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3LMF
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BU of 3lmf by Molmil
Crystal Structure of Nmul_A1745 protein from Nitrosospira multiformis, Northeast Structural Genomics Consortium Target NmR72
Descriptor: Uncharacterized protein
Authors:Forouhar, F, Lew, S, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Lee, D, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2010-01-29
Release date:2010-02-16
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Northeast Structural Genomics Consortium Target NmR72
To be Published
4ZVI
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BU of 4zvi by Molmil
GYRASE B IN COMPLEX WITH 4,5-DIBROMOPYRROLAMIDE-BASED INHIBITOR
Descriptor: DNA gyrase subunit B, IODIDE ION, N-(4-{[(4,5-dibromo-1H-pyrrol-2-yl)carbonyl]amino}benzoyl)glycine
Authors:Zidar, N, Macut, H, Tomasic, T, Brvar, M, Montalvao, S, Tammela, P, Solmajer, T, Peterlin Masic, L, Ilas, J, Kikelj, D.
Deposit date:2015-05-18
Release date:2015-07-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:N-Phenyl-4,5-dibromopyrrolamides and N-Phenylindolamides as ATP Competitive DNA Gyrase B Inhibitors: Design, Synthesis, and Evaluation.
J.Med.Chem., 58, 2015
3LMM
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BU of 3lmm by Molmil
Crystal Structure of the DIP2311 protein from Corynebacterium diphtheriae, Northeast Structural Genomics Consortium Target CdR35
Descriptor: CHLORIDE ION, COBALT (II) ION, Uncharacterized protein
Authors:Forouhar, F, Lew, S, Seetharaman, J, Mao, M, Xiao, R, Ciccosanti, C, Buchwald, W.A, Maglaqui, M, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2010-01-31
Release date:2010-02-16
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (3 Å)
Cite:Northeast Structural Genomics Consortium Target CdR35
To be Published
5A0E
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BU of 5a0e by Molmil
Crystal structure of cyclophilin D in complex with CsA analogue, JW47.
Descriptor: JW47, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE F, MITOCHONDRIAL
Authors:Warne, J, Pryce, G, Hill, J, Shi, X, Lenneras, F, Puentes, F, Kip, M, Hilditch, L, Walker, P, Simone, M, Chan, A.W.E, Towers, G, Coker, A.R, Duchen, M, Szabadkai, G, Baker, D, Selwood, D.L.
Deposit date:2015-04-19
Release date:2015-12-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Selective Inhibition of the Mitochondrial Permeability Transition Pore Protects Against Neuro-Degeneration in Experimental Multiple Sclerosis.
J.Biol.Chem., 291, 2016
3LV4
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BU of 3lv4 by Molmil
Crystal structure of the glycoside hydrolase, family 43 YxiA protein from Bacillus licheniformis. Northeast Structural Genomics Consortium Target BiR14.
Descriptor: ACETATE ION, CALCIUM ION, Glycoside hydrolase YxiA
Authors:Vorobiev, S, Abashidze, M, Seetharaman, J, Belote, R.L, Ciccosanti, C, Sahdev, S, Xiao, R, Acton, T.B, Everett, J.K, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2010-02-19
Release date:2010-03-09
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.695 Å)
Cite:Crystal structure of the glycoside hydrolase, family 43 YxiA protein from Bacillus licheniformis.
To be Published
4ZXK
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BU of 4zxk by Molmil
Carbohydrate binding domain from Streptococcus pneumoniae NanA sialidase
Descriptor: Sialidase A
Authors:Yang, L, Connaris, H, Potter, J.A, Taylor, G.L.
Deposit date:2015-05-20
Release date:2015-05-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Carbohydrate binding domain from Streptococcus pneumoniae NanA sialidase
To Be Published
4ZWV
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BU of 4zwv by Molmil
Crystal Structure of Aminotransferase AtmS13 from Actinomadura melliaura
Descriptor: GLYCEROL, Putative aminotransferase
Authors:Kim, Y, Bigelow, L, Endres, M, Wang, F, Phillips Jr, G.N, Joachimiak, A, Enzyme Discovery for Natural Product Biosynthesis (NatPro), Midwest Center for Structural Genomics (MCSG)
Deposit date:2015-05-19
Release date:2015-06-03
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (1.503 Å)
Cite:Structural characterization of AtmS13, a putative sugar aminotransferase involved in indolocarbazole AT2433 aminopentose biosynthesis.
Proteins, 83, 2015
3LZ8
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BU of 3lz8 by Molmil
Structure of a putative chaperone dnaj from klebsiella pneumoniae subsp. pneumoniae mgh 78578 at 2.9 a resolution.
Descriptor: Putative chaperone DnaJ
Authors:Filippova, E.V, Minasov, G, Shuvalova, L, Kiryukhina, O, Bearden, J, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG)
Deposit date:2010-03-01
Release date:2010-03-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of a Putative Chaperone Dnaj from Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 at 2.9 A Resolution.
To be Published
5A5A
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BU of 5a5a by Molmil
The structure of GH101 E796Q mutant from Streptococcus pneumoniae TIGR4 in complex with PNP-T-antigen
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CITRIC ACID, ...
Authors:Gregg, K.J, Suits, M.D.L, Deng, L, Vocadlo, D.J, Boraston, A.B.
Deposit date:2015-06-16
Release date:2015-09-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural Analysis of a Family 101 Glycoside Hydrolase in Complex with Carbohydrates Reveals Insights Into its Mechanism.
J.Biol.Chem., 290, 2015
3LZ9
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BU of 3lz9 by Molmil
The Crystal Structure of 5-epi-aristolochene synthase M4 mutant complexed with (2-trans,6-trans)-2-fluorofarnesyl diphosphate
Descriptor: (2Z,6E)-2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate, Aristolochene synthase, MAGNESIUM ION
Authors:Noel, J.P, Dellas, N, Faraldos, J.A, Zhao, M, Hess Jr, B.A, Smentek, L, Coates, R.M, O'Maille, P.E.
Deposit date:2010-03-01
Release date:2010-04-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Structural elucidation of cisoid and transoid cyclization pathways of a sesquiterpene synthase using 2-fluorofarnesyl diphosphates.
Acs Chem.Biol., 5, 2010
3LXM
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BU of 3lxm by Molmil
2.00 Angstrom resolution crystal structure of a catalytic subunit of an aspartate carbamoyltransferase (pyrB) from Yersinia pestis CO92
Descriptor: Aspartate carbamoyltransferase, TETRAETHYLENE GLYCOL
Authors:Halavaty, A.S, Minasov, G, Dubrovska, I, Winsor, J, Shuvalova, L, Peterson, S, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2010-02-25
Release date:2010-03-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:2.00 Angstrom resolution crystal structure of a catalytic subunit of an aspartate carbamoyltransferase (pyrB) from Yersinia pestis CO92
To be Published
3LUY
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BU of 3luy by Molmil
Putative chorismate mutase from Bifidobacterium adolescentis
Descriptor: 3-PHENYLPYRUVIC ACID, Probable chorismate mutase
Authors:Osipiuk, J, Bigelow, L, Bearden, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2010-02-18
Release date:2010-03-09
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray crystal structure of putative chorismate mutase from Bifidobacterium adolescentis.
To be Published
3LV8
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BU of 3lv8 by Molmil
1.8 Angstrom resolution crystal structure of a thymidylate kinase (tmk) from Vibrio cholerae O1 biovar eltor str. N16961 in complex with TMP, thymidine-5'-diphosphate and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, CHLORIDE ION, ...
Authors:Halavaty, A.S, Minasov, G, Dubrovska, I, Winsor, J, Shuvalova, L, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2010-02-19
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:1.8 Angstrom resolution crystal structure of a thymidylate kinase (tmk) from Vibrio cholerae O1 biovar eltor str. N16961 in complex with TMP, thymidine-5'-diphosphate and ADP
To be Published
5ADS
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BU of 5ads by Molmil
Crystal structure of human tankyrase 2 in complex with OD39
Descriptor: BICARBONATE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Haikarainen, T, Lehtio, L.
Deposit date:2015-08-24
Release date:2016-01-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Development and Structural Analysis of Adenosine Site Binding Tankyrase Inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
3LXX
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BU of 3lxx by Molmil
Crystal structure of human GTPase IMAP family member 4
Descriptor: GTPase IMAP family member 4, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Shen, Y, Nedyalkova, L, Tong, Y, Tempel, W, Mackenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Andrews, D.W, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2010-02-25
Release date:2010-03-09
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure of human GTPase IMAP family member 4
to be published
3LYU
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BU of 3lyu by Molmil
Crystal Structure of the C-terminal domain (residues 83-215) of PF1911 hydrogenase from Pyrococcus furiosus, Northeast Structural Genomics Consortium Target PfR246A
Descriptor: Putative hydrogenase
Authors:Forouhar, F, Abashidze, M, Seetharaman, J, Sahdev, S, Xiao, R, Foote, E.L, Ciccosanti, C, Belote, R.L, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2010-02-28
Release date:2010-03-23
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Northeast Structural Genomics Consortium Target PfR246A
To be Published
3LYS
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BU of 3lys by Molmil
Crystal Structure of the N-terminal domain of the Prophage pi2 protein 01 (integrase) from Lactococcus lactis, Northeast Structural Genomics Consortium Target KR124F
Descriptor: Prophage pi2 protein 01, integrase
Authors:Forouhar, F, Abashidze, M, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Belote, R.L, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2010-02-28
Release date:2010-03-16
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Northeast Structural Genomics Consortium Target KR124F
To be Published
5A8F
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BU of 5a8f by Molmil
Structure and genome release mechanism of human cardiovirus Saffold virus-3
Descriptor: GENOME POLYPHUMAN SAFFOLD VIRUS-3 VP3 PROTEIN, HUMAN SAFFOLD VIRUS-3 VP1, HUMAN SAFFOLD VIRUS-3 VP2
Authors:Mullapudi, E, Novacek, J, Palkova, L, Kulich, P, Lindberg, M, vanKuppeveld, F.J.M, Plevka, P.
Deposit date:2015-07-15
Release date:2016-06-08
Last modified:2019-10-30
Method:ELECTRON MICROSCOPY (10.6 Å)
Cite:Structure and Genome Release Mechanism of Human Cardiovirus Saffold Virus-3.
J.Virol., 90, 2016
5A92
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BU of 5a92 by Molmil
15K X-ray structure with Cefotaxime: Exploring the Mechanism of beta- Lactam Ring Protonation in the Class A beta-lactamase Acylation Mechanism Using Neutron and X-ray Crystallography
Descriptor: BETA-LACTAMASE CTX-M-97, CEFOTAXIME, C3' cleaved, ...
Authors:Vandavasi, V.G, Weiss, K.L, Cooper, J.B, Erskine, P.T, Tomanicek, S.J, Ostermann, A, Schrader, T.E, Ginell, S.L, Coates, L.
Deposit date:2015-07-17
Release date:2015-12-16
Last modified:2018-10-03
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Exploring the Mechanism of Beta-Lactam Ring Protonation in the Class a Beta-Lactamase Acylation Mechanism Using Neutron and X-Ray Crystallography.
J.Med.Chem., 59, 2016
5A4V
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BU of 5a4v by Molmil
AtGSTF2 from Arabidopsis thaliana in complex with quercetin
Descriptor: 3,5,7,3',4'-PENTAHYDROXYFLAVONE, ACETATE ION, GLUTATHIONE S-TRANSFERASE F2
Authors:Ahmad, L, Rylott, E, Bruce, N.C, Edwards, R, Grogan, G.
Deposit date:2015-06-15
Release date:2016-06-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Structural evidence for Arabidopsis glutathione transferase AtGSTF2 functioning as a transporter of small organic ligands.
FEBS Open Bio, 7, 2017
5A56
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BU of 5a56 by Molmil
The structure of GH101 from Streptococcus pneumoniae TIGR4 in complex with 1-O-methyl-T-antigen
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CITRIC ACID, ...
Authors:Gregg, K.J, Suits, M.D.L, Deng, L, Vocadlo, D.J, Boraston, A.B.
Deposit date:2015-06-16
Release date:2015-09-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Analysis of a Family 101 Glycoside Hydrolase in Complex with Carbohydrates Reveals Insights into Its Mechanism.
J.Biol.Chem., 290, 2015
5A7I
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BU of 5a7i by Molmil
Crystal structure of INPP5B in complex with biphenyl 3,3',4,4',5,5'- hexakisphosphate
Descriptor: Biphenyl 3,3',4,4',5,5'-hexakisphosphate, CHLORIDE ION, GLYCEROL, ...
Authors:Tresaugues, L, Mills, S.J, Silvander, C, Cozier, G, Potter, B.V.L, Norldund, P.
Deposit date:2015-07-06
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Crystal Structures of Type-II Inositol Polyphosphate 5-Phosphatase Inpp5B with Synthetic Inositol Polyphosphate Surrogates Reveal New Mechanistic Insights for the Inositol 5-Phosphatase Family.
Biochemistry, 55, 2016
3M3Q
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BU of 3m3q by Molmil
Crystal Structure of Agrocybe aegerita lectin AAL complexed with Ganglosides GM1 pentasaccharide
Descriptor: Anti-tumor lectin, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-[N-acetyl-alpha-neuraminic acid-(2-3)]beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Feng, L, Li, D, Wang, D.
Deposit date:2010-03-09
Release date:2010-12-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural insights into the recognition mechanism between an antitumor galectin AAL and the Thomsen-Friedenreich antigen
Faseb J., 24, 2010
5A63
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BU of 5a63 by Molmil
Cryo-EM structure of the human gamma-secretase complex at 3.4 angstrom resolution.
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Bai, X, Yan, C, Yang, G, Lu, P, Ma, D, Sun, L, Zhou, R, Scheres, S.H.W, Shi, Y.
Deposit date:2015-06-24
Release date:2015-08-05
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:An Atomic Structure of Human Gamma-Secretase
Nature, 525, 2015
5ABB
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BU of 5abb by Molmil
Visualization of a polytopic membrane protein during SecY-mediated membrane insertion
Descriptor: GREEN-LIGHT ABSORBING PROTEORHODOPSIN, PROTEIN TRANSLOCASE SUBUNIT SECE, PROTEIN TRANSLOCASE SUBUNIT SECY
Authors:Bischoff, L, Wickles, S, Berninghausen, O, vanderSluis, E, Beckmann, R.
Deposit date:2015-08-05
Release date:2015-08-19
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (8 Å)
Cite:Visualization of a Polytopic Membrane Protein During Secy-Mediated Membrane Insertion.
Nat.Commun., 5, 2014

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