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1IEE
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BU of 1iee by Molmil
STRUCTURE OF TETRAGONAL HEN EGG WHITE LYSOZYME AT 0.94 A FROM CRYSTALS GROWN BY THE COUNTER-DIFFUSION METHOD
Descriptor: CHLORIDE ION, LYSOZYME C, SODIUM ION
Authors:Sauter, C, Otalora, F, Gavira, J.-A, Vidal, O, Giege, R, Garcia-Ruiz, J.-M.
Deposit date:2001-04-09
Release date:2001-08-08
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (0.94 Å)
Cite:Structure of tetragonal hen egg-white lysozyme at 0.94 A from crystals grown by the counter-diffusion method.
Acta Crystallogr.,Sect.D, 57, 2001
4MLM
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BU of 4mlm by Molmil
Crystal Structure of PhnZ from uncultured bacterium HF130_AEPn_1
Descriptor: FE (III) ION, GLYCEROL, L(+)-TARTARIC ACID, ...
Authors:van Staalduinen, L.M, McSorley, F.R, Zechel, D.L, Jia, Z, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
Deposit date:2013-09-06
Release date:2014-04-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of PhnZ in complex with substrate reveals a di-iron oxygenase mechanism for catabolism of organophosphonates.
Proc.Natl.Acad.Sci.USA, 111, 2014
1IP1
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BU of 1ip1 by Molmil
G37A HUMAN LYSOZYME
Descriptor: LYSOZYME C, SODIUM ION
Authors:Takano, K, Yamagata, Y, Yutani, K.
Deposit date:2001-04-20
Release date:2001-11-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Role of amino acid residues in left-handed helical conformation for the conformational stability of a protein.
Proteins, 45, 2001
4MMF
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BU of 4mmf by Molmil
Crystal structure of LeuBAT (delta5 mutant) in complex with mazindol
Descriptor: (5R)-5-(4-chlorophenyl)-2,5-dihydro-3H-imidazo[2,1-a]isoindol-5-ol, SODIUM ION, Transporter, ...
Authors:Wang, H, Gouaux, E.
Deposit date:2013-09-08
Release date:2013-10-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis for action by diverse antidepressants on biogenic amine transporters.
Nature, 503, 2013
4MS2
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BU of 4ms2 by Molmil
Structural basis of Ca2+ selectivity of a voltage-gated calcium channel
Descriptor: 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, Ion transport protein
Authors:Tang, L, Gamal El-Din, T.M, Payandeh, J, Martinez, G.Q, Heard, T.M, Scheuer, T, Zheng, N, Catterall, W.A.
Deposit date:2013-09-18
Release date:2013-11-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural basis for Ca2+ selectivity of a voltage-gated calcium channel.
Nature, 505, 2014
4MTF
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BU of 4mtf by Molmil
Structural Basis of Ca2+ Selectivity of a Voltage-gated Calcium Channel
Descriptor: 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, Ion transport protein
Authors:Tang, L, Gamal El-Din, T.M, Payandeh, J, Martinez, G.Q, Heard, T.M, Scheuer, T, Zheng, N, Catterall, W.A.
Deposit date:2013-09-19
Release date:2013-11-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis for Ca2+ selectivity of a voltage-gated calcium channel.
Nature, 505, 2014
1IP2
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BU of 1ip2 by Molmil
G48A HUMAN LYSOZYME
Descriptor: LYSOZYME C, SODIUM ION
Authors:Takano, K, Yamagata, Y, Yutani, K.
Deposit date:2001-04-20
Release date:2001-11-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Role of amino acid residues in left-handed helical conformation for the conformational stability of a protein.
Proteins, 45, 2001
1IX0
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BU of 1ix0 by Molmil
I59A-3SS human lysozyme
Descriptor: SODIUM ION, lysozyme
Authors:Takano, K, Yamagata, Y, Yutani, K.
Deposit date:2002-06-06
Release date:2003-07-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Buried water molecules contribute to the conformational stability of a protein
PROTEIN ENG., 16, 2003
4IIS
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BU of 4iis by Molmil
Crystal structure of a glycosylated beta-1,3-glucanase (HEV B 2), An allergen from Hevea Brasiliensis (Space group P41)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-1,3-glucanase form 'RRII Gln 2', CACODYLATE ION, ...
Authors:Rodriguez-Romero, A, Hernandez-Santoyo, A.
Deposit date:2012-12-20
Release date:2013-11-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6676 Å)
Cite:Structural analysis of the endogenous glycoallergen Hev b 2 (endo-beta-1,3-glucanase) from Hevea brasiliensis and its recognition by human basophils.
Acta Crystallogr.,Sect.D, 70, 2014
1K7E
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BU of 1k7e by Molmil
CRYSTAL STRUCTURE OF WILD-TYPE TRYPTOPHAN SYNTHASE COMPLEXED WITH N-[1H-INDOL-3-YL-ACETYL]GLYCINE ACID
Descriptor: N-[1H-INDOL-3-YL-ACETYL]GLYCINE ACID, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, ...
Authors:Weyand, M, Schlichting, I, Marabotti, A, Mozzarelli, A.
Deposit date:2001-10-19
Release date:2002-07-10
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures of a new class of allosteric effectors complexed to tryptophan synthase.
J.Biol.Chem., 277, 2002
4LOY
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BU of 4loy by Molmil
Crystal Structure Analysis of thrombin in complex with compound D57, 5-Chlorothiophene-2-carboxylic acid [(S)-2-[2-methyl-3-(2- oxopyrrolidin-1-yl)benzenesulfonylamino]-3-(4-methylpiperazin-1- yl)-3-oxopropyl]amide (SAR107375)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-Chloro-thiophene-2-carboxylic acid [(S)-2-[2-chloro-5-fluoro-3-(2-oxo-piperidin-1-yl)-benzenesulfonylamino]-3-(4-methyl-piperazin-1-yl)-3-oxo-propyl]-amide, Hirudin variant-2, ...
Authors:Stehlin-Gaon, C, Bocskei, Z.
Deposit date:2013-07-14
Release date:2014-06-04
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:5-Chlorothiophene-2-carboxylic acid [(S)-2-[2-methyl-3-(2-oxopyrrolidin-1-yl)benzenesulfonylamino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]amide (SAR107375), a selective and potent orally active dual thrombin and factor Xa inhibitor.
J.Med.Chem., 56, 2013
1KA0
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BU of 1ka0 by Molmil
The PAPase Hal2p complexed with a sodium ion and the reaction product AMP
Descriptor: ADENOSINE MONOPHOSPHATE, Halotolerance protein HAL2, SODIUM ION
Authors:Patel, S, Albert, A, Blundell, T.L.
Deposit date:2001-10-31
Release date:2001-11-07
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Hal2p: Ion selectivity and implications on inhibition mechanism
To be Published
4LFH
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BU of 4lfh by Molmil
Crystal Structure of 9C2 TCR
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 9C2 TCR delta chain, 9C2 TCR gamma chain, ...
Authors:Uldrich, A.P, Le Nours, J, Pellicci, D.G, Gras, S, Rossjohn, J, Godfrey, D.I.
Deposit date:2013-06-26
Release date:2013-10-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:CD1d-lipid antigen recognition by the gamma delta TCR.
Nat.Immunol., 14, 2013
1K8Y
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BU of 1k8y by Molmil
CRYSTAL STRUCTURE OF THE TRYPTOPHAN SYNTHASE BETA-SER178PRO MUTANT COMPLEXED WITH D,L-ALPHA-GLYCEROL-3-PHOSPHATE
Descriptor: 1,3-DIHYDROXYACETONEPHOSPHATE, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, ...
Authors:Weyand, M, Schlichting, I, Marabotti, A, Mozzarelli, A.
Deposit date:2001-10-26
Release date:2002-06-19
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of the beta Ser178--> Pro mutant of tryptophan synthase. A "knock-out" allosteric enzyme.
J.Biol.Chem., 277, 2002
4KZV
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BU of 4kzv by Molmil
Structure of the carbohydrate-recognition domain of the C-type lectin mincle bound to trehalose
Descriptor: C-type lectin mincle, CALCIUM ION, SODIUM ION, ...
Authors:Feinberg, H, Jegouzo, S.A.F, Rowntree, T.J.W, Guan, Y, Brash, M.A, Taylor, M.E, Weis, W.I, Drickamer, K.
Deposit date:2013-05-30
Release date:2013-08-28
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Mechanism for Recognition of an Unusual Mycobacterial Glycolipid by the Macrophage Receptor Mincle.
J.Biol.Chem., 288, 2013
4IXC
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BU of 4ixc by Molmil
Crystal structure of Human Glucokinase in complex with a small molecule activator.
Descriptor: (2S)-2-{[1-(3-chloropyridin-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}-N-(5-methylpyridin-2-yl)-3-(propan-2-yloxy)propanamide, Glucokinase isoform 3, SODIUM ION, ...
Authors:Ogg, D.J, Hargreaves, D, Gerhardt, S.
Deposit date:2013-01-25
Release date:2013-04-24
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Matched triplicate design sets in the optimisation of glucokinase activators maximising medicinal chemistry information content
To be Published
2IIT
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BU of 2iit by Molmil
Human dipeptidyl peptidase 4 in complex with a diazepan-2-one inhibitor
Descriptor: (3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-3-(2,2,2-TRIFLUOROETHYL)-1,4-DIAZEPAN-2-ONE, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Scapin, G, Biftu, T, Weber, A.E.
Deposit date:2006-09-28
Release date:2006-11-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:(3R)-4-[(3R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(2,2,2-trifluoroethyl)-1,4-diazepan-2-one, a selective dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes
Bioorg.Med.Chem.Lett., 17, 2007
4ITH
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BU of 4ith by Molmil
Crystal structure of RIP1 kinase in complex with necrostatin-1 analog
Descriptor: (5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione, IODIDE ION, Receptor-interacting serine/threonine-protein kinase 1, ...
Authors:Xie, T, Peng, W, Liu, Y, Yan, C, Shi, Y.
Deposit date:2013-01-18
Release date:2013-03-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural Basis of RIP1 Inhibition by Necrostatins.
Structure, 21, 2013
2ID4
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BU of 2id4 by Molmil
The 1.9 A structure of Kex2 in complex with an Ac-R-E-R-K-chloromethyl ketone inhibitor.
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, Ac-RERK-CMK inhibitor, ...
Authors:Wheatley, J.L, Holyoak, T.
Deposit date:2006-09-14
Release date:2007-05-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Differential P1 arginine and lysine recognition in the prototypical proprotein convertase Kex2.
Proc.Natl.Acad.Sci.Usa, 104, 2007
4IRL
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BU of 4irl by Molmil
X-ray structure of the CARD domain of zebrafish GBP-NLRP1 like protein
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Jin, T, Huang, M, Smith, P, Xiao, T.
Deposit date:2013-01-15
Release date:2013-08-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Structure of the caspase-recruitment domain from a zebrafish guanylate-binding protein.
Acta Crystallogr.,Sect.F, 69, 2013
1KFJ
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BU of 1kfj by Molmil
CRYSTAL STRUCTURE OF WILD-TYPE TRYPTOPHAN SYNTHASE COMPLEXED WITH L-SERINE
Descriptor: SODIUM ION, TRYPTOPHAN SYNTHASE ALPHA CHAIN, TRYPTOPHAN SYNTHASE BETA CHAIN, ...
Authors:Kulik, V, Weyand, M, Seidel, R, Niks, D, Arac, D, Dunn, M.F, Schlichting, I.
Deposit date:2001-11-21
Release date:2003-10-21
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:On the role of alphaThr183 in the allosteric regulation and catalytic mechanism of tryptophan synthase.
J.Mol.Biol., 324, 2002
1KNP
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BU of 1knp by Molmil
E. coli L-aspartate oxidase: mutant R386L in complex with succinate
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, L-aspartate oxidase, SODIUM ION, ...
Authors:Bossi, R.T, Mattevi, A.
Deposit date:2001-12-19
Release date:2002-04-17
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of FAD-bound L-aspartate oxidase: insight into substrate specificity and catalysis.
Biochemistry, 41, 2002
4IP7
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BU of 4ip7 by Molmil
Structure of the S12D variant of human liver pyruvate kinase in complex with citrate and FBP.
Descriptor: 1,2-ETHANEDIOL, 1,6-di-O-phosphono-beta-D-fructofuranose, ADENOSINE, ...
Authors:Holyoak, T, Fenton, A.W.
Deposit date:2013-01-09
Release date:2013-01-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Energetic Coupling between an Oxidizable Cysteine and the Phosphorylatable N-Terminus of Human Liver Pyruvate Kinase.
Biochemistry, 52, 2013
4LSP
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BU of 4lsp by Molmil
Crystal structure of broadly and potently neutralizing antibody VRC-CH31 in complex with HIV-1 clade A/E gp120 93TH057
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ...
Authors:Zhou, T, Moquin, S, Kwong, P.D.
Deposit date:2013-07-23
Release date:2013-09-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Multidonor Analysis Reveals Structural Elements, Genetic Determinants, and Maturation Pathway for HIV-1 Neutralization by VRC01-Class Antibodies.
Immunity, 39, 2013
4LOV
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BU of 4lov by Molmil
Crystal structure of FimH in complex with Heptylmannoside
Descriptor: GLYCEROL, Protein FimH, SODIUM ION, ...
Authors:Garcia-Pino, A, Vanwetswinkel, S, van Nuland, N.
Deposit date:2013-07-13
Release date:2014-02-12
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Study of the Structural and Dynamic Effects in the FimH Adhesin upon alpha-d-Heptyl Mannose Binding.
J.Med.Chem., 57, 2014

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數據於2024-07-17公開中

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