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1XS1
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BU of 1xs1 by Molmil
dCTP deaminase from Escherichia coli in complex with dUTP
Descriptor: DEOXYURIDINE-5'-TRIPHOSPHATE, Deoxycytidine triphosphate deaminase, MAGNESIUM ION
Authors:Johansson, E, Fano, M, Bynck, J.H, Neuhard, J, Larsen, S, Sigurskjold, B.W, Christensen, U, Willemoes, M.
Deposit date:2004-10-18
Release date:2004-12-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structures of dCTP deaminase from Escherichia coli with bound substrate and product: reaction mechanism and determinants of mono- and bifunctionality for a family of enzymes
J.Biol.Chem., 280, 2005
2KKQ
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BU of 2kkq by Molmil
Solution NMR Structure of the Ig-like C2-type 2 Domain of Human Myotilin. Northeast Structural Genomics Target HR3158.
Descriptor: Myotilin
Authors:Rossi, P, Shastry, R, Ciccosanti, C, Hamilton, K, Xiao, R, Acton, T.B, Swapna, G.V.T, Nair, R, Everett, J.K, Rost, B, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2009-06-29
Release date:2009-07-07
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution NMR Structure of the Ig-like C2-type 2 Domain of Human Myotilin. Northeast Structural Genomics Target HR3158.
To be Published
2KCX
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BU of 2kcx by Molmil
Solution NMR Structure of Kazal-1 Domain of Human Follistatin-related protein 3 (FSTL-3). Northeast Structural Genomics Target HR6186A.
Descriptor: Follistatin-related protein 3
Authors:Rossi, P, Chiang, Y, Anderson, S, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-12-30
Release date:2009-03-10
Last modified:2024-11-20
Method:SOLUTION NMR
Cite:Solution NMR Structure of Kazal-1 Domain of Human Follistatin-related protein 3 (FSTL-3). Northeast Structural Genomics Target HR6186A.
To be Published
2K5W
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BU of 2k5w by Molmil
Solution NMR Structure of Putative Lipoprotein from Bacillus cereus Ordered Locus BC_2438. Northeast Structural Genomics Target BcR103A.
Descriptor: Hypothetical Cytosolic Protein BcR103A
Authors:Conover, K.M, Swapna, G, Rossi, P, Wang, D, Janjua, H, Owens, L, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-06-30
Release date:2008-08-26
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution NMR Structure of Putative Lipoprotein from Bacillus cereus Ordered Locus BC_2438. Northeast Structural Genomics Target BcR103A.
To be Published
2KD1
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BU of 2kd1 by Molmil
Solution NMR structure of the integrase-like domain from Bacillus cereus ordered locus BC_1272. Northeast Structural Genomics Consortium Target BcR268F
Descriptor: DNA integration/recombination/invertion protein
Authors:Rossi, P, Lee, H, Maglaqui, M, Foote, E.L, Buchwald, W.A, Jiang, M, Swapna, G.V.T, Nair, R, Xiao, R, Acton, T.B, Rost, B, Prestegard, J.H, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-12-31
Release date:2009-01-20
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution NMR Structure of the Integrase-Like Domain from Bacillus cereus Ordered Locus BC_1272. Northeast Structural Genomics Consortium Target BcR268F.
To be Published
5NNS
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BU of 5nns by Molmil
Crystal structure of HiLPMO9B
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACRYLIC ACID, COPPER (II) ION, ...
Authors:Dimarogona, M, Sandgren, M.
Deposit date:2017-04-10
Release date:2018-05-16
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and molecular dynamics studies of a C1-oxidizing lytic polysaccharide monooxygenase from Heterobasidion irregulare reveal amino acids important for substrate recognition.
FEBS J., 285, 2018
3TXB
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BU of 3txb by Molmil
HEWL co-crystallization with cisplatin in aqueous media with glycerol as the cryoprotectant
Descriptor: CHLORIDE ION, GLYCEROL, Lysozyme C, ...
Authors:Tanley, S.W.M, Schreurs, A.M.M, Helliwell, J.R, Kroon-Batenburg, L.M.J.
Deposit date:2011-09-23
Release date:2013-01-30
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Experience with exchange and archiving of raw data: comparison of data from two diffractometers and four software packages on a series of lysozyme crystals.
J.Appl.Crystallogr., 46, 2013
3TXJ
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BU of 3txj by Molmil
HEWL co-crystallization with NAG with silicone oil as the cryoprotectant
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Lysozyme C, ...
Authors:Tanley, S.W.M, Schreurs, A.M.M, Helliwell, J.R, Kroon-Batenburg, L.M.J.
Deposit date:2011-09-23
Release date:2013-01-30
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Experience with exchange and archiving of raw data: comparison of data from two diffractometers and four software packages on a series of lysozyme crystals.
J.Appl.Crystallogr., 46, 2013
2XMY
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BU of 2xmy by Molmil
Discovery and Characterisation of 2-Anilino-4-(thiazol-5-yl) pyrimidine Transcriptional CDK Inhibitors as Anticancer Agents
Descriptor: 4-[4-(3,4-DIMETHYL-2-OXO-2,3-DIHYDRO-THIAZOL-5-YL)-PYRIMIDIN-2-YLAMINO]-N-(2-METHOXY-ETHYL)-BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2
Authors:Wang, S, Griffiths, G, Midgley, C.A, Barnett, A.L, Cooper, M, Grabarek, J, Ingram, L, Jackson, W, Kontopidis, G, McClue, S.J, McInnes, C, McLachlan, J, Meades, C, Mezna, M, Stuart, I, Thomas, M.P, Zheleva, D.I, Lane, D.P, Jackson, R.C, Glover, D.M, Blake, D.G, Fischer, P.M.
Deposit date:2010-07-29
Release date:2010-11-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery and Characterisation of 2-Anilino-4-(Thiazol-5-Yl)Pyrimidine Transcriptional Cdk Inhibitors as Anticancer Agents
Chem.Biol., 17, 2010
2IZ9
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BU of 2iz9 by Molmil
MS2-RNA HAIRPIN (4ONE -5) COMPLEX
Descriptor: 5'-R(*AP*CP*AP*UP*GP*AP*GP*GP*AP*U ONEP *AP*CP*CP*CP*AP*UP*GP*U)-3', MS2 COAT PROTEIN
Authors:Grahn, E, Stonehouse, N.J, Adams, C.J, Fridborg, K, Beigelman, L, Matulic-Adamic, J, Warriner, S.L, Stockley, P.G, Liljas, L.
Deposit date:2006-07-25
Release date:2006-07-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Deletion of a Single Hydrogen Bonding Atom from the MS2 RNA Operator Leads to Dramatic Rearrangements at the RNA-Coat Protein Interface
Nucleic Acids Res., 28, 2000
1XB3
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BU of 1xb3 by Molmil
The D62C/K74C double mutant of Pseudomonas Aeruginosa Azurin
Descriptor: Azurin, COPPER (II) ION
Authors:Tigerstrom, A, Schwarz, F, Karlsson, G, Okvist, M, Alvarez-Rua, C, Maeder, D, Robb, F.T, Sjolin, L.
Deposit date:2004-08-27
Release date:2004-10-19
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.501 Å)
Cite:Effects of a novel disulfide bond and engineered electrostatic interactions on the thermostability of azurin
Biochemistry, 43, 2004
2JAC
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BU of 2jac by Molmil
Glutaredoxin Grx1p C30S mutant from yeast
Descriptor: GLUTAREDOXIN-1, GLUTATHIONE
Authors:Hakansson, K.O, Winther, J.R.
Deposit date:2006-11-27
Release date:2006-12-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Structure of Glutaredoxin Grx1P C30S Mutant from Yeast.
Acta Crystallogr.,Sect.D, 63, 2007
2K50
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BU of 2k50 by Molmil
Solution NMR Structure of the replication Factor A Related Protein from Methanobacterium thermoautotrophicum. Northeast Structural Genomics Target TR91A.
Descriptor: Replication factor A related protein
Authors:Rossi, P, Xiao, R, Maglaqui, M, Foote, E.L, Ciccosanti, C, Swapna, G, Acton, T.B, Rost, B, Everett, J.K, Jiang, M, Nair, R, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-06-23
Release date:2008-07-15
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution NMR Structure of the replication Factor A Related Protein from Methanobacterium thermoautotrophicum. Northeast Structural Genomics Target TR91A.
To be Published
3TXI
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BU of 3txi by Molmil
HEWL co-crystallization with carboplatin in DMSO media with paratone as the cryoprotectant
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, Lysozyme C, ...
Authors:Tanley, S.W.M, Schreurs, A.M.M, Helliwell, J.R, Kroon-Batenburg, L.M.J.
Deposit date:2011-09-23
Release date:2013-01-30
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Experience with exchange and archiving of raw data: comparison of data from two diffractometers and four software packages on a series of lysozyme crystals.
J.Appl.Crystallogr., 46, 2013
2CEN
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BU of 2cen by Molmil
P1' Extended HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol in the Transition-State Mimicking Scaffold
Descriptor: POL PROTEIN, {(1S)-1-[N'-[(2S)-2-HYDROXY-2-((1S,2R)-2-HYDROXY-INDAN-1-YLCARBAMOYL)-3-PHENYL-PROPYL]-N'-[4-(PYRIDINE-2-YL)-BENZYL]-HYDRAZINOCARBONYL]-2,2-DIMETHYL-PROPYL}-CARBAMIC ACID METHYL ESTER
Authors:Ginman, N, Ekegren, J.K, Johansson, A, Wallberg, H, Larhed, M, Samuelsson, B, Hallberg, A, Unge, T.
Deposit date:2006-02-08
Release date:2007-02-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Microwave-Accelerated Synthesis of P1'-Extended HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol in the Transition-State Mimicking Scaffold.
J.Med.Chem., 49, 2006
1XR8
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BU of 1xr8 by Molmil
Crystal Structures of HLA-B*1501 in Complex with Peptides from Human UbcH6 and Epstein-Barr Virus EBNA-3
Descriptor: Beta-2-microglobulin, EBNA-3 nuclear protein, GLYCEROL, ...
Authors:Roder, G, Blicher, T, Johannessen, B.R, Kristensen, O, Buus, S, Gajhede, M.
Deposit date:2004-10-14
Release date:2005-04-14
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures of two peptide-HLA-B*1501 complexes; structural characterization of the HLA-B62 supertype
Acta Crystallogr.,Sect.D, 62, 2006
1XTU
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BU of 1xtu by Molmil
Sulfolobus solfataricus uracil phosphoribosyltransferase in complex with uridine 5'-monophosphate (UMP) and cytidine 5'-triphosphate (CTP)
Descriptor: CYTIDINE-5'-TRIPHOSPHATE, Probable uracil phosphoribosyltransferase, URIDINE-5'-MONOPHOSPHATE
Authors:Arent, S, Harris, P, Jensen, K.F, Larsen, S.
Deposit date:2004-10-24
Release date:2005-02-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Allosteric Regulation and Communication between Subunits in Uracil Phosphoribosyltransferase from Sulfolobus solfataricus(,)
Biochemistry, 44, 2005
2H1V
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BU of 2h1v by Molmil
Crystal structure of the Lys87Ala mutant variant of Bacillus subtilis ferrochelatase
Descriptor: Ferrochelatase, MAGNESIUM ION
Authors:Hansson, M.D, Karlberg, T, Arys Rahardja, M, Al-Karadaghi, S, Hansson, M.
Deposit date:2006-05-17
Release date:2007-01-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Amino Acid Residues His183 and Glu264 in Bacillus subtilis Ferrochelatase Direct and Facilitate the Insertion of Metal Ion into Protoporphyrin IX
Biochemistry, 46, 2007
2KL7
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BU of 2kl7 by Molmil
Solution NMR Structure of the EGF-like 1 Domain of Human Fibulin-4. Northeast Structural Genomics Target HR6275
Descriptor: Fibulin-4
Authors:Rossi, P, Chiang, Y, Anderson, S, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2009-06-30
Release date:2009-07-21
Last modified:2024-10-30
Method:SOLUTION NMR
Cite:Solution NMR Structure of the EGF-like 1 Domain of Human Fibulin-4. Northeast Structural Genomics Target HR6275
To be Published
2KPM
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BU of 2kpm by Molmil
Solution NMR Structure of uncharacterized protein from gene locus NE0665 of Nitrosomonas europaea. Northeast Structural Genomics Target NeR103A
Descriptor: Uncharacterized protein
Authors:Rossi, P, Belote, R, Jiang, M, Xiao, R, Ciccosanti, C, Acton, T, Everett, J, Rost, B, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2009-10-16
Release date:2009-12-15
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution NMR Structure of uncharacterized protein from gene locus NE0665 of Nitrosomonas europaea. Northeast Structural Genomics Target NeR103A
To be Published
3S3I
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BU of 3s3i by Molmil
p38 kinase crystal structure in complex with small molecule inhibitor
Descriptor: 3-(3-tert-butyl[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-4-methylbenzamide, Mitogen-activated protein kinase 14
Authors:Segarra, V, Aiguade, J, Roca, R, Fisher, M, Lamers, M.
Deposit date:2011-05-18
Release date:2012-04-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Novel triazolopyridylbenzamides as potent and selective p38 alpha inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
2ZB0
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BU of 2zb0 by Molmil
Crystal structure of P38 in complex with biphenyl amide inhibitor
Descriptor: GLYCEROL, Mitogen-activated protein kinase 14, N-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)-4-biphenylcarboxamide
Authors:Somers, D.O.
Deposit date:2007-10-13
Release date:2008-01-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Biphenyl amide p38 kinase inhibitors 1: Discovery and binding mode
Bioorg.Med.Chem.Lett., 18, 2008
2CCR
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BU of 2ccr by Molmil
Structure of Beta-1,4-Galactanase
Descriptor: CALCIUM ION, TRIETHYLENE GLYCOL, YVFO, ...
Authors:Le Nours, J, De Maria, L, Welner, D, Jorgensen, C.T, Christensen, L.L.H, Larsen, S, Lo Leggio, L.
Deposit date:2006-01-18
Release date:2006-03-21
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Investigating the Binding of Beta-1,4-Galactan to Bacillus Licheniformis Beta-1,4-Galactanase by Crystallography and Computational Modeling.
Proteins, 75, 2009
8KDN
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BU of 8kdn by Molmil
Structure of LAT1-CD98hc in complex with L-Phe, focused on TMD
Descriptor: 4F2 cell-surface antigen heavy chain, Large neutral amino acids transporter small subunit 1, PHENYLALANINE
Authors:Lee, Y.
Deposit date:2023-08-09
Release date:2025-02-12
Last modified:2025-02-26
Method:ELECTRON MICROSCOPY (4.12 Å)
Cite:Structural basis of anticancer drug recognition and amino acid transport by LAT1.
Nat Commun, 16, 2025
8KDH
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BU of 8kdh by Molmil
Structure of LAT1-CD98hc in complex with BCH, focused on TMD
Descriptor: (1~{S},2~{R},4~{R})-2-azanylbicyclo[2.2.1]heptane-2-carboxylic acid, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 4F2 cell-surface antigen heavy chain, ...
Authors:Lee, Y.
Deposit date:2023-08-09
Release date:2025-02-12
Last modified:2025-02-26
Method:ELECTRON MICROSCOPY (3.78 Å)
Cite:Structural basis of anticancer drug recognition and amino acid transport by LAT1.
Nat Commun, 16, 2025

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数据于2025-07-23公开中

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