4I0A
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![BU of 4i0a by Molmil](/molmil-images/mine/4i0a) | structure of the mutant Catabolite gene activator protein V132A | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Catabolite gene activator, GLYCEROL | Authors: | Pohl, E, Townsend, P.D, Rodgers, T, Burnell, D, McLeish, T.C.B, Wilson, M.R, Cann, M.J. | Deposit date: | 2012-11-16 | Release date: | 2013-10-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Modulation of global low-frequency motions underlies allosteric regulation: demonstration in CRP/FNR family transcription factors. Plos Biol., 11, 2013
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4HSB
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4HZF
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![BU of 4hzf by Molmil](/molmil-images/mine/4hzf) | structure of the wild type Catabolite gene Activator Protein | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Catabolite gene activator, GLYCEROL, ... | Authors: | Pohl, E, Townsend, P.D, Rodgers, T, Burnell, D, McLeish, T.C.B, Wilson, M.R, Cann, M. | Deposit date: | 2012-11-15 | Release date: | 2013-10-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Modulation of global low-frequency motions underlies allosteric regulation: demonstration in CRP/FNR family transcription factors. Plos Biol., 11, 2013
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4L19
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![BU of 4l19 by Molmil](/molmil-images/mine/4l19) | Matrix metalloproteinase-13 complexed with selective inhibitor compound Q1 | Descriptor: | 2-[(4-methylbenzyl)sulfanyl]-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one, CALCIUM ION, Collagenase 3, ... | Authors: | Minond, D, Spicer, T.P, Jiang, J, Taylor, A.B, Hart, P.J, Roush, W.R, Fields, G.B, Hodder, P.S. | Deposit date: | 2013-06-02 | Release date: | 2014-12-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Characterization of selective exosite-binding inhibitors of matrix metalloproteinase 13 that prevent articular cartilage degradation in vitro. J.Med.Chem., 57, 2014
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4HUO
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![BU of 4huo by Molmil](/molmil-images/mine/4huo) | Structure of Ricin A chain bound with N-(N-(pterin-7-yl)carbonylglycyl)-L-phenylalanine | Descriptor: | N-[(2-amino-4-oxo-1,4-dihydropteridin-7-yl)carbonyl]glycyl-L-phenylalanine, Ricin | Authors: | Jasheway, K.R, Monzingo, A.F, Saito, R, Pruet, J.M, Manzano, L.A, Wiget, P.A, Anslyn, E.V, Robertus, J.D. | Deposit date: | 2012-11-02 | Release date: | 2012-12-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Peptide-conjugated pterins as inhibitors of ricin toxin A. J.Med.Chem., 56, 2013
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4LB1
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4I02
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![BU of 4i02 by Molmil](/molmil-images/mine/4i02) | structure of the mutant Catabolite gene activator protein V140A | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Catabolite gene activator | Authors: | Pohl, E, Townsend, P.D, Rodgers, T, Burnell, D, McLeish, T.C.B, Wilson, M.R, Cann, M.J. | Deposit date: | 2012-11-16 | Release date: | 2013-10-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Modulation of global low-frequency motions underlies allosteric regulation: demonstration in CRP/FNR family transcription factors. Plos Biol., 11, 2013
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4IAP
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![BU of 4iap by Molmil](/molmil-images/mine/4iap) | Crystal structure of PH domain of Osh3 from Saccharomyces cerevisiae | Descriptor: | Oxysterol-binding protein homolog 3,Endolysin,Oxysterol-binding protein homolog 3, SULFATE ION | Authors: | Tong, J, Im, Y.J. | Deposit date: | 2012-12-07 | Release date: | 2013-07-31 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of osh3 reveals a conserved mode of phosphoinositide binding in oxysterol-binding proteins Structure, 21, 2013
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4L9O
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![BU of 4l9o by Molmil](/molmil-images/mine/4l9o) | Crystal Structure of the Sec13-Sec16 blade-inserted complex from Pichia pastoris | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | McMahon, C, Jeffrey, P.D, Hughson, F.M. | Deposit date: | 2013-06-18 | Release date: | 2013-10-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Sec16 influences transitional ER sites by regulating rather than organizing COPII. Mol Biol Cell, 24, 2013
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4IBG
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![BU of 4ibg by Molmil](/molmil-images/mine/4ibg) | Ebola virus VP35 bound to small molecule | Descriptor: | GLYCEROL, PHOSPHATE ION, Polymerase cofactor VP35, ... | Authors: | Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K. | Deposit date: | 2012-12-08 | Release date: | 2014-03-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.413 Å) | Cite: | In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity. J.Mol.Biol., 426, 2014
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4IBB
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![BU of 4ibb by Molmil](/molmil-images/mine/4ibb) | Ebola virus VP35 bound to small molecule | Descriptor: | Polymerase cofactor VP35, {4-[(5R)-3-hydroxy-2-oxo-4-(thiophen-2-ylcarbonyl)-5-(2,4,5-trimethylphenyl)-2,5-dihydro-1H-pyrrol-1-yl]phenyl}acetic acid | Authors: | Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2012-12-08 | Release date: | 2014-02-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.752 Å) | Cite: | In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity. J.Mol.Biol., 426, 2014
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4IEM
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![BU of 4iem by Molmil](/molmil-images/mine/4iem) | Human apurinic/apyrimidinic endonuclease (APE1) with product DNA and Mg2+ | Descriptor: | DNA (5'-D(*CP*GP*AP*TP*CP*GP*GP*TP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*AP*C)-3'), DNA (5'-D(P*(3DR)P*GP*AP*TP*CP*G)-3'), ... | Authors: | Tsutakawa, S.E, Mol, C.D, Arvai, A.S, Tainer, J.A. | Deposit date: | 2012-12-13 | Release date: | 2013-01-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3936 Å) | Cite: | Conserved Structural Chemistry for Incision Activity in Structurally Non-homologous Apurinic/Apyrimidinic Endonuclease APE1 and Endonuclease IV DNA Repair Enzymes. J.Biol.Chem., 288, 2013
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4IBD
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![BU of 4ibd by Molmil](/molmil-images/mine/4ibd) | Ebola virus VP35 bound to small molecule | Descriptor: | 5-[(2R)-3-benzoyl-2-(4-bromothiophen-2-yl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-2-methylbenzoic acid, GLYCEROL, MAGNESIUM ION, ... | Authors: | Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K. | Deposit date: | 2012-12-08 | Release date: | 2014-03-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity. J.Mol.Biol., 426, 2014
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4LJH
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![BU of 4ljh by Molmil](/molmil-images/mine/4ljh) | Crystal Structure of Pseudomonas aeruginosa Lectin LecA Complexed with 1-Methyl-3-indolyl-b-D-galactopyranoside at 1.45 A Resolution | Descriptor: | 1-methyl-1H-indol-3-ol, CALCIUM ION, PA-I galactophilic lectin, ... | Authors: | Kadam, R.U, Stocker, A, Reymond, J.L. | Deposit date: | 2013-07-04 | Release date: | 2013-10-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | CH-pi "T-Shape" Interaction with Histidine Explains Binding of Aromatic Galactosides to Pseudomonas aeruginosa Lectin LecA Acs Chem.Biol., 8, 2013
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4INQ
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![BU of 4inq by Molmil](/molmil-images/mine/4inq) | Crystal structure of Osh3 ORD in complex with PI(4)P from Saccharomyces cerevisiae | Descriptor: | (2R)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate, Oxysterol-binding protein homolog 3 | Authors: | Tong, J, Im, Y.J. | Deposit date: | 2013-01-05 | Release date: | 2013-07-31 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of osh3 reveals a conserved mode of phosphoinositide binding in oxysterol-binding proteins Structure, 21, 2013
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4LDC
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![BU of 4ldc by Molmil](/molmil-images/mine/4ldc) | Crystal Structure of DOC2B C2B domain | Descriptor: | CALCIUM ION, CITRATE ANION, Double C2-like domain-containing protein beta | Authors: | Giladi, M, Almagor, L, Hirsch, J.A. | Deposit date: | 2013-06-24 | Release date: | 2013-09-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.264 Å) | Cite: | The C2B Domain Is the Primary Ca(2+) Sensor in DOC2B: A Structural and Functional Analysis. J.Mol.Biol., 425, 2013
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4IBJ
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![BU of 4ibj by Molmil](/molmil-images/mine/4ibj) | Ebola virus VP35 bound to small molecule | Descriptor: | 3-{(5S)-3-hydroxy-2-oxo-4-[3-(trifluoromethyl)benzoyl]-5-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrol-1-yl}benzoic acid, Polymerase cofactor VP35 | Authors: | Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K. | Deposit date: | 2012-12-08 | Release date: | 2014-03-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity. J.Mol.Biol., 426, 2014
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4IBI
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![BU of 4ibi by Molmil](/molmil-images/mine/4ibi) | Ebola virus VP35 bound to small molecule | Descriptor: | 3-{(2S)-2-(7-chloro-1,3-benzodioxol-5-yl)-4-hydroxy-5-oxo-3-[3-(trifluoromethyl)benzoyl]-2,5-dihydro-1H-pyrrol-1-yl}benzoic acid, Polymerase cofactor VP35 | Authors: | Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K. | Deposit date: | 2012-12-08 | Release date: | 2014-03-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.473 Å) | Cite: | In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity. J.Mol.Biol., 426, 2014
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4LK7
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![BU of 4lk7 by Molmil](/molmil-images/mine/4lk7) | Crystal Structure of Pseudomonas aeruginosa Lectin LecA Complexed with Resorufin-b-D-galactopyranoside at 1.76 A Resolution | Descriptor: | 7-hydroxy-3H-phenoxazin-3-one, CALCIUM ION, PA-I galactophilic lectin, ... | Authors: | Kadam, R.U, Stocker, A, Reymond, J.L. | Deposit date: | 2013-07-06 | Release date: | 2013-10-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.758 Å) | Cite: | CH-pi "T-Shape" Interaction with Histidine Explains Binding of Aromatic Galactosides to Pseudomonas aeruginosa Lectin LecA Acs Chem.Biol., 8, 2013
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4IBC
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![BU of 4ibc by Molmil](/molmil-images/mine/4ibc) | Ebola virus VP35 bound to small molecule | Descriptor: | DIMETHYL SULFOXIDE, Polymerase cofactor VP35, {4-[(2R)-3-(2-chlorobenzoyl)-2-(2-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]phenyl}acetic acid | Authors: | Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K. | Deposit date: | 2012-12-08 | Release date: | 2014-03-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.745 Å) | Cite: | In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity. J.Mol.Biol., 426, 2014
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4LCV
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![BU of 4lcv by Molmil](/molmil-images/mine/4lcv) | Crystal Structure of DOC2B C2A domain | Descriptor: | BETA-MERCAPTOETHANOL, CALCIUM ION, CITRATE ANION, ... | Authors: | Giladi, M, Almagor, L, Hirsch, J.A. | Deposit date: | 2013-06-23 | Release date: | 2013-09-11 | Last modified: | 2013-11-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The C2B Domain Is the Primary Ca(2+) Sensor in DOC2B: A Structural and Functional Analysis. J.Mol.Biol., 425, 2013
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4IC4
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4KXZ
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![BU of 4kxz by Molmil](/molmil-images/mine/4kxz) | crystal structure of tgfb2 in complex with GC2008. | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, GC1008 Heavy Chain, ... | Authors: | Mathieu, M, Moulin, A.G, Wei, R. | Deposit date: | 2013-05-28 | Release date: | 2014-09-24 | Last modified: | 2014-12-03 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | Structures of a pan-specific antagonist antibody complexed to different isoforms of TGF beta reveal structural plasticity of antibody-antigen interactions. Protein Sci., 23, 2014
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4QU7
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8JCD
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![BU of 8jcd by Molmil](/molmil-images/mine/8jcd) | |