4JV0
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![BU of 4jv0 by Molmil](/molmil-images/mine/4jv0) | Ring-Opening of the -OH-PdG Adduct in Ternary Complexes with the Sulfolobus solfataricus DNA polymerase Dpo4 | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*TP*CP*C)-3'), ... | Authors: | Banerjee, S, Shanmugam, G, Stone, M.P. | Deposit date: | 2013-03-25 | Release date: | 2013-08-28 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Ring-Opening of the gamma-OH-PdG Adduct Promotes Error-Free Bypass by the Sulfolobus solfataricus DNA Polymerase Dpo4. Chem.Res.Toxicol., 26, 2013
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4HEF
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![BU of 4hef by Molmil](/molmil-images/mine/4hef) | Structure of avibactam bound to Pseudomonas aeruginosa AmpC | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, GLYCEROL | Authors: | Lahiri, S.D. | Deposit date: | 2012-10-03 | Release date: | 2013-06-05 | Last modified: | 2020-09-16 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Structural Insight into Potent Broad-Spectrum Inhibition with Reversible Recyclization Mechanism: Avibactam in Complex with CTX-M-15 and Pseudomonas aeruginosa AmpC beta-Lactamases Antimicrob.Agents Chemother., 57, 2013
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4HEW
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![BU of 4hew by Molmil](/molmil-images/mine/4hew) | |
4GVW
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![BU of 4gvw by Molmil](/molmil-images/mine/4gvw) | Three-dimensional structure of the de novo designed serine hydrolase 2bfq_3, Northeast Structural Genomics Consortium (NESG) Target OR248 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETIC ACID, De novo designed serine hydrolase, ... | Authors: | Kuzin, A, Lew, S, Seetharaman, J, Rajagopalan, S, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2012-08-31 | Release date: | 2012-09-12 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.113 Å) | Cite: | Northeast Structural Genomics Consortium Target OR248 To be Published
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2QKV
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![BU of 2qkv by Molmil](/molmil-images/mine/2qkv) | |
4HEB
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![BU of 4heb by Molmil](/molmil-images/mine/4heb) | The Crystal structure of Maf protein of Bacillus subtilis | Descriptor: | Septum formation protein Maf, UNKNOWN ATOM OR ION | Authors: | Dong, A, Dombrovski, L, Brown, G, Flick, R, Tchigvintsev, D, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Iakounine, A, Min, J, Wu, H, Structural Genomics Consortium (SGC) | Deposit date: | 2012-10-03 | Release date: | 2012-10-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Biochemical and structural studies of conserved maf proteins revealed nucleotide pyrophosphatases with a preference for modified nucleotides. Chem.Biol., 20, 2013
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2R3J
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![BU of 2r3j by Molmil](/molmil-images/mine/2r3j) | Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor | Descriptor: | 3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine, Cell division protein kinase 2 | Authors: | Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S. | Deposit date: | 2007-08-29 | Release date: | 2008-01-22 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structure-guided discovery of cyclin-dependent kinase inhibitors. Biopolymers, 89, 2008
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2QSP
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![BU of 2qsp by Molmil](/molmil-images/mine/2qsp) | Bovine Hemoglobin at pH 5.7 | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Aranda IV, R, Richards, M.P, Phillips Jr, G.N. | Deposit date: | 2007-07-31 | Release date: | 2008-09-02 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural analysis of fish versus mammalian hemoglobins: Effect of the heme pocket environment on autooxidation and hemin loss. Proteins, 75, 2008
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2QTA
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![BU of 2qta by Molmil](/molmil-images/mine/2qta) | |
4HF0
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![BU of 4hf0 by Molmil](/molmil-images/mine/4hf0) | Crystal Structure of Apo IscR | Descriptor: | HTH-type transcriptional regulator IscR, SULFATE ION | Authors: | Rajagopalan, S.R, Phillips, K.J. | Deposit date: | 2012-10-04 | Release date: | 2013-05-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Studies of IscR reveal a unique mechanism for metal-dependent regulation of DNA binding specificity. Nat.Struct.Mol.Biol., 20, 2013
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4HG0
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![BU of 4hg0 by Molmil](/molmil-images/mine/4hg0) | Crystal Structure of magnesium and cobalt efflux protein CorC, Northeast Structural Genomics Consortium (NESG) Target ER40 | Descriptor: | ADENOSINE MONOPHOSPHATE, Magnesium and cobalt efflux protein CorC | Authors: | Kuzin, A, Neely, H, Seetharaman, J, Patel, P, Xiao, R, Ciccosanti, C, Cooper, B, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2012-10-05 | Release date: | 2013-02-06 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (3.102 Å) | Cite: | Northeast Structural Genomics Consortium Target ER40 To be Published
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4H0C
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![BU of 4h0c by Molmil](/molmil-images/mine/4h0c) | Crystal structure of phospholipase/Carboxylesterase from Dyadobacter fermentans DSM 18053 | Descriptor: | CITRIC ACID, GLYCEROL, Phospholipase/Carboxylesterase, ... | Authors: | Chang, C, Holowicki, J, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2012-09-07 | Release date: | 2012-09-26 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Crystal structure of phospholipase/Carboxylesterase from Dyadobacter fermentans DSM 18053 To be Published
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4JMW
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![BU of 4jmw by Molmil](/molmil-images/mine/4jmw) | |
4JCA
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![BU of 4jca by Molmil](/molmil-images/mine/4jca) | Crystal Structure of the apo form of the evolved variant of the computationally designed serine hydrolase, OSH55.4_H1. Northeast Structural Genomics Consortium (NESG) Target OR273 | Descriptor: | CITRIC ACID, RUBIDIUM ION, serine hydrolase | Authors: | Kuzin, A.P, Lew, S, Rajagopalan, S, Seetharaman, J, Tong, S, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2013-02-21 | Release date: | 2013-03-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.411 Å) | Cite: | Design of activated serine-containing catalytic triads with atomic-level accuracy. Nat.Chem.Biol., 10, 2014
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4JEM
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![BU of 4jem by Molmil](/molmil-images/mine/4jem) | Crystal structure of MilB complexed with cytidine 5'-monophosphate | Descriptor: | CMP/hydroxymethyl CMP hydrolase, CYTIDINE-5'-MONOPHOSPHATE | Authors: | Sikowitz, M.D, Cooper, L.E, Begley, T.P, Kaminski, P.A, Ealick, S.E. | Deposit date: | 2013-02-27 | Release date: | 2013-09-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.553 Å) | Cite: | Reversal of the substrate specificity of CMP N-glycosidase to dCMP. Biochemistry, 52, 2013
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1QII
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![BU of 1qii by Molmil](/molmil-images/mine/1qii) | |
4JH0
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![BU of 4jh0 by Molmil](/molmil-images/mine/4jh0) | Crystal structure of dipeptidyl-peptidase 4 (CD26, adenosine deaminase complexing protein 2) (DPP-IV-WT) complex with bms-767778 AKA 2-(3-(aminomethyl)-4-(2,4- dichlorophenyl)-2-methyl-5-oxo-5,7-dihydro-6h-pyrrolo[3,4- b]pyridin-6-yl)-n,n-dimethylacetamide | Descriptor: | 2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-N,N-dimethylacetamide, Dipeptidyl peptidase 4 | Authors: | Klei, H.E. | Deposit date: | 2013-03-04 | Release date: | 2013-09-04 | Last modified: | 2013-10-09 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Optimization of Activity, Selectivity, and Liability Profiles in 5-Oxopyrrolopyridine DPP4 Inhibitors Leading to Clinical Candidate (Sa)-2-(3-(Aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-5H-pyrrolo[3,4-b]pyridin-6(7H)-yl)-N,N-dimethylacetamide (BMS-767778). J.Med.Chem., 56, 2013
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1QIH
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![BU of 1qih by Molmil](/molmil-images/mine/1qih) | |
4JL8
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![BU of 4jl8 by Molmil](/molmil-images/mine/4jl8) | |
4JLD
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![BU of 4jld by Molmil](/molmil-images/mine/4jld) | |
4JLL
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![BU of 4jll by Molmil](/molmil-images/mine/4jll) | Crystal Structure of the evolved variant of the computationally designed serine hydrolase, OSH55.4_H1 covalently bound with FP-alkyne, Northeast Structural Genomics Consortium (NESG) Target OR273 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Kuzin, A, Lew, S, Rajagopalan, S, Seetharaman, J, Tong, S, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2013-03-12 | Release date: | 2013-04-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Design of activated serine-containing catalytic triads with atomic-level accuracy. Nat.Chem.Biol., 10, 2014
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4JMB
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![BU of 4jmb by Molmil](/molmil-images/mine/4jmb) | Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 5,6,7,8-tetrahydrothieno[2,3-b]quinolin-4-amine | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5,6,7,8-tetrahydrothieno[2,3-b]quinolin-4-amine, Cytochrome c peroxidase, ... | Authors: | Barelier, S, Fischer, M. | Deposit date: | 2013-03-13 | Release date: | 2013-05-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Docking to a water-filled model binding site in Cytochrome c Peroxidase To be published
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4JMZ
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![BU of 4jmz by Molmil](/molmil-images/mine/4jmz) | |
4JO9
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![BU of 4jo9 by Molmil](/molmil-images/mine/4jo9) | Crystal structure of the human Nup49CCS2+3* Nup57CCS3* complex 1:2 stoichiometry | Descriptor: | Nucleoporin p54, Nucleoporin p58/p45 | Authors: | Stuwe, T, Bley, C.J, Mayo, D.J, Hoelz, A. | Deposit date: | 2013-03-18 | Release date: | 2014-09-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.499 Å) | Cite: | Architecture of the fungal nuclear pore inner ring complex. Science, 350, 2015
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4JPT
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![BU of 4jpt by Molmil](/molmil-images/mine/4jpt) | Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with quinazoline-2,4-diamine | Descriptor: | Cytochrome c peroxidase, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Boyce, S.E, Fischer, M, Fish, I. | Deposit date: | 2013-03-19 | Release date: | 2013-07-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Blind prediction of charged ligand binding affinities in a model binding site. J.Mol.Biol., 425, 2013
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