Cambillau, C, Roussel, A.
登録日2017-11-10
公開日2018-02-07
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Type IX secretion system PorM and gliding machinery GldM form arches spanning the periplasmic space.
Nat Commun, 9, 2018
6EZI
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BU of 6ezi by Molmil
PDZK1 domain 4 in complex with C-terminal peptide of human PepT2.
分子名称: GLYCEROL, Na(+)/H(+) exchange regulatory cofactor NHE-RF3, Solute carrier family 15 member 2
著者Loew, C, Flayhan, A, Pieprzyk, J.
登録日2017-11-15
公開日2018-09-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.503321 Å)
主引用文献Probing the Architecture of a Multi-PDZ Domain Protein: Structure of PDZK1 in Solution.
Structure, 26, 2018

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