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4DO7
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BU of 4do7 by Molmil
Crystal structure of an amidohydrolase (cog3618) from burkholderia multivorans (target efi-500235) with bound zn, space group c2
Descriptor: Amidohydrolase 2, SULFATE ION, ZINC ION
Authors:Vetting, M.W, Toro, R, Bhosle, R, Wasserman, S.R, Morisco, L.L, Sojitra, S, Seidel, R.D, Hillerich, B, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Al Obaidi, N.F, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Raushel, F.M, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2012-02-09
Release date:2012-02-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of an amidohydrolase (cog3618) from burkholderia multivorans (target efi-500235) with bound zn, space group c2
to be published
4DF0
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BU of 4df0 by Molmil
Crystal structure of orotidine 5'-monophosphate decarboxylase from Thermoproteus neutrophilus
Descriptor: CHLORIDE ION, NICKEL (II) ION, Orotidine 5'-phosphate decarboxylase, ...
Authors:Fedorov, A.A, Fedorov, E.V, Desai, B, Gerlt, J.A, Almo, S.C.
Deposit date:2012-01-22
Release date:2013-01-23
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of orotidine 5'-monophosphate decarboxylase from Thermoproteus neutrophilus
To be Published
1M48
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BU of 1m48 by Molmil
Crystal Structure of Human IL-2 Complexed with (R)-N-[2-[1-(Aminoiminomethyl)-3-piperidinyl]-1-oxoethyl]-4-(phenylethynyl)-L-phenylalanine methyl ester
Descriptor: 2-[3-METHYL-4-(N-METHYL-GUANIDINO)-BUTYRYLAMINO]-3-(4-PHENYLETHYNYL-PHENYL)-PROPIONIC ACID METHYL ESTER, interleukin-2
Authors:Arkin, M.A, Randal, M, DeLano, W.L, Hyde, J, Luong, T.N, Oslob, J.D, Raphael, D.R, Taylor, L, Wang, J, McDowell, R.S, Wells, J.A, Braisted, A.C.
Deposit date:2002-07-02
Release date:2002-07-31
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Binding of small molecules to an adaptive protein-protein interface
Proc.Natl.Acad.Sci.USA, 100, 2003
1MFG
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BU of 1mfg by Molmil
The Structure of ERBIN PDZ domain bound to the Carboxy-terminal tail of the ErbB2 Receptor
Descriptor: Erb-B2 INTERACTING PROTEIN, Erb-B2 carboxyl-terminal fragment
Authors:Birrane, G, Chung, J, Ladias, J.A.
Deposit date:2002-08-10
Release date:2003-01-21
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Novel mode of ligand recognition by the erbin PDZ domain
J.Biol.Chem., 278, 2003
1MFL
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BU of 1mfl by Molmil
The Structure of ERBIN PDZ domain bound to the Carboxy-terminal tail of the ErbB2 Receptor
Descriptor: Erb-B2 INTERACTING PROTEIN, PHOSPHORYLATED Erb-B2 carboxyl-terminal fragment.
Authors:Birrane, G, Chung, J, Ladias, J.A.
Deposit date:2002-08-12
Release date:2003-01-21
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Novel mode of ligand recognition by the erbin PDZ domain
J.Biol.Chem., 278, 2003
4F11
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BU of 4f11 by Molmil
Crystal structure of the extracellular domain of human GABA(B) receptor GBR2
Descriptor: Gamma-aminobutyric acid type B receptor subunit 2
Authors:Geng, Y, Xiong, D, Mosyak, L, Malito, D.L, Kniazeff, J, Chen, Y, Burmakina, S, Quick, M, Bush, M, Javitch, J.A, Pin, J.-P, Fan, Q.R.
Deposit date:2012-05-05
Release date:2012-06-06
Last modified:2012-08-15
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Structure and functional interaction of the extracellular domain of human GABA(B) receptor GBR2.
Nat.Neurosci., 15, 2012
4FRL
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BU of 4frl by Molmil
Crystal Structure of BBBB+UDP+Gal at pH 8.0 with MPD as the cryoprotectant
Descriptor: Histo-blood group ABO system transferase, MANGANESE (II) ION, URIDINE-5'-DIPHOSPHATE, ...
Authors:Johal, A.R, Alfaro, J.A, Blackler, R.J, Schuman, B, Borisova, S.N, Evans, S.V.
Deposit date:2012-06-26
Release date:2013-12-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:pH-induced conformational changes in human ABO(H) blood group glycosyltransferases confirm the importance of electrostatic interactions in the formation of the semi-closed state.
Glycobiology, 24, 2014
4F28
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BU of 4f28 by Molmil
The Crystal Structure of a Human MitoNEET mutant with Met 62 Replaced by a Gly
Descriptor: CDGSH iron-sulfur domain-containing protein 1, FE2/S2 (INORGANIC) CLUSTER
Authors:Baxter, E.L, Zuris, J.A, Wang, C, Axelrod, H.L, Cohen, A.E, Paddock, M.L, Nechushtai, R, Onuchic, J.N, Jennings, P.A.
Deposit date:2012-05-07
Release date:2012-12-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Allosteric control in a metalloprotein dramatically alters function.
Proc.Natl.Acad.Sci.USA, 110, 2013
4FKI
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BU of 4fki by Molmil
Crystal Structure of the Cdk2 in Complex with Aminopyrazole Inhibitor
Descriptor: Cyclin-dependent kinase 2, N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide
Authors:Kang, Y.N, Stuckey, J.A.
Deposit date:2012-06-13
Release date:2013-05-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure of the Cdk2 in Complex with Aminopyrazole Inhibitor
To be Published
4FKT
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BU of 4fkt by Molmil
Crystal structure of the cdk2 in complex with oxindole inhibitor
Descriptor: Cyclin-dependent kinase 2, N-[2-(dimethylamino)ethyl]-4-{[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]amino}benzenesulfonamide
Authors:Kang, Y.N, Stuckey, J.A.
Deposit date:2012-06-13
Release date:2013-05-08
Last modified:2013-05-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of the cdk2 in complex with oxindole inhibitor
To be Published
4CDG
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BU of 4cdg by Molmil
Crystal structure of the Bloom's syndrome helicase BLM in complex with Nanobody
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BLOOM SYNDROME PROTEIN, NANOBODY, ...
Authors:Newman, J.A, Savitsky, P, Allerston, C.K, Pike, A.C.W, Pardon, E, Steyaert, J, Arrowsmith, C.H, von Delft, F, Bountra, C, Edwards, A, Gileadi, O.
Deposit date:2013-10-31
Release date:2013-11-13
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.794 Å)
Cite:Crystal Structure of the Bloom'S Syndrome Helicase Indicates a Role for the Hrdc Domain in Conformational Changes.
Nucleic Acids Res., 43, 2015
4CE6
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BU of 4ce6 by Molmil
Mutagenesis of a Rhodobacteraceae L-haloacid dehalogenase
Descriptor: L-HALOACID DEHALOGENASE
Authors:Novak, H.R, Sayer, C, Isupov, M.N, Littlechild, J.A.
Deposit date:2013-11-08
Release date:2014-11-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Mutagenesis of a Rhodobacteraceae L-Haloacid Dehalogenase
To be Published
4C9D
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BU of 4c9d by Molmil
Cas6 (TTHB231) product complex
Descriptor: CAS6B, R3 REPEAT RNA CLEAVAGE PRODUCT
Authors:Jinek, M, Niewoehner, O, Doudna, J.A.
Deposit date:2013-10-02
Release date:2013-11-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Evolution of CRISPR RNA recognition and processing by Cas6 endonucleases.
Nucleic Acids Res., 42, 2014
1JS2
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BU of 1js2 by Molmil
Crystal structure of C77S HiPIP: a serine ligated [4Fe-4S] cluster
Descriptor: IRON/SULFUR CLUSTER, high-potential iron protein
Authors:Mansy, S.S, Xiong, Y, Hemann, C, Hille, R, Sundaralingam, M, Cowan, J.A.
Deposit date:2001-08-16
Release date:2002-01-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure and stability studies of C77S HiPIP: a serine ligated [4Fe-4S] cluster.
Biochemistry, 41, 2002
4C9I
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BU of 4c9i by Molmil
Crystal Structure of the Strawberry Pathogenesis-Related 10 (PR-10) Fra a 1E protein (Form B)
Descriptor: (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol, GLYCEROL, MAJOR STRAWBERRY ALLERGEN FRA A 1-E
Authors:Casanal, A, Zander, U, Valpuesta, V, Marquez, J.A.
Deposit date:2013-10-02
Release date:2013-10-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:The Strawberry Pathogenesis-Related 10 (Pr-10) Fra a Proteins Control Flavonoid Biosynthesis by Binding to Metabolic Intermediates.
J.Biol.Chem., 288, 2013
4C8Z
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BU of 4c8z by Molmil
Cas6 (TTHA0078) product complex
Descriptor: CAS6A, POTASSIUM ION, R1 REPEAT RNA CLEAVAGE PRODUCT, ...
Authors:Jinek, M, Niewoehner, O, Doudna, J.A.
Deposit date:2013-10-02
Release date:2013-11-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.503 Å)
Cite:Evolution of Crispr RNA Recognition and Processing by Cas6 Endonucleases.
Nucleic Acids Res., 42, 2014
1JOU
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BU of 1jou by Molmil
Crystal Structure of Native S195A Thrombin with an Unoccupied Active Site
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, GLYCEROL, ...
Authors:Huntington, J.A, Esmon, C.T.
Deposit date:2001-07-31
Release date:2001-08-10
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The molecular basis of thrombin allostery revealed by a 1.8A structure of the slow form
Structure, 11, 2003
1JQ0
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BU of 1jq0 by Molmil
Mutation that destabilize the gp41 core: determinants for stabilizing the SIV/CPmac envelope glycoprotein complex. Mutant structure.
Descriptor: gp41 envelope protein
Authors:Liu, J, Wang, S, LaBranche, C.C, Hoxie, J.A, Lu, M.
Deposit date:2001-08-03
Release date:2002-04-24
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Mutations that destabilize the gp41 core are determinants for stabilizing the simian immunodeficiency virus-CPmac envelope glycoprotein complex.
J.Biol.Chem., 277, 2002
4CF3
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BU of 4cf3 by Molmil
Mutagenesis of a Rhodobacteraceae L-haloacid dehalogenase
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, L-HALOACID DEHALOGENASE
Authors:Novak, H.R, Sayer, C, Isupov, M.N, Littlechild, J.A.
Deposit date:2013-11-13
Release date:2014-11-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Mutagenesis of a Rhodobacteraceae L-Haloacid Dehalogenase
To be Published
1JHI
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BU of 1jhi by Molmil
Solution Structure of a Hedamycin-DNA complex
Descriptor: 5'-D(*AP*CP*CP*(HEH)GP*GP*T)-3', HEDAMYCIN
Authors:Owen, E.A, Burley, G.A, Carver, J.A, Wickham, G, Keniry, M.A.
Deposit date:2001-06-27
Release date:2003-07-08
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structural investigation of the hedamycin:d(ACCGGT)2 complex by NMR and restrained molecular dynamics.
Biochem.Biophys.Res.Commun., 290, 2002
1JMO
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BU of 1jmo by Molmil
Crystal Structure of the Heparin Cofactor II-S195A Thrombin Complex
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Baglin, T.P, Carrell, R.W, Esmon, C.T, Huntington, J.A.
Deposit date:2001-07-19
Release date:2002-08-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of native and thrombin-complexed heparin cofactor II reveal a multistep allosteric mechanism.
Proc.Natl.Acad.Sci.USA, 99, 2002
4FKU
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BU of 4fku by Molmil
Crystal structure of the cdk2 in complex with oxindole inhibitor
Descriptor: (3Z)-2-oxo-3-[2-(4-sulfamoylphenyl)hydrazinylidene]-2,3-dihydro-1H-indole-5-carboxylic acid, Cyclin-dependent kinase 2, GLYCEROL
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 (1.47 Å)
Cite:Crystal structure of the cdk2 in complex with oxindole inhibitor
To be Published
4FKQ
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BU of 4fkq by Molmil
Crystal structure of the cdk2 in complex with oxindole inhibitor
Descriptor: 4-[(2Z)-2-(7-oxidanylidene-3,6-dihydropyrrolo[3,2-e]benzotriazol-8-ylidene)hydrazinyl]benzenesulfonamide, Cyclin-dependent kinase 2, GLYCEROL
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 (1.75 Å)
Cite:Crystal structure of the cdk2 in complex with oxindole inhibitor
To be Published
4FKG
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BU of 4fkg by Molmil
Crystal structure of the cdk2 in complex with aminopyrazole inhibitor
Descriptor: 4-[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoyl]benzoic acid, Cyclin-dependent kinase 2
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 (1.51 Å)
Cite:Crystal structure of the cdk2 in complex with aminopyrazole inhibitor
To be Published
4FKS
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BU of 4fks by Molmil
Crystal structure of the cdk2 in complex with oxindole inhibitor
Descriptor: Cyclin-dependent kinase 2, N-[(4-{[(Z)-(7-oxo-6,7-dihydro-8H-[1,3]thiazolo[5,4-e]indol-8-ylidene)methyl]amino}phenyl)sulfonyl]acetamide
Authors:Kang, Y.N, Stuckey, J.A.
Deposit date:2012-06-13
Release date:2013-05-08
Last modified:2013-05-22
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of the cdk2 in complex with oxindole inhibitor
To be Published

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