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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
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
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
4DBE
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BU of 4dbe by Molmil
Crystal structure of orotidine 5'-monophosphate decarboxylase from Sulfolobus solfataricus complexed with inhibitor BMP
Descriptor: 6-HYDROXYURIDINE-5'-PHOSPHATE, GLYCEROL, Orotidine 5'-phosphate decarboxylase, ...
Authors:Fedorov, A.A, Fedorov, E.V, Desai, B, Gerlt, J.A, Almo, S.C.
Deposit date:2012-01-14
Release date:2013-01-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.789 Å)
Cite:Crystal structure of orotidine 5'-monophosphate decarboxylase from Sulfolobus solfataricus complexed with inhibitor BMP
To be Published
4DX3
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BU of 4dx3 by Molmil
Crystal structure of an enolase (mandelate racemase subgroup, target EFI-502086) from Agrobacterium tumefaciens, with a succinimide residue
Descriptor: CHLORIDE ION, GLYCEROL, Mandelate racemase / muconate lactonizing enzyme family protein
Authors:Vetting, M.W, Bouvier, J.T, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2012-02-27
Release date:2012-04-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of an enolase (mandelate racemase subgroup, target EFI-502086) from Agrobacterium tumefaciens, with a succinimide residue
to be published
4DLF
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BU of 4dlf by Molmil
Crystal structure of an amidohydrolase (COG3618) from burkholderia multivorans (TARGET EFI-500235) with bound ZN, space group P3221
Descriptor: Amidohydrolase 2, GLYCEROL, UNKNOWN ATOM OR ION, ...
Authors:Vetting, M.W, Toro, R, Bhosle, R, 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:2012-02-06
Release date:2012-02-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.925 Å)
Cite:Crystal structure of an amidohydrolase (COG3618) from burkholderia multivorans (target efi-500235) with bound ZN, space group P3221
to be published
4DWO
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BU of 4dwo by Molmil
Crystal structure of a haloacid dehalogenase-like hydrolase (Target EFI-900331) from Bacteroides thetaiotaomicron with bound Mg crystal form II
Descriptor: GLYCEROL, Haloacid dehalogenase-like hydrolase, MAGNESIUM ION
Authors:Vetting, M.W, Wasserman, S.R, Morisco, L.L, Sojitra, S, Allen, K.N, Dunaway-Mariano, D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2012-02-26
Release date:2012-03-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of a haloacid dehalogenase-like hydrolase (Target EFI-900331) from Bacteroides thetaiotaomicron with bound Mg crystal form II
To be Published
4DY7
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BU of 4dy7 by Molmil
Crystal structures of protease nexin-1 in complex with S195A thrombin
Descriptor: ACETATE ION, CALCIUM ION, Glia-derived nexin, ...
Authors:Huntington, J.A, Li, W.
Deposit date:2012-02-28
Release date:2012-08-15
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structures of protease nexin-1 in complex with heparin and thrombin suggest a 2-step recognition mechanism.
Blood, 120, 2012
4DMX
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BU of 4dmx by Molmil
Cathepsin K inhibitor
Descriptor: (1R,2R)-N-(1-cyanocyclopropyl)-2-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}cyclohexanecarboxamide, Cathepsin K, GLYCEROL
Authors:Dossetter, A.G, Beeley, H, Bowyer, J, Cook, C.R, Crawford, J.J, Finlayson, J.E, Heron, N.M, Heyes, C, Highton, A.J, Hudson, J.A, Kenny, P.W, Martin, S, MacFaul, P.A, McGuire, T.M, Gutierrez, P.M, Morley, A.D, Morris, J.J, Page, K.M, Rosenbrier Ribeiro, L, Sawney, H, Steinbacher, S, Krapp, S, Jestel, A, Smith, C, Vickers, M.
Deposit date:2012-02-08
Release date:2012-07-11
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:(1R,2R)-N-(1-cyanocyclopropyl)-2-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)cyclohexanecarboxamide (AZD4996): a potent and highly selective cathepsin K inhibitor for the treatment of osteoarthritis.
J.Med.Chem., 55, 2012
4DMY
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BU of 4dmy by Molmil
Cathepsin K inhibitor
Descriptor: (1R,2R)-N-(1-cyanocyclopropyl)-2-[(8-fluoro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)carbonyl]cyclohexanecarboxamide, Cathepsin K, GLYCEROL, ...
Authors:Dossetter, A.G, Beeley, H, Bowyer, J, Cook, C.R, Crawford, J.J, Finlayson, J.E, Heron, N.M, Heyes, C, Highton, A.J, Hudson, J.A, Kenny, P.W, Martin, S, MacFaul, P.A, McGuire, T.M, Gutierrez, P.M, Morley, A.D, Morris, J.J, Page, K.M, Rosenbrier Ribeiro, L, Sawney, H, Steinbacher, S, Krapp, S, Jestel, A, Smith, C, Vickers, M.
Deposit date:2012-02-08
Release date:2012-07-11
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:(1R,2R)-N-(1-cyanocyclopropyl)-2-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)cyclohexanecarboxamide (AZD4996): a potent and highly selective cathepsin K inhibitor for the treatment of osteoarthritis.
J.Med.Chem., 55, 2012
4DU9
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BU of 4du9 by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS I92A/V74A at cryogenic temperature
Descriptor: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
Authors:Caro, J.A, Clark, I, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B.
Deposit date:2012-02-21
Release date:2012-03-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Pressure effects in proteins
To be Published
4DCC
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BU of 4dcc by Molmil
Crystal structure of had family enzyme bt-2542 from bacteroides thetaiotaomicron (target efi-501088)
Descriptor: CHLORIDE ION, Putative haloacid dehalogenase-like hydrolase, SODIUM ION, ...
Authors:Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Allen, K.N, Dunaway-Mariano, D, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2012-01-17
Release date:2012-02-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal Structure of protein Bt-2542 from Bacteroides Thetaiotaomicron (Target Efi-501088)
To be Published
4EK4
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BU of 4ek4 by Molmil
Crystal structure of the cdk2 in complex with aminopyrazole inhibitor
Descriptor: 4-bromo-N-(5-methyl-1H-pyrazol-3-yl)benzamide, Cyclin-dependent kinase 2, SODIUM ION
Authors:Kang, Y.N, Stuckey, J.A.
Deposit date:2012-04-09
Release date:2013-05-01
Last modified:2013-05-08
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Crystal structure of the cdk2 in complex with aminopyrazole inhibitor
To be Published
4E69
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BU of 4e69 by Molmil
Crystal structure of a sugar kinase (target EFI-502132) from Oceanicola granulosus, unliganded structure
Descriptor: 1,2-ETHANEDIOL, 2-dehydro-3-deoxygluconokinase, CHLORIDE ION, ...
Authors:Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2012-03-15
Release date:2012-04-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of a sugar kinase (target EFI-502132) from Oceanicola granulosus, unliganded structure
To be Published
4EEL
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BU of 4eel by Molmil
Crystal structure of HAD FAMILY HYDROLASE DR_1622 from Deinococcus radiodurans R1 (TARGET EFI-501256) with bound citrate and sodium
Descriptor: Beta-phosphoglucomutase-related protein, CITRIC ACID, SODIUM ION
Authors:Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Allen, K.N, Dunaway-Mariano, D, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2012-03-28
Release date:2012-04-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of HAD HYDROLASE DR_1622 Deinococcus radiodurans R1 (TARGET EFI-501256)
To be Published
4ENM
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BU of 4enm by Molmil
Crystal structure of S. pombe Atl1 in complex with damaged DNA containing O6-benzylguanine
Descriptor: Alkyltransferase-like protein 1, DNA (5'-D(*CP*TP*AP*CP*TP*AP*GP*CP*CP*AP*TP*GP*G)-3'), DNA (5'-D(*GP*CP*CP*AP*TP*GP*(BZG)P*CP*TP*AP*GP*TP*A)-3')
Authors:Tubbs, J.L, Arvai, A.S, Tainer, J.A.
Deposit date:2012-04-13
Release date:2012-06-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.8402 Å)
Cite:Atl1 Regulates Choice between Global Genome and Transcription-Coupled Repair of O(6)-Alkylguanines.
Mol.Cell, 47, 2012
4FKO
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BU of 4fko by Molmil
Crystal structure of the cdk2 in complex with thiazolylpyrimidine inhibitor
Descriptor: 2-chloro-N~4~-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-N~1~,N~1~-dimethylbenzene-1,4-diamine, ACETATE ION, 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 (1.55 Å)
Cite:Crystal structure of the cdk2 in complex with thiazolylpyrimidine inhibitor
To be Published
4FNJ
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BU of 4fnj by Molmil
Utilizing the GAAA tetraloop/receptor to facilitate crystal packing and structure determination of a CUG RNA helix
Descriptor: MAGNESIUM ION, RNA (35-MER)
Authors:Coonrod, L.A, Lohman, J.R, Berglund, J.A.
Deposit date:2012-06-19
Release date:2012-10-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Utilizing the GAAA Tetraloop/Receptor To Facilitate Crystal Packing and Determination of the Structure of a CUG RNA Helix.
Biochemistry, 51, 2012
4FRP
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BU of 4frp by Molmil
Crystal Structure of BBBB+UDP+Gal at pH 8.5 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 (2 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
4FRH
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BU of 4frh by Molmil
Crystal Structure of BBBB+UDP+Gal at pH 7.5 with MPD as the cryoprotectant
Descriptor: DI(HYDROXYETHYL)ETHER, Histo-blood group ABO system transferase, MANGANESE (II) ION, ...
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 (1.8 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
4FRQ
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BU of 4frq by Molmil
Crystal Structure of BBBB+UDP+Gal at pH 9.5 with MPD as the cryoprotectant
Descriptor: DI(HYDROXYETHYL)ETHER, Histo-blood group ABO system transferase, MANGANESE (II) ION, ...
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 (2.35 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
4FKJ
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BU of 4fkj by Molmil
Crystal structure of the cdk2 in complex with aminopyrazole inhibitor
Descriptor: ACETATE ION, Cyclin-dependent kinase 2, N-(3-cyclopropyl-1H-pyrazol-5-yl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]acetamide
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 (1.63 Å)
Cite:Crystal structure of the cdk2 in complex with aminopyrazole inhibitor
To be Published
4FKW
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BU of 4fkw by Molmil
Crystal structure of the cdk2 in complex with oxindole inhibitor
Descriptor: 2-methylpropyl (3Z)-2-oxo-3-[2-(4-sulfamoylphenyl)hydrazinylidene]-2,3-dihydro-1H-indole-5-carboxylate, Cyclin-dependent kinase 2, GLYCEROL
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 (1.8 Å)
Cite:Crystal structure of the cdk2 in complex with oxindole inhibitor
To be Published

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