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4XO5
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BU of 4xo5 by Molmil
Crystal Structure of E. coli Aminopeptidase N in complex with L-Glutamate
Descriptor: Aminopeptidase N, GLUTAMIC ACID, GLYCEROL, ...
Authors:Addlagatta, A, Gumpena, R.
Deposit date:2015-01-16
Release date:2016-01-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Crystal Structure of E. coli Aminopeptidase N in complex with L-Glutamate
To Be Published
4XP9
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BU of 4xp9 by Molmil
X-ray structure of Drosophila dopamine transporter bound to psychostimulant D-amphetamine
Descriptor: (2S)-1-phenylpropan-2-amine, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Aravind, P, Wang, K, Gouaux, E.
Deposit date:2015-01-16
Release date:2015-05-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Neurotransmitter and psychostimulant recognition by the dopamine transporter.
Nature, 521, 2015
4XS0
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BU of 4xs0 by Molmil
Human methemoglobin in complex with the second and third NEAT domains of IsdH(F365Y/A369F/Y642A) from Staphylococcus aureus
Descriptor: CHLORIDE ION, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Dickson, C.F, Jacques, D.A, Guss, J.M, Gell, D.A.
Deposit date:2015-01-21
Release date:2015-06-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:The structure of haemoglobin bound to the haemoglobin receptor IsdH from Staphylococcus aureus shows disruption of the native alpha-globin haem pocket.
Acta Crystallogr.,Sect.D, 71, 2015
4XRG
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BU of 4xrg by Molmil
Crystal Structure of the Homospermidine Synthase (HSS) variant H296S from Blastochloris viridis in Complex with NAD, Putrescine and Agmatine
Descriptor: 1,4-DIAMINOBUTANE, 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, ACETATE ION, ...
Authors:Krossa, S.
Deposit date:2015-01-21
Release date:2016-01-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Comprehensive Structural Characterization of the Bacterial Homospermidine Synthase-an Essential Enzyme of the Polyamine Metabolism.
Sci Rep, 6, 2016
4XVD
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BU of 4xvd by Molmil
17beta-HSD5 in complex with 4-nitro-2-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)phenol
Descriptor: 4-nitro-2-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)phenol, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Amano, Y, Yamaguchi, T, Niimi, T, Sakashita, H.
Deposit date:2015-01-27
Release date:2015-04-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Structures of complexes of type 5 17 beta-hydroxysteroid dehydrogenase with structurally diverse inhibitors: insights into the conformational changes upon inhibitor binding.
Acta Crystallogr.,Sect.D, 71, 2015
4XVE
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BU of 4xve by Molmil
17beta-HSD5 in complex with 3-pentyl-2-[(pyridin-2-ylmethyl)sulfanyl]-7-(pyrrolidin-1-ylcarbonyl)quinazolin-4(3H)-one
Descriptor: 3-pentyl-2-[(pyridin-2-ylmethyl)sulfanyl]-7-(pyrrolidin-1-ylcarbonyl)quinazolin-4(3H)-one, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Amano, Y, Yamaguchi, T.
Deposit date:2015-01-27
Release date:2015-04-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structures of complexes of type 5 17 beta-hydroxysteroid dehydrogenase with structurally diverse inhibitors: insights into the conformational changes upon inhibitor binding.
Acta Crystallogr.,Sect.D, 71, 2015
4XZW
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BU of 4xzw by Molmil
Endo-glucanase chimera C10
Descriptor: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Lee, C.C, Chang, C.J, Ho, T.H.D, Chao, Y.C, Wang, A.H.J.
Deposit date:2015-02-05
Release date:2016-02-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Endo-glucanase chimera C10
To Be Published
4XZB
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BU of 4xzb by Molmil
endo-glucanase GsCelA P1
Descriptor: CelA
Authors:Lee, C.C, Chang, C.J, Ho, T.H.D, Chao, Y.C, Wang, A.H.J.
Deposit date:2015-02-04
Release date:2016-02-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Structure of endo-glucanase GsCelA P1 at 1.62 Angstroms
To Be Published
4Y22
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BU of 4y22 by Molmil
Complex of human Galectin-1 and (3OSO3)Galbeta1-3GlcNAc
Descriptor: 3-O-sulfo-beta-D-galactopyranose-(1-3)-methyl 2-acetamido-2-deoxy-beta-D-glucopyranoside, Galectin-1
Authors:Lin, H.Y, Hsieh, T.J, Lin, C.H.
Deposit date:2015-02-09
Release date:2016-04-06
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis of human galectin-1 inhibition with Ki values in the micro- to nanomolar range
To Be Published
4XPA
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BU of 4xpa by Molmil
X-ray structure of Drosophila dopamine transporter bound to 3,4dichlorophenethylamine
Descriptor: 2-(3,4-dichlorophenyl)ethanamine, Antibody fragment heavy chain-protein, 9D5-heavy chain, ...
Authors:Aravind, P, Wang, K, Gouaux, E.
Deposit date:2015-01-16
Release date:2015-05-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Neurotransmitter and psychostimulant recognition by the dopamine transporter.
Nature, 521, 2015
4Y1Z
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BU of 4y1z by Molmil
Complex of human Galectin-1 and Galbeta1-4(6CO2)GlcNAc
Descriptor: Galectin-1, beta-D-galactopyranose-(1-4)-methyl 2-acetamido-2-deoxy-beta-D-glucopyranosiduronic acid
Authors:Lin, H.Y, Hsieh, T.J, Lin, C.H.
Deposit date:2015-02-09
Release date:2016-04-06
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Structural basis of human galectin-1 inhibition with Ki values in the micro- to nanomolar range
To Be Published
4XNV
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BU of 4xnv by Molmil
The human P2Y1 receptor in complex with BPTU
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-[2-(2-tert-butylphenoxy)pyridin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea, CHOLESTEROL, ...
Authors:Zhang, D, Gao, Z, Jacobson, K, Han, G.W, Stevens, R, Zhao, Q, Wu, B, GPCR Network (GPCR)
Deposit date:2015-01-16
Release date:2015-04-01
Last modified:2020-02-05
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Two disparate ligand-binding sites in the human P2Y1 receptor
Nature, 520, 2015
4XO6
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BU of 4xo6 by Molmil
Crystal structure of human 3-alpha hydroxysteroid dehydrogenase type 3 in complex with NADP+, 5alpha-androstan-3,17-dione and (3beta, 5alpha)-3-hydroxyandrostan-17-one
Descriptor: (3Beta,5alpha)-3-Hydroxyandrostan-17-one, 1,2-ETHANEDIOL, 5ALPHA-ANDROSTAN-3,17-DIONE, ...
Authors:Zhang, B, Hu, X.-J, Lin, S.-X.
Deposit date:2015-01-16
Release date:2016-02-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Human 3 alpha-hydroxysteroid dehydrogenase type 3: structural clues of 5 alpha-DHT reverse binding and enzyme down-regulation decreasing MCF7 cell growth.
Biochem.J., 473, 2016
4XVA
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BU of 4xva by Molmil
Crystal structure of wild type cytochrome c peroxidase
Descriptor: BENZIMIDAZOLE, Cytochrome c peroxidase, mitochondrial, ...
Authors:Fischer, M, Fraser, J.S.
Deposit date:2015-01-26
Release date:2015-02-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:One Crystal, Two Temperatures: Cryocooling Penalties Alter Ligand Binding to Transient Protein Sites.
Chembiochem, 16, 2015
4XQ4
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BU of 4xq4 by Molmil
X-ray structure analysis of xylanase - N44D
Descriptor: Endo-1,4-beta-xylanase 2, IODIDE ION
Authors:Wan, Q, Park, J.M, Riccardi, D.M, Hanson, L.B, Fisher, Z, Smith, J.C, Ostermann, A, Schrader, T, Graham, D.E, Coates, L, Langan, P, Kovalevsky, A.Y.
Deposit date:2015-01-19
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography.
Proc.Natl.Acad.Sci.USA, 112, 2015
4XWK
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BU of 4xwk by Molmil
P-glycoprotein co-crystallized with BDE-100
Descriptor: 2,4-dibromophenyl 2,4,6-tribromophenyl ether, Multidrug resistance protein 1A
Authors:McGrath, A.P, Rees, S.D, Chang, G.
Deposit date:2015-01-28
Release date:2016-04-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Global marine pollutants inhibit P-glycoprotein: Environmental levels, inhibitory effects, and cocrystal structure.
Sci Adv, 2, 2016
4XXB
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BU of 4xxb by Molmil
Crystal structure of human MDM2-RPL11
Descriptor: 60S ribosomal protein L11, BETA-MERCAPTOETHANOL, E3 ubiquitin-protein ligase Mdm2, ...
Authors:Zheng, J, Chen, Z.
Deposit date:2015-01-30
Release date:2015-08-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of human MDM2 complexed with RPL11 reveals the molecular basis of p53 activation
Genes Dev., 29, 2015
4XXJ
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BU of 4xxj by Molmil
Crystal Structure of Escherichia coli-Expressed Halobacterium salinarum Bacteriorhodopsin in the Trimeric Form
Descriptor: Bacteriorhodopsin, EICOSANE, [(Z)-octadec-9-enyl] (2R)-2,3-bis(oxidanyl)propanoate
Authors:Bratanov, D, Balandin, T, Round, E, Gushchin, I, Gordeliy, V.
Deposit date:2015-01-30
Release date:2015-07-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:An Approach to Heterologous Expression of Membrane Proteins. The Case of Bacteriorhodopsin.
Plos One, 10, 2015
4Y1Y
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BU of 4y1y by Molmil
Complex of human Galectin-1 and (6OSO3)Galbeta1-3GlcNAc
Descriptor: Galectin-1, beta-D-galactopyranose-(1-3)-methyl 2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucopyranoside
Authors:Lin, H.Y, Hsieh, T.J, Lin, C.H.
Deposit date:2015-02-09
Release date:2016-04-06
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structural basis of human galectin-1 inhibition with Ki values in the micro- to nanomolar range
To Be Published
4Y28
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BU of 4y28 by Molmil
The structure of plant photosystem I super-complex at 2.8 angstrom resolution.
Descriptor: (1R,2S)-4-{(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-2,5,5-trimethylcyclohex-3-en-1-ol, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
Authors:Mazor, Y, Brovikov, A, Nelson, N.
Deposit date:2015-02-09
Release date:2015-08-19
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The structure of plant photosystem I super-complex at 2.8 angstrom resolution.
Elife, 4, 2015
4XQG
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BU of 4xqg by Molmil
Crystal Structure of the Homospermidine Synthase (HSS) variant E237Q from Blastochloris viridis in Complex with NAD.
Descriptor: 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, ACETATE ION, AGMATINE, ...
Authors:Krossa, S.
Deposit date:2015-01-19
Release date:2016-01-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.417 Å)
Cite:Comprehensive Structural Characterization of the Bacterial Homospermidine Synthase-an Essential Enzyme of the Polyamine Metabolism.
Sci Rep, 6, 2016
4XXK
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BU of 4xxk by Molmil
Crystal structure of the Semet-derivative of the Bilin-binding domain of phycobilisome core-membrane linker ApcE
Descriptor: PHYCOCYANOBILIN, Phycobiliprotein ApcE
Authors:Tang, K, Ding, W.-L, Hoppner, A, Gartner, W, Zhao, K.-H.
Deposit date:2015-01-30
Release date:2015-12-16
Last modified:2016-01-13
Method:X-RAY DIFFRACTION (2.97 Å)
Cite:The terminal phycobilisome emitter, LCM: A light-harvesting pigment with a phytochrome chromophore.
Proc.Natl.Acad.Sci.USA, 112, 2015
4XYD
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BU of 4xyd by Molmil
Nitric oxide reductase from Roseobacter denitrificans (RdNOR)
Descriptor: CALCIUM ION, COPPER (II) ION, FE (III) ION, ...
Authors:Crow, A.
Deposit date:2015-02-02
Release date:2016-05-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structure of the Membrane-intrinsic Nitric Oxide Reductase from Roseobacter denitrificans.
Biochemistry, 55, 2016
4XVC
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BU of 4xvc by Molmil
Crystal structure of an esterase from the bacterial hormone-sensitive lipase (HSL) family
Descriptor: Esterase E40, phenylmethanesulfonic acid
Authors:Zhang, Y, Li, P.
Deposit date:2015-01-27
Release date:2015-03-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Interdomain Hydrophobic Interactions Modulate the Thermostability of Microbial Esterases from the Hormone-Sensitive Lipase Family.
J.Biol.Chem., 290, 2015
4Y8C
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BU of 4y8c by Molmil
Crystal structure of phosphodiesterase 9 in complex with (S)-C33
Descriptor: 6-{[(1S)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ...
Authors:Huang, M.
Deposit date:2015-02-16
Release date:2015-09-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural Asymmetry of Phosphodiesterase-9A and a Unique Pocket for Selective Binding of a Potent Enantiomeric Inhibitor.
Mol.Pharmacol., 88, 2015

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数据于2024-09-04公开中

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