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6DR3
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BU of 6dr3 by Molmil
Crystal structure of E. coli LpoA amino terminal domain
Descriptor: Penicillin-binding protein activator LpoA
Authors:Kelley, A.C, Saper, M.A.
Deposit date:2018-06-11
Release date:2019-05-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:Crystal structures of the amino-terminal domain of LpoA from Escherichia coli and Haemophilus influenzae.
Acta Crystallogr.,Sect.F, 75, 2019
5CSU
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BU of 5csu by Molmil
Disproportionating enzyme 1 from Arabidopsis - acarviostatin soak
Descriptor: 1,2-ETHANEDIOL, 4-alpha-glucanotransferase DPE1, chloroplastic/amyloplastic, ...
Authors:O'Neill, E.C, Stevenson, C.E.M, Tantanarat, K, Latousakis, D, Donaldson, M.I, Rejzek, M, Limpaseni, T, Smith, A.M, Field, R.A, Lawson, D.M.
Deposit date:2015-07-23
Release date:2015-11-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Structural Dissection of the Maltodextrin Disproportionation Cycle of the Arabidopsis Plastidial Disproportionating Enzyme 1 (DPE1).
J.Biol.Chem., 290, 2015
3HA2
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BU of 3ha2 by Molmil
Crystal Structure of Protein (NADPH-quinone reductase) from P.pentosaceus, Northeast Structural Genomics Consortium Target PtR24A
Descriptor: DI(HYDROXYETHYL)ETHER, NADPH-quinone reductase, SULFATE ION
Authors:Kuzin, A, Su, M, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, 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:2009-04-30
Release date:2009-05-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Northeast Structural Genomics Consortium Target PtR24A
To be Published
2G00
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BU of 2g00 by Molmil
Factor Xa in complex with the inhibitor 3-(6-(2'-((dimethylamino)methyl)-4-biphenylyl)-7-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-1-yl)benzamide
Descriptor: 3-[6-{2'-[(DIMETHYLAMINO)METHYL]BIPHENYL-4-YL}-7-OXO-3-(TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[3,4-C]PYRIDIN-1-YL]BENZAMIDE, Coagulation factor X
Authors:Alexander, R.S.
Deposit date:2006-02-10
Release date:2006-10-03
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of potent, efficacious, and orally bioavailable inhibitors of blood coagulation factor Xa with neutral P1 moieties.
Bioorg.Med.Chem.Lett., 16, 2006
6DTM
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BU of 6dtm by Molmil
Crystal Structure of Helicobacter pylori TlpA Chemoreceptor Ligand Binding Domain
Descriptor: CHLORIDE ION, Methyl-accepting chemotaxis protein TlpA
Authors:Remington, S.J, Guillemin, K, Sweeney, E, Perkins, A.
Deposit date:2018-06-17
Release date:2018-09-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of the ligand-binding domain of Helicobacter pylori chemoreceptor TlpA.
Protein Sci., 27, 2018
6QDW
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BU of 6qdw by Molmil
Cryo-EM structure of the 50S ribosomal subunit at 2.83 Angstroms with modeled GBC SecM peptide
Descriptor: 23S rRNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ...
Authors:Schulte, L, Reitz, J, Hodirnau, V.V, Kudlinzki, D, Mao, J, Glaubitz, C, Frangakis, A, Schwalbe, H.
Deposit date:2019-01-03
Release date:2020-01-15
Last modified:2020-12-02
Method:ELECTRON MICROSCOPY (2.83 Å)
Cite:Cysteine oxidation and disulfide formation in the ribosomal exit tunnel.
Nat Commun, 11, 2020
6QGI
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BU of 6qgi by Molmil
Crystal structure of VP5 from Haloarchaeal pleomorphic virus 2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, VP5
Authors:El Omari, K, Walter, T.S, Harlos, K, Grimes, J.M, Stuart, D.I, Roine, E.
Deposit date:2019-01-11
Release date:2019-02-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:The structure of a prokaryotic viral envelope protein expands the landscape of membrane fusion proteins.
Nat Commun, 10, 2019
3HB7
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BU of 3hb7 by Molmil
The Crystal Structure of an Isochorismatase-like Hydrolase from Alkaliphilus metalliredigens to 2.3A
Descriptor: AMMONIUM ION, Isochorismatase hydrolase, SODIUM ION
Authors:Stein, A.J, Xu, X, Cui, H, Ng, J, Edwards, A, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2009-05-04
Release date:2009-07-07
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Crystal Structure of an Isochorismatase-like Hydrolase from Alkaliphilus metalliredigens to 2.3A
To be Published
6QID
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BU of 6qid by Molmil
Crystal structure of DEAH-box ATPase Prp43-S387A
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, ...
Authors:Hamann, F, Ficner, R, Enders, M.
Deposit date:2019-01-18
Release date:2019-03-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.204 Å)
Cite:Structural basis for RNA translocation by DEAH-box ATPases.
Nucleic Acids Res., 47, 2019
6QGM
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BU of 6qgm by Molmil
VirX1 apo structure
Descriptor: VirX1
Authors:Gkotsi, D.S, Ludewig, H, Sharma, S.V, Unsworth, W.P, Taylor, R.J.K, McLachlan, M.M.W, Shanahan, S, Naismith, J.H, Goss, R.J.M.
Deposit date:2019-01-11
Release date:2019-10-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:A marine viral halogenase that iodinates diverse substrates.
Nat.Chem., 11, 2019
4OIL
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BU of 4oil by Molmil
Crystal structure of T877A-AR-LBD bound with co-regulator peptide
Descriptor: Androgen receptor, HYDROXYFLUTAMIDE, co-regulator peptide
Authors:Liu, J.S, Hsu, C.L, Wu, W.G.
Deposit date:2014-01-19
Release date:2014-08-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Identification of a new androgen receptor (AR) co-regulator BUD31 and related peptides to suppress wild-type and mutated AR-mediated prostate cancer growth via peptide screening and X-ray structure analysis.
Mol Oncol, 8, 2014
6QFQ
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BU of 6qfq by Molmil
Structure of human Mcl-1 in complex with indole acid inhibitor
Descriptor: 7-(3,5-dimethyl-1~{H}-pyrazol-4-yl)-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E.
Deposit date:2019-01-10
Release date:2019-06-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
3GT0
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BU of 3gt0 by Molmil
Crystal structure of pyrroline 5-carboxylate reductase from Bacillus cereus. Northeast Structural Genomics Consortium Target BcR38B
Descriptor: Pyrroline-5-carboxylate reductase
Authors:Kuzin, A.P, Abashidze, M, Seetharaman, J, Shastry, R, Fang, Y, Cunningham, K, Ma, L.-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:2009-03-27
Release date:2009-04-21
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Northeast Structural Genomics Consortium Target BcR38B
To be published
3GW4
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BU of 3gw4 by Molmil
Crystal structure of uncharacterized protein from Deinococcus radiodurans. Northeast Structural Genomics Consortium Target DrR162B.
Descriptor: Uncharacterized protein
Authors:Kuzin, A.P, Abashidze, M, Seetharaman, J, Sahdev, S, Xiao, R, Foote, E.L, Ciccosanti, C, Wang, H, 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:2009-03-31
Release date:2009-04-21
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Northeast Structural Genomics Consortium Target DrR162B
To be published
6QG8
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BU of 6qg8 by Molmil
Structure of human Bcl-2 in complex with PUMA BH3 peptide
Descriptor: Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Bcl-2-like protein 1, Bcl-2-binding component 3
Authors:Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E.
Deposit date:2019-01-10
Release date:2019-06-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
6DB6
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BU of 6db6 by Molmil
Crystal structure of anti-HIV-1 V3 Fab 311-11D in complex with a HIV-1 gp120 V3 peptide from MN strain
Descriptor: HIV-1 gp120 V3 peptide from MN strain, Human monoclonal anti-HIV-1 gp120 V3 antibody 311-11D Fab heavy chain, Human monoclonal anti-HIV-1 gp120 V3 antibody 311-11D Fab light chain, ...
Authors:Chan, K.-W, Kong, X.-P.
Deposit date:2018-05-02
Release date:2018-07-11
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.978 Å)
Cite:Structural Comparison of Human Anti-HIV-1 gp120 V3 Monoclonal Antibodies of the Same Gene Usage Induced by Vaccination and Chronic Infection.
J. Virol., 92, 2018
3GWT
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BU of 3gwt by Molmil
Catalytic domain of human phosphodiesterase 4B2B in complex with a quinoline inhibitor
Descriptor: 6-{[3-(dimethylcarbamoyl)phenyl]sulfonyl}-4-[(3-methoxyphenyl)amino]-8-methylquinoline-3-carboxamide, ARSENIC, GLYCEROL, ...
Authors:Somers, D.O, Neu, M.
Deposit date:2009-04-01
Release date:2010-04-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Quinolines as a novel structural class of potent and selective PDE4 inhibitors. Optimisation for inhaled administration.
Bioorg.Med.Chem.Lett., 19, 2009
4FCK
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BU of 4fck by Molmil
Crystal Structure of the Co2+2-Human Arginase I-AGPA Complex
Descriptor: 2-AMINO-3-GUANIDINO-PROPIONIC ACID, Arginase-1, COBALT (II) ION
Authors:D'Antonio, E.L, Christianson, D.W.
Deposit date:2012-05-25
Release date:2012-06-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Binding of the unreactive substrate analog L-2-amino-3-guanidinopropionic acid (dinor-L-arginine) to human arginase I.
Acta Crystallogr.,Sect.F, 68, 2012
1MM7
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BU of 1mm7 by Molmil
Crystal Structure of the GluR2 Ligand Binding Core (S1S2J) in Complex with Quisqualate in a Zinc Crystal Form at 1.65 Angstroms Resolution
Descriptor: (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, GLUTAMATE RECEPTOR 2, ZINC ION
Authors:Jin, R, Horning, M, Mayer, M.L, Gouaux, E.
Deposit date:2002-09-03
Release date:2003-02-04
Last modified:2017-08-02
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Mechanism of Activation and Selectivity in a Ligand-Gated Ion Channel: Structural and Functional Studies of GluR2 and Quisqualate
Biochemistry, 41, 2003
1M5E
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BU of 1m5e by Molmil
X-RAY STRUCTURE OF THE GLUR2 LIGAND BINDING CORE (S1S2J) IN COMPLEX WITH ACPA AT 1.46 A RESOLUTION
Descriptor: (S)-2-AMINO-3-(3-CARBOXY-5-METHYLISOXAZOL-4-YL)PROPIONIC ACID, ACETATE ION, Glutamate receptor 2, ...
Authors:Hogner, A, Kastrup, J.S, Jin, R, Liljefors, T, Mayer, M.L, Egebjerg, J, Larsen, I.K, Gouaux, E.
Deposit date:2002-07-09
Release date:2002-09-18
Last modified:2017-08-16
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Structural Basis for AMPA Receptor Activation and Ligand Selectivity: Crystal Structures of Five Agonist Complexes with the GluR2 Ligand-binding Core
J.Mol.Biol., 322, 2002
2FS4
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BU of 2fs4 by Molmil
Ketopiperazine-Based Renin Inhibitors: Optimization of the C ring
Descriptor: (6R)-6-({[1-(3-HYDROXYPROPYL)-1,7-DIHYDROQUINOLIN-7-YL]OXY}METHYL)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)PIPERAZIN-2-ONE, Renin
Authors:Holsworth, D.D, Cai, C, Cheng, X.-M, Cody, W.L, Downing, D.M, Erasga, N, Lee, C, Powell, N.A, Edmunds, J.J, Stier, M, Jalaie, M, Zhang, E, McConnell, P, Ryan, M.J, Bryant, J, Li, T, Kasani, A, Hall, E, Subedi, R, Rahim, M, Maiti, S.
Deposit date:2006-01-20
Release date:2006-06-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring
BIOORG.MED.CHEM.LETT., 16, 2006
6DCQ
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BU of 6dcq by Molmil
Ectodomain of full length, wild type HIV-1 glycoprotein clone PC64M18C043 in complex with PGT151 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)]alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Rantalainen, K.
Deposit date:2018-05-08
Release date:2018-06-27
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Co-evolution of HIV Envelope and Apex-Targeting Neutralizing Antibody Lineage Provides Benchmarks for Vaccine Design.
Cell Rep, 23, 2018
4OKW
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BU of 4okw by Molmil
Crystal structure of W741L-AR-LBD bound with co-regulator peptide
Descriptor: Androgen receptor, R-BICALUTAMIDE, co-regulator peptide
Authors:Liu, J.S, Hsu, C.L, Wu, W.G.
Deposit date:2014-01-23
Release date:2014-08-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification of a new androgen receptor (AR) co-regulator BUD31 and related peptides to suppress wild-type and mutated AR-mediated prostate cancer growth via peptide screening and X-ray structure analysis.
Mol Oncol, 8, 2014
6QJA
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BU of 6qja by Molmil
Organizational principles of the NuMA-Dynein interaction interface and implications for mitotic spindle functions
Descriptor: CHLORIDE ION, MAGNESIUM ION, Nuclear mitotic apparatus protein 1
Authors:Renna, C, Rizzelli, F, Carminati, M, Gaddoni, C, Pirovano, L, Cecatiello, V, Pasqualato, S, Mapelli, M.
Deposit date:2019-01-23
Release date:2020-02-05
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Organizational Principles of the NuMA-Dynein Interaction Interface and Implications for Mitotic Spindle Functions.
Structure, 28, 2020
6D60
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BU of 6d60 by Molmil
Crystal structure of 3-hydroxyanthranilate-3,4-dioxygenase I142P from Cupriavidus metallidurans
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-hydroxyanthranilate 3,4-dioxygenase, FE (II) ION
Authors:Yang, Y, Liu, F, Liu, A.
Deposit date:2018-04-19
Release date:2018-06-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Adapting to oxygen: 3-Hydroxyanthrinilate 3,4-dioxygenase employs loop dynamics to accommodate two substrates with disparate polarities.
J. Biol. Chem., 293, 2018

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