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4NU6
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Crystal Structure of PTDH R301K
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Phosphonate dehydrogenase, SULFATE ION
Authors:Nair, S.K, Chekan, J.R.
Deposit date:2013-12-03
Release date:2014-03-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Chemical rescue and inhibition studies to determine the role of arg301 in phosphite dehydrogenase.
Plos One, 9, 2014
4F2G
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The Crystal Structure of Ornithine carbamoyltransferase from Burkholderia thailandensis E264
Descriptor: 1,2-ETHANEDIOL, Ornithine carbamoyltransferase 1, PHOSPHATE ION
Authors:Craig, T.K, Fox, D, Staker, B, Stewart, L, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-05-07
Release date:2012-05-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
4NWR
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Computationally Designed Two-Component Self-Assembling Tetrahedral Cage T33-28
Descriptor: Macrophage migration inhibitory factor-like protein, integron gene cassette protein
Authors:McNamara, D.E, King, N.P, Bale, J.B, Sheffler, W, Baker, D, Yeates, T.O.
Deposit date:2013-12-06
Release date:2014-05-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Accurate design of co-assembling multi-component protein nanomaterials.
Nature, 510, 2014
4NVI
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BU of 4nvi by Molmil
Predicting protein conformational response in prospective ligand discovery.
Descriptor: 3-bromoquinolin-4-amine, Cytochrome c peroxidase, PHOSPHATE ION, ...
Authors:Fischer, M, Fraser, J.S.
Deposit date:2013-12-05
Release date:2013-12-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
4NWO
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Computationally Designed Two-Component Self-Assembling Tetrahedral Cage T33-15
Descriptor: CALCIUM ION, Chorismate mutase AroH, Molybdenum cofactor biosynthesis protein MogA
Authors:McNamara, D.E, King, N.P, Bale, J.B, Sheffler, W, Baker, D, Yeates, T.O.
Deposit date:2013-12-06
Release date:2014-05-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Accurate design of co-assembling multi-component protein nanomaterials.
Nature, 510, 2014
4F47
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The Structure of Enoyl-CoA hydratase EchA19 from Mycobacterium marinum
Descriptor: Enoyl-CoA hydratase EchA19
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-05-10
Release date:2012-05-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
4O45
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BU of 4o45 by Molmil
WDR5 in complex with influenza NS1 C-terminal tail
Descriptor: Nonstructural protein 1, UNKNOWN ATOM OR ION, WD repeat-containing protein 5
Authors:Qin, S, Xu, C, Tempel, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2013-12-18
Release date:2014-04-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structural basis for histone mimicry and hijacking of host proteins by influenza virus protein NS1.
Nat Commun, 5, 2014
4O64
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Zinc fingers of KDM2B
Descriptor: Lysine-specific demethylase 2B, UNKNOWN ATOM OR ION, ZINC ION
Authors:Liu, K, Xu, C, Tempel, W, Walker, J.R, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2013-12-20
Release date:2014-04-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:DNA Sequence Recognition of Human CXXC Domains and Their Structural Determinants.
Structure, 26, 2018
4F49
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2.25A resolution structure of Transmissible Gastroenteritis Virus Protease containing a covalently bound Dipeptidyl Inhibitor
Descriptor: (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, TETRAETHYLENE GLYCOL
Authors:Lovell, S, Battaile, K.P, Kim, Y, Tiew, K.-C, Mandadapu, S.R, Alliston, K.R, Groutas, W.C, Chang, K.-O.
Deposit date:2012-05-10
Release date:2012-09-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Broad-Spectrum Antivirals against 3C or 3C-Like Proteases of Picornaviruses, Noroviruses, and Coronaviruses.
J.Virol., 86, 2012
4F76
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Crystal Structure of the active HIV-1 Protease in Complex with the products of p1-p6 substrate
Descriptor: C terminal product of substrate p1-p6, N terminal product of substrate p1-p6, Protease
Authors:Schiffer, C.A, Nalam, M.N.L, Mittal, S.
Deposit date:2012-05-15
Release date:2013-05-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of the active HIV-1 Protease in Complex with the products of p1-p6 substrate
To be Published
4NTI
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BU of 4nti by Molmil
Crystal structure of D60N mutant of Arabidopsis ACD11 (accelerated-cell-death 11) complexed with C12 ceramide-1-phosphate (d18:1/12:0) at 2.9 Angstrom resolution
Descriptor: (2S,3R,4E)-2-(dodecanoylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, DI(HYDROXYETHYL)ETHER, accelerated-cell-death 11
Authors:Simanshu, D.K, Brown, R.E, Patel, D.J.
Deposit date:2013-12-02
Release date:2014-02-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.899 Å)
Cite:Arabidopsis Accelerated Cell Death 11, ACD11, Is a Ceramide-1-Phosphate Transfer Protein and Intermediary Regulator of Phytoceramide Levels.
Cell Rep, 6, 2014
4F7V
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Crystal structure of E. coli HPPK in complex with bisubstrate analogue inhibitor J1D (HP26)
Descriptor: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-{[2-({N-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)carbonyl]glycyl}amino)ethyl]sulfonyl}-5'-deoxyadenosine
Authors:Shaw, G, Shi, G, Ji, X.
Deposit date:2012-05-16
Release date:2012-07-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Bisubstrate analog inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: New lead exhibits a distinct binding mode.
Bioorg.Med.Chem., 20, 2012
4NWC
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Crystal structure of the GluK3 ligand-binding domain (S1S2) in complex with the agonist (2S,4R)-4-(3-Methoxy-3-oxopropyl)glutamic acid at 2.01 A resolution.
Descriptor: (2S,4R)-4-(3-Methoxy-3-oxopropyl) glutamic acid, CHLORIDE ION, Glutamate receptor ionotropic, ...
Authors:Larsen, A.P, Venskutonyte, R, Frydenvang, K, Gajhede, M, Kastrup, J.S.
Deposit date:2013-12-06
Release date:2014-08-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.012 Å)
Cite:Molecular Recognition of Two 2,4-syn-Functionalized (S)-Glutamate Analogues by the Kainate Receptor GluK3 Ligand Binding Domain.
Chemmedchem, 9, 2014
4O5X
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O6-carboxymethylguanine in DNA forms a sequence context dependent wobble base pair structure with thymine.
Descriptor: 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*(C6G)P*AP*AP*TP*TP*TP*GP*CP*G)-3'), MAGNESIUM ION
Authors:Zhang, F, Tsunoda, M, Suzuki, K, Kikuchi, Y, Wilkinson, O, Millington, C.L, Margison, G.P, Williams, D.M, Takenaka, A.
Deposit date:2013-12-20
Release date:2014-07-02
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:O(6)-Carboxymethylguanine in DNA forms a sequence context-dependent wobble base-pair structure with thymine
Acta Crystallogr.,Sect.D, 70, 2014
4F36
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BU of 4f36 by Molmil
Crystal structure of Nucleoside diphosphate kinase B from Trypanosoma brucei, apo form
Descriptor: Nucleoside diphosphate kinase, THIOCYANATE ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-05-08
Release date:2012-05-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of Nucleoside diphosphate kinase B from Trypanosoma brucei, apo form
To be Published
4F3X
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BU of 4f3x by Molmil
Crystal structure of putative aldehyde dehydrogenase from Sinorhizobium meliloti 1021 complexed with NAD
Descriptor: GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative aldehyde dehydrogenase
Authors:Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Zenchek, W, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2012-05-09
Release date:2012-05-30
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Crystal structure of putative aldehyde dehydrogenase from Sinorhizobium meliloti 1021 complexed with NAD
To be Published
4FFW
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BU of 4ffw by Molmil
Crystal Structure of Dipeptidyl Peptidase IV (DPP4, DPP-IV, CD26) in Complex with Fab + sitagliptin
Descriptor: (2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-A MINE, Dipeptidyl peptidase 4, Fab heavy chain, ...
Authors:Wang, Z, Sudom, A, Walker, N.P, Min, X.
Deposit date:2012-06-01
Release date:2012-12-12
Last modified:2021-05-19
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:An Inhibitory Antibody Against DPP IV Improves Glucose Tolerance in vivo - Validation of Large Molecule Approach for DPP IV Inhibition
To be published
4F82
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X-ray crystal structure of a putative thioredoxin reductase from Burkholderia cenocepacia
Descriptor: Thioredoxin Reductase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-05-16
Release date:2012-06-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:X-ray crystal structure of a putative thioredoxin reductase from Burkholderia cenocepacia
TO BE PUBLISHED
3LN7
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BU of 3ln7 by Molmil
Crystal structure of a bifunctional glutathione synthetase from Pasteurella multocida
Descriptor: Glutathione biosynthesis bifunctional protein gshAB
Authors:Stout, J, Vergauwen, B, Savvides, S.N.
Deposit date:2010-02-02
Release date:2011-04-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structures of two bifunctional gamma-Glutamate-cysteine Ligase/Glutathione synthetases (GshF) reveal a novel hybrid ATP-grasp fold
To be Published
3LH1
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BU of 3lh1 by Molmil
Q191A mutant of the DegS-deltaPDZ
Descriptor: Protease degS
Authors:Sohn, J, Grant, R.A, Sauer, R.T.
Deposit date:2010-01-21
Release date:2010-08-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.507 Å)
Cite:Allostery is an intrinsic property of the protease domain of DegS: implications for enzyme function and evolution.
J.Biol.Chem., 285, 2010
3LV0
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BU of 3lv0 by Molmil
Crystal structure of extragenic suppressor protein suhB from Bartonella henselae, native
Descriptor: Extragenic suppressor protein suhB, MAGNESIUM ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2010-02-18
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of extragenic suppressor protein suhB from Bartonella henselae
To be Published
3L6D
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BU of 3l6d by Molmil
Crystal structure of putative oxidoreductase from Pseudomonas putida KT2440
Descriptor: Putative oxidoreductase
Authors:Malashkevich, V.N, Patskovsky, Y, Toro, R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2009-12-23
Release date:2010-01-12
Last modified:2021-02-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of putative oxidoreductase from Pseudomonas putida KT2440
To be Published
3L6Y
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BU of 3l6y by Molmil
Crystal structure of p120 catenin in complex with E-cadherin
Descriptor: Catenin delta-1, E-cadherin
Authors:Ishiyama, N, Lee, S.-H, Liu, S, Li, G.-Y, Smith, M.J, Reichardt, L.F, Ikura, M.
Deposit date:2009-12-27
Release date:2010-04-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:Dynamic and static interactions between p120 catenin and E-cadherin regulate the stability of cell-cell adhesion.
Cell(Cambridge,Mass.), 141, 2010
3LX5
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Crystal structure of mGMPPNP-bound NFeoB from S. thermophilus
Descriptor: 2-amino-9-(5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-3-O-{[2-(methylamino)phenyl]carbonyl}-beta-D-erythro-pentofuranosyl-2-ulose)-1,9-dihydro-6H-purin-6-one, Ferrous iron uptake transporter protein B, GLYCEROL, ...
Authors:Ash, M.R, Guilfoyle, A, Maher, M.J, Clarke, R.J, Guss, J.M, Jormakka, M.
Deposit date:2010-02-24
Release date:2010-03-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Potassium-activated GTPase reaction in the G Protein-coupled ferrous iron transporter B.
J.Biol.Chem., 285, 2010
3L81
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Crystal structure of adaptor protein complex 4 (AP-4) mu4 subunit C-terminal domain, in complex with a sorting peptide from the amyloid precursor protein (APP)
Descriptor: AP-4 complex subunit mu-1, Amyloid beta A4 protein, GLYCEROL
Authors:Mardones, G.A, Rojas, A.L, Burgos, P.V, Dasilva, L.L.P, Prabhu, Y, Bonifacino, J.S, Hurley, J.H.
Deposit date:2009-12-29
Release date:2010-06-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Sorting of the Alzheimer's disease amyloid precursor protein mediated by the AP-4 complex.
Dev.Cell, 18, 2010

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