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3ITY
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Metal-free form of Pseudomonas stutzeri L-rhamnose isomerase
Descriptor: L-rhamnose isomerase
Authors:Yoshida, H, Yamaji, M, Ishii, T, Izumori, K, Kamitori, S.
Deposit date:2009-08-28
Release date:2010-02-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Catalytic reaction mechanism of Pseudomonas stutzeri l-rhamnose isomerase deduced from X-ray structures
Febs J., 277, 2010
3ITZ
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BU of 3itz by Molmil
Crystal Structure of p38a Mitogen-Activated Protein Kinase in Complex with a Pyrazolopyridazine Inhibitor
Descriptor: 4-chloro-N-cyclopropyl-3-{[1-(2,6-difluorophenyl)-1H-pyrazolo[3,4-d]pyridazin-4-yl]amino}benzamide, Mitogen-activated protein kinase 14
Authors:Mohr, C, Jordan, S.
Deposit date:2009-08-28
Release date:2010-03-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Part 2: Structure-activity relationship (SAR) investigations of fused pyrazoles as potent, selective and orally available inhibitors of p38alpha mitogen-activated protein kinase.
Bioorg.Med.Chem.Lett., 20, 2010
3IU0
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BU of 3iu0 by Molmil
Structural basis for zymogen activation and substrate binding of transglutaminase from Streptomyces mobaraense
Descriptor: Protein-glutamine gamma-glutamyltransferase
Authors:Li, T.T.
Deposit date:2009-08-28
Release date:2010-09-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for zymogen activation and substrate binding of transglutaminase from Streptomyces mobaraense
To be Published
3IU1
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BU of 3iu1 by Molmil
Crystal Structure of human type-I N-myristoyltransferase with bound myristoyl-CoA
Descriptor: Glycylpeptide N-tetradecanoyltransferase 1, TETRADECANOYL-COA
Authors:Qiu, W, Hutchinson, A, Wernimont, A, Lin, Y.-H, Kania, A, Ravichandran, M, Kozieradzki, I, Cossar, D, Schapira, M, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Wyatt, P.G, Ferguson, M.A.J, Frearson, J.A, Brand, S.Y, Robinson, D.A, Bochkarev, A, Hui, R, Structural Genomics Consortium (SGC)
Deposit date:2009-08-29
Release date:2009-09-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Crystal Structure of human type-I N-myristoyltransferase with bound myristoyl-CoA
To be Published
3IU2
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BU of 3iu2 by Molmil
Crystal Structure of human type-I N-myristoyltransferase with bound myristoyl-CoA and inhibitor DDD90096
Descriptor: (2R)-2-{4-hydroxy-5-methoxy-2-[3-(4-methylpiperazin-1-yl)propyl]phenyl}-3-pyridin-3-yl-1,3-thiazolidin-4-one, Glycylpeptide N-tetradecanoyltransferase 1, TETRADECANOYL-COA
Authors:Qiu, W, Hutchinson, A, Wernimont, A, Lin, Y.-H, Kania, A, Ravichandran, M, Kozieradzki, I, Cossar, D, Schapira, M, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Wyatt, P.G, Ferguson, M.A.J, Frearson, J.A, Brand, S.Y, Robinson, D.A, Bochkarev, A, Hui, R, Structural Genomics Consortium (SGC)
Deposit date:2009-08-29
Release date:2009-09-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Crystal Structure of human type-I N-myristoyltransferase with bound myristoyl-CoA and inhibitor DDD90096
To be Published
3IU3
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BU of 3iu3 by Molmil
Crystal structure of the Fab fragment of therapeutic antibody Basiliximab in complex with IL-2Ra (CD25) ectodomain
Descriptor: Heavy chain of Fab fragment of Basiliximab, Interleukin-2 receptor alpha chain, Light chain of Fab fragment of Basiliximab, ...
Authors:Du, J, Yang, H, Wang, J, Ding, J.
Deposit date:2009-08-29
Release date:2010-01-26
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for the blockage of IL-2 signaling by therapeutic antibody basiliximab
J.Immunol., 184, 2010
3IU4
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BU of 3iu4 by Molmil
anti NeuGcGM3 ganglioside chimeric antibody chP3
Descriptor: SULFATE ION, chP3 Fab heavy chain, chP3 Fab light chain
Authors:Eriksson, A, Okvist, M, Talavera, A, Krengel, U.
Deposit date:2009-08-29
Release date:2009-12-08
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of an anti-ganglioside antibody, and modelling of the functional mimicry of its NeuGc-GM3 antigen by an anti-idiotypic antibody.
Mol.Immunol., 46, 2009
3IU5
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BU of 3iu5 by Molmil
Crystal structure of the first bromodomain of human poly-bromodomain containing protein 1 (PB1)
Descriptor: Protein polybromo-1
Authors:Filippakopoulos, P, Picaud, S, Keates, T, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2009-08-30
Release date:2009-09-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
3IU6
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BU of 3iu6 by Molmil
Crystal structure of the sixth bromodomain of human poly-bromodomain containing protein 1 (PB1)
Descriptor: 1,2-ETHANEDIOL, Protein polybromo-1, ZINC ION
Authors:Filippakopoulos, P, Keates, T, Picaud, S, Pike, A.C.W, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2009-08-30
Release date:2009-09-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
3IU7
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BU of 3iu7 by Molmil
M. tuberculosis methionine aminopeptidase with Mn inhibitor A02
Descriptor: 5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC ACID, CHLORIDE ION, MANGANESE (II) ION, ...
Authors:Ye, Q.Z, Lu, J.P.
Deposit date:2009-08-30
Release date:2010-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Catalysis and Inhibition of Mycobacterium tuberculosis Methionine Aminopeptidase
J.Med.Chem., 53, 2010
3IU8
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BU of 3iu8 by Molmil
M. tuberculosis methionine aminopeptidase with Ni inhibitor T03
Descriptor: 3-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazole, CHLORIDE ION, Methionine aminopeptidase, ...
Authors:Ye, Q.Z, Lu, J.P.
Deposit date:2009-08-30
Release date:2010-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Catalysis and Inhibition of Mycobacterium tuberculosis Methionine Aminopeptidase
J.Med.Chem., 53, 2010
3IU9
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BU of 3iu9 by Molmil
M. tuberculosis methionine aminopeptidase with Ni inhibitor T07
Descriptor: 5-[(2,4-dichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-amine, CHLORIDE ION, Methionine aminopeptidase, ...
Authors:Ye, Q.Z, Lu, J.P.
Deposit date:2009-08-30
Release date:2010-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Catalysis and Inhibition of Mycobacterium tuberculosis Methionine Aminopeptidase
J.Med.Chem., 53, 2010
3IUB
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BU of 3iub by Molmil
Crystal structure of pantothenate synthetase from Mycobacterium tuberculosis in complex with 5-Methoxy-N-(5-methylpyridin-2-ylsulfonyl)-1H-indole-2-carboxamide
Descriptor: 1,2-ETHANEDIOL, 5-methoxy-N-[(5-methylpyridin-2-yl)sulfonyl]-1H-indole-2-carboxamide, ETHANOL, ...
Authors:Silvestre, H.L, Hung, A.W, Wen, S, Ciulli, A, Blundell, T.L, Abell, C.
Deposit date:2009-08-31
Release date:2009-10-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Application of fragment growing and fragment linking to the discovery of inhibitors of Mycobacterium tuberculosis pantothenate synthetase.
Angew.Chem.Int.Ed.Engl., 48, 2009
3IUC
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BU of 3iuc by Molmil
Crystal structure of the human 70kDa heat shock protein 5 (BiP/GRP78) ATPase domain in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Heat shock 70kDa protein 5 (Glucose-regulated protein, ...
Authors:Wisniewska, M, Karlberg, T, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kallas, A, Kotyenova, T, Kotzch, A, Kraulis, P, Markova, N, Moche, M, Nielsen, T.K, Nordlund, P, Nyman, T, Persson, C, Roos, A, Schutz, P, Siponen, M.I, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Schuler, H, Structural Genomics Consortium (SGC)
Deposit date:2009-08-31
Release date:2009-09-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of the ATPase domains of four human Hsp70 isoforms: HSPA1L/Hsp70-hom, HSPA2/Hsp70-2, HSPA6/Hsp70B', and HSPA5/BiP/GRP78
Plos One, 5, 2010
3IUD
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BU of 3iud by Molmil
Cu2+-bound form of Pseudomonas stutzeri L-rhamnose isomerase
Descriptor: COPPER (II) ION, L-rhamnose isomerase
Authors:Yoshida, H, Yamaji, M, Ishii, T, Izumori, K, Kamitori, S.
Deposit date:2009-08-31
Release date:2010-02-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Catalytic reaction mechanism of Pseudomonas stutzeri l-rhamnose isomerase deduced from X-ray structures
Febs J., 277, 2010
3IUE
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BU of 3iue by Molmil
Crystal structure of pantothenate synthetase in complex with 2-(5-methoxy-2-(5-Methylpyridin-2-ylsulfonylcarbamoyl)-1H-indol-1-yl) acetic acid
Descriptor: (5-methoxy-2-{[(5-methylpyridin-2-yl)sulfonyl]carbamoyl}-1H-indol-1-yl)acetic acid, 1,2-ETHANEDIOL, ETHANOL, ...
Authors:Silvestre, H.L, Wen, S, Hung, A.W, Ciulli, A, Blundell, T.L, Abell, C.
Deposit date:2009-08-31
Release date:2009-10-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Application of fragment growing and fragment linking to the discovery of inhibitors of Mycobacterium tuberculosis pantothenate synthetase.
Angew.Chem.Int.Ed.Engl., 48, 2009
3IUF
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BU of 3iuf by Molmil
Crystal structure of the C2H2-type zinc finger domain of human ubi-d4
Descriptor: ZINC ION, Zinc finger protein ubi-d4
Authors:Tempel, W, Xu, C, Bian, C, Adams-Cioaba, M, Eryilmaz, J, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2009-08-31
Release date:2009-11-03
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the Cys2His2-type zinc finger domain of human DPF2.
Biochem.Biophys.Res.Commun., 413, 2011
3IUG
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BU of 3iug by Molmil
Crystal structure of the RhoGAP domain of RICS
Descriptor: Rho/Cdc42/Rac GTPase-activating protein RICS, UNKNOWN ATOM OR ION
Authors:Nedyalkova, L, Tempel, W, Tong, Y, Li, Y, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2009-08-31
Release date:2009-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Crystal structure of the RhoGAP domain of RICS
to be published
3IUH
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BU of 3iuh by Molmil
Co2+-bound form of Pseudomonas stutzeri L-rhamnose isomerase
Descriptor: COBALT (II) ION, L-rhamnose isomerase
Authors:Yoshida, H, Yamaji, M, Ishii, T, Izumori, K, Kamitori, S.
Deposit date:2009-08-31
Release date:2010-02-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Catalytic reaction mechanism of Pseudomonas stutzeri l-rhamnose isomerase deduced from X-ray structures
Febs J., 277, 2010
3IUI
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BU of 3iui by Molmil
Zn2+-bound form of Pseudomonas stutzeri L-rhamnose isomerase
Descriptor: L-rhamnose isomerase, ZINC ION
Authors:Yoshida, H, Yamaji, M, Ishii, T, Izumori, K, Kamitori, S.
Deposit date:2009-08-31
Release date:2010-02-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Catalytic reaction mechanism of Pseudomonas stutzeri l-rhamnose isomerase deduced from X-ray structures
Febs J., 277, 2010
3IUJ
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BU of 3iuj by Molmil
apPEP_WT2 opened state
Descriptor: Prolyl endopeptidase
Authors:Chiu, T.K.
Deposit date:2009-08-31
Release date:2010-05-05
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Induced-fit mechanism for prolyl endopeptidase
J.Biol.Chem., 285, 2010
3IUK
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BU of 3iuk by Molmil
Crystal structure of putative bacterial protein of unknown function (DUF885, PF05960.1, ) from Arthrobacter aurescens TC1, reveals fold similar to that of M32 carboxypeptidases
Descriptor: GLYCEROL, MAGNESIUM ION, uncharacterized protein
Authors:Nocek, B, Chhor, G, Cobb, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2009-08-31
Release date:2009-10-27
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of putative bacterial protein of unknown function (DUF885, PF05960.1, ) from Arthrobacter aurescens TC1, reveals fold similar to that of M32 carboxypeptidases
To be Published
3IUL
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BU of 3iul by Molmil
apPEP_WT1 opened state
Descriptor: GLYCEROL, Prolyl endopeptidase
Authors:Chiu, T.K.
Deposit date:2009-08-31
Release date:2010-05-05
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Induced-fit mechanism for prolyl endopeptidase
J.Biol.Chem., 285, 2010
3IUM
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BU of 3ium by Molmil
apPEP_WTX opened state
Descriptor: GLYCEROL, Prolyl Endopeptidase
Authors:Chiu, T.K.
Deposit date:2009-08-31
Release date:2010-05-05
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Induced-fit mechanism for prolyl endopeptidase
J.Biol.Chem., 285, 2010
3IUN
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BU of 3iun by Molmil
apPEP_D622N opened state
Descriptor: GLYCEROL, Prolyl Endopeptidase
Authors:Chiu, T.K.
Deposit date:2009-08-31
Release date:2010-05-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Induced-fit mechanism for prolyl endopeptidase
J.Biol.Chem., 285, 2010

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