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4FLG
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BU of 4flg by Molmil
HIV-1 protease mutant I47V complexed with reaction intermediate
Descriptor: CHLORIDE ION, GLUTAMIC ACID, GLYCEROL, ...
Authors:Yu, X, Shen, C.H, Weber, I.T.
Deposit date:2012-06-14
Release date:2012-10-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Capturing the Reaction Pathway in Near-Atomic-Resolution Crystal Structures of HIV-1 Protease.
Biochemistry, 51, 2012
4FF7
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BU of 4ff7 by Molmil
Structure of C126S mutant of Saccharomyces cerevisiae triosephosphate isomerase
Descriptor: 2-PHOSPHOGLYCOLIC ACID, GLYCEROL, PHOSPHATE ION, ...
Authors:Rodriguez-Romero, A, Hernandez-Santoyo, A.
Deposit date:2012-05-31
Release date:2012-08-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Effects of a buried cysteine-to-serine mutation on yeast triosephosphate isomerase structure and stability.
Int J Mol Sci, 13, 2012
4FKA
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BU of 4fka by Molmil
High resolution structure of the manganese derivative of insulin
Descriptor: Insulin A chain, Insulin B chain, MANGANESE (II) ION, ...
Authors:Prugovecki, B, Pulic, I, Toth, M, Matkovic-Calogovic, D.
Deposit date:2012-06-13
Release date:2013-02-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:High Resolution Structure of the Manganese Derivative of Insulin
Croat.Chem.Acta, 85, 2012
4FKP
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BU of 4fkp by Molmil
Crystal structure of the cdk2 in complex with oxindole inhibitor
Descriptor: 3-{[4-([AMINO(IMINO)METHYL]AMINOSULFONYL)ANILINO]METHYLENE}-2-OXO-2,3-DIHYDRO-1H-INDOLE, Cyclin-dependent kinase 2, SODIUM ION
Authors:Kang, Y.N, Stuckey, J.A.
Deposit date:2012-06-13
Release date:2013-05-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of the cdk2 in complex with oxindole inhibitor
To be Published
4FLK
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BU of 4flk by Molmil
Human MetAP1 with bengamide analog Y10, in Mn form
Descriptor: (E,2R,3R,4S,5R)-N-(2,3-dihydro-1H-inden-2-yl)-2-methoxy-8,8-dimethyl-3,4,5-tris(oxidanyl)non-6-enamide, MANGANESE (II) ION, Methionine aminopeptidase 1, ...
Authors:Ye, Q.Z, Xu, W.
Deposit date:2012-06-14
Release date:2012-09-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Structural analysis of bengamide derivatives as inhibitors of methionine aminopeptidases.
J.Med.Chem., 55, 2012
4FE9
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BU of 4fe9 by Molmil
Crystal Structure of SusF from Bacteroides thetaiotaomicron
Descriptor: 1,2-ETHANEDIOL, Cyclic alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-3)-alpha-D-glucopyranose, GLYCEROL, ...
Authors:Koropatkin, N.M, Cameron, E.A, Martens, E.C.
Deposit date:2012-05-29
Release date:2012-08-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Multidomain Carbohydrate-binding Proteins Involved in Bacteroides thetaiotaomicron Starch Metabolism.
J.Biol.Chem., 287, 2012
4XN8
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BU of 4xn8 by Molmil
Crystal Structure of E. coli Aminopeptidase N in complex with L-Alanine
Descriptor: ALANINE, Aminopeptidase N, MALONATE ION, ...
Authors:Addlagatta, A, Gumpena, R.
Deposit date:2015-01-15
Release date:2016-03-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Crystal Structure of E. coli Aminopeptidase N in complex with L-Alanine
To Be Published
4NW7
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BU of 4nw7 by Molmil
PDE4 catalytic domain
Descriptor: (4-{[4-(3-chlorophenyl)-6-cyclopropyl-1,3,5-triazin-2-yl]amino}phenyl)acetic acid, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
Authors:Fox III, D, Edwards, T.E.
Deposit date:2013-12-05
Release date:2014-10-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Discovery of triazines as selective PDE4B versus PDE4D inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
6L55
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BU of 6l55 by Molmil
Recombinant Tegillarca granosa ferritin
Descriptor: FE (III) ION, FORMIC ACID, Ferritin, ...
Authors:Jiang, Q.Q, Su, X.R, Ming, T.H, Huan, H.S.
Deposit date:2019-10-22
Release date:2019-11-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.78304863 Å)
Cite:Structural Insights Into the Effects of Interactions With Iron and Copper Ions on Ferritin From the Blood Clam Tegillarca granosa.
Front Mol Biosci, 9, 2022
5D18
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BU of 5d18 by Molmil
Crystal structure of Mycobacterium tuberculosis Rv0302, form I
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ISOPROPYL ALCOHOL, SODIUM ION, ...
Authors:Chou, T.-H, Delmar, J, Su, C.-C, Yu, E.
Deposit date:2015-08-04
Release date:2015-10-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Crystal structure of the Mycobacterium tuberculosis transcriptional regulator Rv0302.
Protein Sci., 2015
4O34
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BU of 4o34 by Molmil
Room temperature macromolecular serial crystallography using synchrotron radiation
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Stellato, F, Oberthuer, D, Liang, M, Bean, R, Gati, C, Yefanov, O, Barty, A, Burkhardt, A, Fischer, P, Galli, L, Kirian, R.A, Mayer, J, Pannerselvam, S, Yoon, C.H, Chervinskii, F, Speller, E, White, T.A, Betzel, C, Meents, A, Chapman, H.N.
Deposit date:2013-12-18
Release date:2014-06-11
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Room-temperature macromolecular serial crystallography using synchrotron radiation.
IUCrJ, 1, 2014
5D3T
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BU of 5d3t by Molmil
First bromodomain of BRD4 bound to inhibitor XD47
Descriptor: 1,2-ETHANEDIOL, 4-acetyl-N-(3-carbamoylbenzyl)-3-ethyl-N,5-dimethyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4, ...
Authors:Wohlwend, D, Huegle, M.
Deposit date:2015-08-06
Release date:2016-01-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1).
J.Med.Chem., 59, 2016
4O57
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BU of 4o57 by Molmil
Crystal Structure of Trichomonas vaginalis Triosephosphate Isomerase Ile45-Tyr mutant (Tvag_497370)
Descriptor: SODIUM ION, Triosephosphate isomerase
Authors:Lara-Gonzalez, S, Estrella-Hernandez, P, Montero-Moran, G.M, Benitez-Cardoza, C.G, Brieba, L.G.
Deposit date:2013-12-19
Release date:2014-12-24
Method:X-RAY DIFFRACTION (1.793 Å)
Cite:Engineering mutants with altered dimer-monomer equilibrium reveal the existence of stable monomeric Triosephosphate isomerases
To be Published
5DGW
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BU of 5dgw by Molmil
Crystal Structure of HIV-1 Protease Inhibitor GRL-105-11A Containing Substituted fused-Tetrahydropyranyl Tetrahydrofuran as P2-Ligand
Descriptor: (3R,3aS,4S,7aS)-3-(ethylamino)hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, Pol protein, ...
Authors:Agniswamy, J, Wang, Y.-F, Weber, I.T.
Deposit date:2015-08-28
Release date:2015-10-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Design, synthesis, biological evaluation and X-ray structural studies of HIV-1 protease inhibitors containing substituted fused-tetrahydropyranyl tetrahydrofuran as P2-ligands.
Org.Biomol.Chem., 13, 2015
4OLF
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BU of 4olf by Molmil
Crystal Structure of Prolyl-tRNA synthetase (ProRS, Proline--tRNA ligase)from Plasmodium falciparum in complex with Halofuginone and AMPPNP
Descriptor: 1,2-ETHANEDIOL, 7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2014-01-23
Release date:2015-04-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structure of Prolyl-tRNA synthetase (ProRS, Proline--tRNA ligase)from Plasmodium falciparum in complex with Halofuginone and AMPPNP
To be Published
4OIC
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BU of 4oic by Molmil
Crystal structrual of a soluble protein
Descriptor: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, Bet v I allergen-like, CHLORIDE ION, ...
Authors:He, Y, Hao, Q, Li, W, Yan, C, Yan, N, Yin, P.
Deposit date:2014-01-19
Release date:2015-01-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.999 Å)
Cite:Identification and characterization of ABA receptors in Oryza sativa
Plos One, 9, 2014
5D46
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BU of 5d46 by Molmil
Structural Basis for a New Templated Activity by Terminal Deoxynucleotidyl Transferase: Implications for V(D)J Recombination
Descriptor: ACETATE ION, DNA (5'-D(*AP*AP*AP*AP*AP*A)-3'), DNA (5'-D(*TP*TP*TP*TP*TP*GP*C)-3'), ...
Authors:Loc'h, J, Rosario, S, Delarue, M.
Deposit date:2015-08-07
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Basis for a New Templated Activity by Terminal Deoxynucleotidyl Transferase: Implications for V(D)J Recombination.
Structure, 24, 2016
5D7Z
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BU of 5d7z by Molmil
Crystal structure of glyoxalase I from Zea mays
Descriptor: FORMIC ACID, Lactoylglutathione lyase, NICKEL (II) ION, ...
Authors:Gonzalez, J.M.
Deposit date:2015-08-14
Release date:2015-09-09
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Structure of the novel monomeric glyoxalase I from Zea mays.
Acta Crystallogr.,Sect.D, 71, 2015
5DDM
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BU of 5ddm by Molmil
Human DNA polymerase lambda- Apoenzyme and complex with 6 paired DNA
Descriptor: DNA (5'-D(*CP*AP*GP*TP*AP*C)-3'), DNA (5'-D(P*GP*TP*AP*CP*TP*G)-3'), DNA polymerase lambda, ...
Authors:Liu, M.S, Tsai, M.D.
Deposit date:2015-08-25
Release date:2016-02-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.802 Å)
Cite:Structural Mechanism for the Fidelity Modulation of DNA Polymerase lambda
J.Am.Chem.Soc., 138, 2016
5D8G
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BU of 5d8g by Molmil
A structural view on the dissociation of E. coli Tryptophanase
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
Authors:Almog, O.
Deposit date:2015-08-17
Release date:2015-12-09
Last modified:2016-07-20
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:A structural view of the dissociation of Escherichia coli tryptophanase.
Acta Crystallogr.,Sect.D, 71, 2015
5CWY
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BU of 5cwy by Molmil
Structure of Xoo1075, a peptide deformylase from Xanthomonas oryze pv oryzae, in complex with fragment 83
Descriptor: 4H-THIENO[3,2-B]PYROLE-5-CARBOXYLIC ACID, ACETATE ION, CADMIUM ION, ...
Authors:Ngo, H.P.T, Kang, L.W.
Deposit date:2015-07-28
Release date:2016-08-03
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of Xoo1075, a peptide deformylase from Xanthomonas oryze pv oryzae, in complex with fragment 83
To Be Published
5HBB
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BU of 5hbb by Molmil
Crystal structure of shaft pilin spaA from Lactobacillus rhamnosus GG - E139A mutant
Descriptor: 1,2-ETHANEDIOL, Cell surface protein SpaA, SODIUM ION, ...
Authors:Chaurasia, P, Pratap, S, von Ossowski, I, Palva, A, Krishnan, V.
Deposit date:2015-12-31
Release date:2016-07-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:New insights about pilus formation in gut-adapted Lactobacillus rhamnosus GG from the crystal structure of the SpaA backbone-pilin subunit
Sci Rep, 6, 2016
3HWW
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BU of 3hww by Molmil
Crystal structure of menaquinone synthesis protein MenD from E. coli in complex with oxoglutarate
Descriptor: 2-OXOGLUTARIC ACID, 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase, CHLORIDE ION, ...
Authors:Priyadarshi, A, Hwang, K.Y.
Deposit date:2009-06-19
Release date:2009-11-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural and functional analysis of Vitamin K2 synthesis protein MenD.
Biochem.Biophys.Res.Commun., 388, 2009
4OF4
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BU of 4of4 by Molmil
X-ray structure of unliganded uridine phosphorylase from Yersinia pseudotuberculosis at 1.4 A resolution
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, SODIUM ION, ...
Authors:Balaev, V.V, Lashkov, A.A, Gabdulkhakov, A.G, Betzel, C, Mikhailov, A.M.
Deposit date:2014-01-14
Release date:2015-02-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:X-ray structure of unliganded uridine phosphorylase from Yersinia pseudotuberculosis at 1.4 A resolution
To be Published
5D3D
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BU of 5d3d by Molmil
Crystal structure of Staphylococcal Superantigen-Like protein 3
Descriptor: CHLORIDE ION, GLYCEROL, SODIUM ION, ...
Authors:Feitsma, L.J, Huizinga, E.G.
Deposit date:2015-08-06
Release date:2015-08-19
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structural basis for inhibition of TLR2 by staphylococcal superantigen-like protein 3 (SSL3).
Proc.Natl.Acad.Sci.USA, 112, 2015

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