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2YGW
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BU of 2ygw by Molmil
Crystal structure of human MCD
Descriptor: 1,2-ETHANEDIOL, MALONYL-COA DECARBOXYLASE, MITOCHONDRIAL, ...
Authors:Vollmar, M, Puranik, S, Krojer, T, Savitsky, P, Allerston, C, Yue, W.W, Chaikuad, A, von Delft, F, Gileadi, O, Kavanagh, K, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Oppermann, U.
Deposit date:2011-04-21
Release date:2012-02-15
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structures of Malonyl-Coenzyme a Decarboxylase Provide Insights Into its Catalytic Mechanism and Disease-Causing Mutations.
Structure, 21, 2013
7S90
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BU of 7s90 by Molmil
Cryogenic Human Hsp90a-NTD bound to adenine
Descriptor: ADENINE, Heat shock protein HSP 90-alpha
Authors:Stachowski, T.R, Vanarotti, M, Lopez, K, Fischer, M.
Deposit date:2021-09-20
Release date:2022-08-03
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Water Networks Repopulate Protein-Ligand Interfaces with Temperature.
Angew.Chem.Int.Ed.Engl., 61, 2022
7S95
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BU of 7s95 by Molmil
Room-temperature Human Hsp90a-NTD bound to adenine
Descriptor: ADENINE, Heat shock protein HSP 90-alpha
Authors:Stachowski, T.R, Vanarotti, M, Lopez, K, Fischer, M.
Deposit date:2021-09-20
Release date:2022-08-03
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Water Networks Repopulate Protein-Ligand Interfaces with Temperature.
Angew.Chem.Int.Ed.Engl., 61, 2022
7S8Y
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BU of 7s8y by Molmil
Cryogenic apo Human Hsp90a-NTD
Descriptor: Heat shock protein HSP 90-alpha
Authors:Stachowski, T.R, Vanarotti, M, Lopez, K, Fischer, M.
Deposit date:2021-09-20
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Water Networks Repopulate Protein-Ligand Interfaces with Temperature.
Angew.Chem.Int.Ed.Engl., 61, 2022
7S9G
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BU of 7s9g by Molmil
Room-temperature Human Hsp90a-NTD bound to BIIB021
Descriptor: 6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-9H-purin-2-amine, Heat shock protein HSP 90-alpha, MAGNESIUM ION
Authors:Stachowski, T.R, Vanarotti, M, Fischer, M.
Deposit date:2021-09-21
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Water Networks Repopulate Protein-Ligand Interfaces with Temperature.
Angew.Chem.Int.Ed.Engl., 61, 2022
7S8Z
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BU of 7s8z by Molmil
Room-temperature apo Human Hsp90a-NTD
Descriptor: Heat shock protein HSP 90-alpha
Authors:Stachowski, T.R, Vanarotti, M, Lopez, K, Fischer, M.
Deposit date:2021-09-20
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Water Networks Repopulate Protein-Ligand Interfaces with Temperature.
Angew.Chem.Int.Ed.Engl., 61, 2022
7S9I
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BU of 7s9i by Molmil
Room-temperature Human Hsp90a-NTD bound to EC144
Descriptor: 5-{2-amino-4-chloro-7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-methylpent-4-yn-2 -ol, Heat shock protein HSP 90-alpha
Authors:Stachowski, T.R, Vanarotti, M, Fischer, M.
Deposit date:2021-09-21
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Water Networks Repopulate Protein-Ligand Interfaces with Temperature.
Angew.Chem.Int.Ed.Engl., 61, 2022
7S99
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BU of 7s99 by Molmil
Room-temperature Human Hsp90a-NTD bound to N6M
Descriptor: Heat shock protein HSP 90-alpha, N-METHYL-9H-PURIN-6-AMINE
Authors:Stachowski, T.R, Vanarotti, M, Lopez, K, Fischer, M.
Deposit date:2021-09-20
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Water Networks Repopulate Protein-Ligand Interfaces with Temperature.
Angew.Chem.Int.Ed.Engl., 61, 2022
1ZBP
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BU of 1zbp by Molmil
X-Ray Crystal Structure of Protein VPA1032 from Vibrio parahaemolyticus. Northeast Structural Genomics Consortium Target VpR44
Descriptor: hypothetical protein VPA1032
Authors:Forouhar, F, Yong, W, Vorobiev, S.M, Ciao, M, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2005-04-08
Release date:2005-04-19
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Functional insights from structural genomics.
J.STRUCT.FUNCT.GENOM., 8, 2007
1U02
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BU of 1u02 by Molmil
Crystal structure of trehalose-6-phosphate phosphatase related protein
Descriptor: GLYCEROL, MAGNESIUM ION, SODIUM ION, ...
Authors:Krishnamurthy, N.R, Kumaran, D, Swaminathan, S, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2004-07-12
Release date:2004-07-20
Last modified:2021-02-03
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Crystal structure of trehalose-6-phosphate phosphatase-related protein: biochemical and biological implications.
Protein Sci., 15, 2006
1TM0
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BU of 1tm0 by Molmil
Crystal Structure of the putative proline racemase from Brucella melitensis, Northeast Structural Genomics Target LR31
Descriptor: PROLINE RACEMASE
Authors:Forouhar, F, Chen, Y, Xiao, R, Ho, C.K, Ma, L.-C, Cooper, B, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2004-06-10
Release date:2004-06-29
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Functional insights from structural genomics.
J.STRUCT.FUNCT.GENOM., 8, 2007
3BGF
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BU of 3bgf by Molmil
X-ray crystal structure of the SARS coronavirus spike receptor binding domain in complex with F26G19 Fab
Descriptor: F26G19 Fab, Spike protein S1
Authors:Pak, J.E, Rini, J.M.
Deposit date:2007-11-26
Release date:2008-12-02
Last modified:2021-03-31
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural insights into immune recognition of the severe acute respiratory syndrome coronavirus S protein receptor binding domain.
J.Mol.Biol., 388, 2009
1SQS
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BU of 1sqs by Molmil
X-Ray Crystal Structure Protein SP1951 of Streptococcus pneumoniae. Northeast Structural Genomics Consortium Target SpR27.
Descriptor: L(+)-TARTARIC ACID, conserved hypothetical protein
Authors:Forouhar, F, Lee, I, Vorobiev, S.M, Xiao, R, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2004-03-19
Release date:2004-03-30
Last modified:2017-12-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Functional insights from structural genomics.
J.STRUCT.FUNCT.GENOM, 8, 2007
4IWW
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BU of 4iww by Molmil
Computational Design of an Unnatural Amino Acid Metalloprotein with Atomic Level Accuracy
Descriptor: COBALT (II) ION, SULFATE ION, Unnatural Amino Acid Mediated Metalloprotein
Authors:Mills, J, Bolduc, J, Khare, S, Stoddard, B, Baker, D.
Deposit date:2013-01-24
Release date:2013-08-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Computational design of an unnatural amino Acid dependent metalloprotein with atomic level accuracy.
J.Am.Chem.Soc., 135, 2013
2IM8
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BU of 2im8 by Molmil
X-Ray Crystal Structure of Protein yppE from Bacillus subtilis. Northeast Structural Genomics Consortium Target SR213.
Descriptor: Hypothetical protein yppE, PHOSPHATE ION
Authors:Kuzin, A.P, Shastry, R, Janjua, H, Cunningham, K, Ma, L.C, Xiao, R, Liu, J, Hang, D, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-10-03
Release date:2006-10-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-Ray structure of hypothetical protein yPPE. Northeast Structural Genomics Consortium target SR213.
To be Published
2IEE
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BU of 2iee by Molmil
Crystal Structure of YCKB_BACSU from Bacillus subtilis. Northeast Structural Genomics Consortium target SR574.
Descriptor: Probable ABC transporter extracellular-binding protein yckB
Authors:Kuzin, A.P, Su, M, Jayaraman, S, Chen, X.C, Jang, M, Cunningham, K, Ma, C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-09-18
Release date:2006-10-03
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of probable ABC transporter extracellular-binding protein yckB from Bacillus subtilis.
To be Published
2K07
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BU of 2k07 by Molmil
Solution NMR structure of human E2-like ubiquitin-fold modifier conjugating enzyme 1 (UFC1). Northeast Structural Genomics Consortium target HR41
Descriptor: Ufm1-conjugating enzyme 1
Authors:Liu, G, Eletsky, A, Atreya, H.S, Aramini, J.M, Xiao, R, Acton, T, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-01-25
Release date:2008-02-19
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:NMR and X-RAY structures of human E2-like ubiquitin-fold modifier conjugating enzyme 1 (UFC1) reveal structural and functional conservation in the metazoan UFM1-UBA5-UFC1 ubiquination pathway.
J.STRUCT.FUNCT.GENOM., 10, 2009
3RJZ
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BU of 3rjz by Molmil
X-ray crystal structure of the putative n-type atp pyrophosphatase from pyrococcus furiosus, the northeast structural genomics target pfr23
Descriptor: N-type ATP pyrophosphatase superfamily
Authors:Forouhar, F, Lee, I, Xiao, R, Acton, T.B, Montelione, G.T, Hunt, J, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2011-04-16
Release date:2011-05-11
Last modified:2012-01-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A large conformational change in the putative ATP pyrophosphatase PF0828 induced by ATP binding.
Acta Crystallogr.,Sect.F, 67, 2011
2HD3
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BU of 2hd3 by Molmil
Crystal Structure of the Ethanolamine Utilization Protein EutN from Escherichia coli, NESG Target ER316
Descriptor: Ethanolamine utilization protein eutN
Authors:Forouhar, F, Zhang, W, Jayaraman, S, Zhao, L, Jiang, M, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-06-19
Release date:2006-08-15
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Functional insights from structural genomics.
J.STRUCT.FUNCT.GENOM., 8, 2007
2KPU
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BU of 2kpu by Molmil
NMR Structure of YbbR family protein Dhaf_0833 (residues 32-118) from Desulfitobacterium hafniense DCB-2: Northeast Structural Genomics Consortium target DhR29B
Descriptor: YbbR family protein
Authors:Cort, J.R, Ramelot, T.A, Yang, Y, Belote, R.L, Ciccosanti, C, Haleema, J, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
Deposit date:2009-10-20
Release date:2009-12-08
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Structures of domains I and IV from YbbR are representative of a widely distributed protein family.
Protein Sci., 20, 2011
2KW2
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BU of 2kw2 by Molmil
Solution NMR of the specialized acyl carrier protein (RPA2022) from Rhodopseudomonas palustris, Northeast Structural Genomics Consortium Target RpR324
Descriptor: Specialized acyl carrier protein
Authors:Rossi, P, Lee, H, Wohlbold, T.J, Valafar, H, Lemak, A, Ertekin, A, Forouhar, F, Ciccosanti, C, Rost, B, Acton, T, Xiao, R, Everett, J, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2010-03-30
Release date:2010-04-21
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structure of a specialized acyl carrier protein essential for lipid A biosynthesis with very long-chain fatty acids in open and closed conformations.
Biochemistry, 51, 2012
2L5N
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BU of 2l5n by Molmil
NMR Structure of YbbR family protein Dhaf_0833 (residues 32-118) from Desulfitobacterium hafniense DCB-2: Northeast Structural Genomics Consortium target DhR29B
Descriptor: YbbR family protein
Authors:Cort, J.R, Barb, A.W, Lee, H, Ramelot, T.A, Yang, Y, Belote, R.L, Ciccosanti, C.R, Haleema, J, Acton, T.B, Xiao, R.R, Everett, J.K, Montelione, G.T, Prestegard, J.H, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
Deposit date:2010-11-02
Release date:2010-12-29
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structures of domains I and IV from YbbR are representative of a widely distributed protein family.
Protein Sci., 20, 2011
3P2E
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BU of 3p2e by Molmil
Structure of an antibiotic related Methyltransferase
Descriptor: 16S rRNA methylase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Sivaraman, J, Husain, N.
Deposit date:2010-10-02
Release date:2010-11-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structural basis for the methylation of A1408 in 16S rRNA by a panaminoglycoside resistance methyltransferase NpmA from a clinical isolate and analysis of the NpmA interactions with the 30S ribosomal subunit.
Nucleic Acids Res., 2010
3P2K
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BU of 3p2k by Molmil
Structure of an antibiotic related Methyltransferase
Descriptor: 16S rRNA methylase, S-ADENOSYLMETHIONINE
Authors:Sivaraman, J, Husain, N.
Deposit date:2010-10-02
Release date:2010-11-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis for the methylation of A1408 in 16S rRNA by a panaminoglycoside resistance methyltransferase NpmA from a clinical isolate and analysis of the NpmA interactions with the 30S ribosomal subunit.
Nucleic Acids Res., 39, 2011
3P2I
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BU of 3p2i by Molmil
Structure of an antibiotic related Methyltransferase
Descriptor: 16S rRNA methylase
Authors:Sivaraman, J, Husain, N.
Deposit date:2010-10-02
Release date:2010-11-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for the methylation of A1408 in 16S rRNA by a panaminoglycoside resistance methyltransferase NpmA from a clinical isolate and analysis of the NpmA interactions with the 30S ribosomal subunit.
Nucleic Acids Res., 39, 2011

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