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3E03
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BU of 3e03 by Molmil
Crystal structure of a putative dehydrogenase from Xanthomonas campestris
Descriptor: CALCIUM ION, Short chain dehydrogenase
Authors:Sampathkumar, P, Wasserman, S, Rutter, M, Hu, S, Bain, K, Rodgers, L, Atwell, S, Sauder, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2008-07-30
Release date:2008-09-16
Last modified:2021-02-10
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Crystal structure of a putative dehydrogenase from Xanthomonas campestris
To be Published
4EJ6
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BU of 4ej6 by Molmil
Crystal structure of a putative zinc-binding dehydrogenase (Target PSI-012003) from Sinorhizobium meliloti 1021
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Putative zinc-binding dehydrogenase, ...
Authors:Sampathkumar, P, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2012-04-06
Release date:2012-05-02
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Crystal structure of a putative zinc-binding dehydrogenase from Sinorhizobium meliloti 1021
To be Published
6M1X
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BU of 6m1x by Molmil
Crystal structure of Phosphoserine Phosphatase in complex with 3-Phosphoglyceric Acid from Entamoeba histolytica
Descriptor: 3-PHOSPHOGLYCERIC ACID, PHOSPHATE ION, Phosphoglycerate mutase family protein
Authors:Kumari, P, Gourinath, S.
Deposit date:2020-02-26
Release date:2021-03-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Structural analysis of EhPSP in complex with 3-phosphoglyceric acid from Entamoeba histolytica reveals a basis for its lack of phosphoglycerate mutase activity.
Int.J.Biol.Macromol., 178, 2021
4HC8
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BU of 4hc8 by Molmil
CRYSTAL STRUCTURE OF PROBABLE ENOYL-CoA HYDRATASE ECHA3 (Rv0632c, NYSGRC-019494) from Mycobacterium Tuberculosis H37Rv
Descriptor: 1,2-ETHANEDIOL, Enoyl-CoA hydratase/isomerase family protein, SULFATE ION
Authors:Sampathkumar, P, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2012-09-28
Release date:2012-10-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Crystal structure of probable enoyl-CoA hydratase ECHA3 (Rv0632c, NYSGRC-019494) from Mycobacterium Tuberculosis H37Rv
To be Published
3P3D
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BU of 3p3d by Molmil
Crystal structure of the Nup53 RRM domain from Pichia guilliermondii
Descriptor: Nucleoporin 53
Authors:Sampathkumar, P, Shawn, C, Bain, K, Gilmore, J, Gheyi, T, Atwell, S, Thompson, D.A, Emtage, J.S, Wasserman, S, Sauder, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2010-10-04
Release date:2011-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structure of the Nup53 RRM domain from Pichia guilliermondii
To be Published
4J2H
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BU of 4j2h by Molmil
Crystal structure of a putative short-chain alcohol dehydrogenase from Sinorhizobium meliloti 1021 (Target NYSGRC-011708)
Descriptor: 1,2-ETHANEDIOL, PENTAETHYLENE GLYCOL, SODIUM ION, ...
Authors:Sampathkumar, P, Gizzi, A, Ahmed, M, Banu, N, Bhosle, R, Bonanno, J, Chamala, S, Chowdhury, S, Fiser, A, Glenn, A.S, Hammonds, J, Hillerich, B, Khafizov, K, Lafleur, J, Love, J.D, Stead, M, Seidel, R, Toro, R, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2013-02-04
Release date:2013-05-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of a putative short-chain alcohol dehydrogenase from Sinorhizobium meliloti 1021 (Target NYSGRC-011708)
to be published
3NF5
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BU of 3nf5 by Molmil
Crystal structure of the C-terminal domain of nuclear pore complex component NUP116 from Candida glabrata
Descriptor: GLYCEROL, Nucleoporin NUP116
Authors:Sampathkumar, P, Manglicmot, D, Bain, K, Gilmore, J, Gheyi, T, Rout, M, Sali, A, Atwell, S, Thompson, D.A, Emtage, J.S, Wasserman, S, Sauder, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2010-06-09
Release date:2010-08-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Atomic structure of the nuclear pore complex targeting domain of a Nup116 homologue from the yeast, Candida glabrata.
Proteins, 80, 2012
4JOS
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BU of 4jos by Molmil
Crystal structure of a putative 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Francisella philomiragia ATCC 25017 (Target NYSGRC-029335)
Descriptor: 1,2-ETHANEDIOL, ADENINE, Adenosylhomocysteine nucleosidase, ...
Authors:Sampathkumar, P, Schramm, V.L, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2013-03-18
Release date:2013-04-03
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structure of a putative 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Francisella philomiragia ATCC 25017 (Target NYSGRC-029335)
to be published
3N7C
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BU of 3n7c by Molmil
Crystal structure of the RAN binding domain from the nuclear pore complex component NUP2 from Ashbya gossypii
Descriptor: ABR034Wp
Authors:Sampathkumar, P, Manglicmot, D, Gilmore, J, Bain, K, Gheyi, T, Atwell, S, Thompson, D.A, Emtage, J.S, Wasserman, S, Sauder, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2010-05-26
Release date:2010-06-16
Last modified:2021-02-10
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Crystal structure of the RAN binding domain from the nuclear pore complex component NUP2 from Ashbya gossypii
To be Published
4KN5
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BU of 4kn5 by Molmil
Crystal structure of a putative methylthioadenosine nucleosidase from Weissella paramesenteroides ATCC 33313 (Target NYSGRC-029342 )
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Methylthioadenosine nucleosidase
Authors:Sampathkumar, P, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2013-05-08
Release date:2013-05-29
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of a putative methylthioadenosine nucleosidase from Weissella paramesenteroides ATCC 33313 (Target NYSGRC-029342)
to be published
3PVE
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BU of 3pve by Molmil
Crystal structure of the G2 domain of Agrin from Mus Musculus
Descriptor: Agrin, Agrin protein
Authors:Sampathkumar, P, Do, J, Bain, K, Freeman, J, Gheyi, T, Atwell, S, Thompson, D.A, Emtage, J.S, Wasserman, S, Sauder, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2010-12-07
Release date:2011-01-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of the G2 domain of Agrin from Mus Musculus
To be Published
4JWT
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BU of 4jwt by Molmil
Crystal structure of a putative 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Sulfurimonas denitrificans DSM 1251 (Target NYSGRC-029304 )
Descriptor: 1,2-ETHANEDIOL, ADENINE, Methylthioadenosine nucleosidase
Authors:Sampathkumar, P, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2013-03-27
Release date:2013-05-08
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of a putative 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Sulfurimonas denitrificans DSM 1251
To be Published
4HKT
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BU of 4hkt by Molmil
Crystal structure of a putative myo-inositol dehydrogenase from Sinorhizobium meliloti 1021 (Target PSI-012312)
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Inositol 2-dehydrogenase, ...
Authors:Sampathkumar, P, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2012-10-15
Release date:2012-12-19
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a putative myo-inositoldehydrogenase from Sinorhizobium meliloti 1021 (Target PSI-012312)
to be published
4LDN
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BU of 4ldn by Molmil
Crystal structure of a putative purine nucleoside phosphorylase from Vibrio fischeri ES114 (Target NYSGRC-029521)
Descriptor: 1,2-ETHANEDIOL, PHOSPHATE ION, Purine nucleoside phosphorylase DeoD-type
Authors:Sampathkumar, P, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2013-06-24
Release date:2013-07-03
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Crystal structure of a putative purine nucleoside phosphorylase from Vibrio fischeri ES114 (Target NYSGRC-029521)
to be published
3NO8
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BU of 3no8 by Molmil
Crystal structure of the PHR domain from human BTBD2 Protein
Descriptor: BTB/POZ domain-containing protein 2, GLYCEROL, SULFATE ION
Authors:Sampathkumar, P, Miller, S, Rutter, M, Bain, K, Gheyi, T, Atwell, S, Thompson, D.A, Emtage, J.S, Wasserman, S, Sauder, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2010-06-24
Release date:2010-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of the PHR domain from human BTBD2 Protein
To be Published
3RP1
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BU of 3rp1 by Molmil
Crystal structure of Human LAIR-1 in C2 space group
Descriptor: Leukocyte-associated immunoglobulin-like receptor 1
Authors:Sampathkumar, P, Ramagopal, U.A, Yan, Q, Toro, R, Nathenson, S, Bonanno, J, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2011-04-26
Release date:2011-06-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of Human LAIR-1 in C2 space group
To be Published
4L0M
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BU of 4l0m by Molmil
Crystal structure of a putative 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Borrelia burgdorferi B31 bound to Adenine (Target NYSGRC-029268 )
Descriptor: ADENINE, putative 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase
Authors:Sampathkumar, P, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2013-05-31
Release date:2013-08-14
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of a putative 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Borrelia burgdorferi B31 bound to Adenine (Target NYSGRC-029268 )
to be published
6LE1
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BU of 6le1 by Molmil
Structure of RRM2 domain of DND1 protein
Descriptor: Dead end protein homolog 1, GLYCEROL, SULFATE ION
Authors:Kumari, P, Bhavesh, N.S.
Deposit date:2019-11-23
Release date:2020-12-02
Last modified:2021-06-02
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Human DND1-RRM2 forms a non-canonical domain swapped dimer.
Protein Sci., 30, 2021
5ZKK
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BU of 5zkk by Molmil
Crystal structure of Phosphoserine phosphatase from Entamoeba histolytica
Descriptor: BETA-MERCAPTOETHANOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Kumari, P, Gourinath, S.
Deposit date:2018-03-24
Release date:2019-04-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and functional characterisation of phosphoserine phosphatase, that plays critical role in the oxidative stress response in the parasite Entamoeba histolytica.
J.Struct.Biol., 206, 2019
5ZR2
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BU of 5zr2 by Molmil
Crystal Structure of Phosphoserine Phosphatase Mutant (H9A) from Entamoeba histolytica in complex with Phosphoserine
Descriptor: DI(HYDROXYETHYL)ETHER, PHOSPHOSERINE, Phosphoglycerate mutase family protein, ...
Authors:Kumari, P, Gourinath, S.
Deposit date:2018-04-23
Release date:2019-04-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural and functional characterisation of phosphoserine phosphatase, that plays critical role in the oxidative stress response in the parasite Entamoeba histolytica.
J.Struct.Biol., 206, 2019
4OO6
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BU of 4oo6 by Molmil
Crystal structure of human KAP-beta2 bound to the NLS of HCC1 (Hepato Cellular Carcinoma protein 1)
Descriptor: RNA-binding protein 39, Transportin-1
Authors:Sampathkumar, P, Brower, A, Soniat, M, Bonanno, J, Hillerich, B, Seidel, R.D, Rout, M.P, Chook, Y.M, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Nucleocytoplasmic Transport: a Target for Cellular Control (NPCXstals)
Deposit date:2014-01-30
Release date:2014-02-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of human KAP-beta2 bound to the NLS of HCC1 (Hepato Cellular Carcinoma protein 1)
to be published
7OUP
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BU of 7oup by Molmil
Structure of human DPP3 in complex with a hydroxyethylene transition state peptidomimetic
Descriptor: ((2R,4S,5S)-5-((S)-2-amino-3-methylbutanamido)-2-benzyl-4-hydroxy-6-methylheptanoyl)-L-prolyl-L-tryptophan, Dipeptidyl peptidase 3, MAGNESIUM ION, ...
Authors:Kumar, P, Reithofer, V, Gruber, K.
Deposit date:2021-06-12
Release date:2021-08-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Efficient Entropy-Driven Inhibition of Dipeptidyl Peptidase III by Hydroxyethylene Transition-State Peptidomimetics.
Chemistry, 27, 2021
5K69
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BU of 5k69 by Molmil
Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase 2 with carbapenem drug T224
Descriptor: (2~{S},3~{R},4~{R})-4-(1~{H}-indol-3-ylsulfanyl)-3-methyl-2-[(2~{S},3~{S})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, GLYCEROL, L,D-transpeptidase 2
Authors:Lamichhane, G, Ginell, S.L, Kumar, P.
Deposit date:2016-05-24
Release date:2016-11-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Non-classical transpeptidases yield insight into new antibacterials.
Nat. Chem. Biol., 13, 2017
6NTI
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BU of 6nti by Molmil
Neutron/X-ray crystal structure of AAC-VIa bound to kanamycin b
Descriptor: (1R,2S,3S,4R,6S)-4,6-DIAMINO-3-[(3-AMINO-3-DEOXY-ALPHA-D-GLUCOPYRANOSYL)OXY]-2-HYDROXYCYCLOHEXYL 2,6-DIAMINO-2,6-DIDEOXY-ALPHA-D-GLUCOPYRANOSIDE, Aminoglycoside N(3)-acetyltransferase, MAGNESIUM ION
Authors:Cuneo, M.J, Kumar, P.
Deposit date:2019-01-29
Release date:2019-09-25
Last modified:2024-04-03
Method:NEUTRON DIFFRACTION (2.3 Å), X-RAY DIFFRACTION
Cite:Low-Barrier and Canonical Hydrogen Bonds Modulate Activity and Specificity of a Catalytic Triad.
Angew.Chem.Int.Ed.Engl., 58, 2019
6NTJ
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BU of 6ntj by Molmil
Neutron/X-ray crystal structure of AAC-VIa bound to gentamicin C1A
Descriptor: (2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-4,6-DIAMINO-3-((2R,3R,6S)-3-AMINO-6-(AMINOMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-2-HYDR OXYCYCLOHEXYLOXY)-5-METHYL-4-(METHYLAMINO)-TETRAHYDRO-2H-PYRAN-3,5-DIOL, Aminoglycoside N(3)-acetyltransferase, MAGNESIUM ION
Authors:Cuneo, M.J, Kumar, P.
Deposit date:2019-01-29
Release date:2019-09-25
Last modified:2024-04-03
Method:NEUTRON DIFFRACTION (1.9 Å), X-RAY DIFFRACTION
Cite:Low-Barrier and Canonical Hydrogen Bonds Modulate Activity and Specificity of a Catalytic Triad.
Angew.Chem.Int.Ed.Engl., 58, 2019

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