4MS6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ms6 by Molmil](/molmil-images/mine/4ms6) | Human Leukotriene A4 Hydrolase in complex with Pro-Gly-Pro analogue | Descriptor: | 1-{4-oxo-4-[(2S)-pyrrolidin-2-yl]butanoyl}-L-proline, ACETIC ACID, Leukotriene A-4 hydrolase, ... | Authors: | Stsiapanava, A, Rinaldo-Matthis, A, Haeggstrom, J.Z. | Deposit date: | 2013-09-18 | Release date: | 2014-03-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Binding of Pro-Gly-Pro at the active site of leukotriene A4 hydrolase/aminopeptidase and development of an epoxide hydrolase selective inhibitor. Proc.Natl.Acad.Sci.USA, 111, 2014
|
|
4IG3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ig3 by Molmil](/molmil-images/mine/4ig3) | HIV-1 reverse transcriptase with bound fragment near Knuckles site | Descriptor: | (5S)-6,6-dimethyl-5-[(6R)-8-oxo-6,8-dihydrofuro[3,4-e][1,3]benzodioxol-6-yl]-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, ... | Authors: | Bauman, J.D, Patel, D, Arnold, E. | Deposit date: | 2012-12-15 | Release date: | 2013-02-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening. J.Med.Chem., 56, 2013
|
|
4IFY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ify by Molmil](/molmil-images/mine/4ify) | HIV-1 reverse transcriptase with bound fragment at the Knuckles site | Descriptor: | 1-[4-(trifluoromethoxy)phenyl]methanamine, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, ... | Authors: | Bauman, J.D, Patel, D, Arnold, E. | Deposit date: | 2012-12-15 | Release date: | 2013-02-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening. J.Med.Chem., 56, 2013
|
|
4MUM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mum by Molmil](/molmil-images/mine/4mum) | |
4MWH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mwh by Molmil](/molmil-images/mine/4mwh) | Crystal structure of scCK2 alpha in complex with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Casein kinase II subunit alpha, MAGNESIUM ION, ... | Authors: | Liu, H. | Deposit date: | 2013-09-24 | Release date: | 2013-11-20 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | The multiple nucleotide-divalent cation binding modes of Saccharomyces cerevisiae CK2 alpha indicate a possible co-substrate hydrolysis product (ADP/GDP) release pathway. Acta Crystallogr.,Sect.D, 70, 2014
|
|
4IL1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4il1 by Molmil](/molmil-images/mine/4il1) | Crystal Structure of the Rat Calcineurin | Descriptor: | CALCIUM ION, Calmodulin, Calcineurin subunit B type 1, ... | Authors: | Ye, Q, Faucher, F, Jia, Z. | Deposit date: | 2012-12-28 | Release date: | 2013-10-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural basis of calcineurin activation by calmodulin. Cell Signal, 25, 2013
|
|
4IMW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4imw by Molmil](/molmil-images/mine/4imw) | Structure of rat neuronal nitric oxide synthase in complex with 3,5-bis(2-(6-amino-4-methylpyridin-2-yl)ethyl)benzonitrile | Descriptor: | 3,5-bis[2-(6-amino-4-methylpyridin-2-yl)ethyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2013-01-03 | Release date: | 2013-04-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-guided design of selective inhibitors of neuronal nitric oxide synthase. J.Med.Chem., 56, 2013
|
|
4IN5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4in5 by Molmil](/molmil-images/mine/4in5) | (M)L214G mutant of the Rhodobacter sphaeroides Reaction Center | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, ... | Authors: | Saer, R.G, Hardjasa, A, Murphy, M.E, Beatty, J.T. | Deposit date: | 2013-01-04 | Release date: | 2013-05-01 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Role of Rhodobacter sphaeroides Photosynthetic Reaction Center Residue M214 in the Composition, Absorbance Properties, and Conformations of HA and BA Cofactors. Biochemistry, 52, 2013
|
|
4JHZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4jhz by Molmil](/molmil-images/mine/4jhz) | Structure of E. coli beta-Glucuronidase bound with a novel, potent inhibitor 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[(1S,2S,5S)-2,5-dimethoxycyclohexyl]acetamide | Descriptor: | 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[(1S,2S,5S)-2,5-dimethoxycyclohexyl]acetamide, Beta-glucuronidase | Authors: | Roberts, A.B, Wallace, B.D, Redinbo, M.R. | Deposit date: | 2013-03-05 | Release date: | 2013-08-28 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.831 Å) | Cite: | Molecular Insights into Microbial beta-Glucuronidase Inhibition to Abrogate CPT-11 Toxicity. Mol.Pharmacol., 84, 2013
|
|
4IFB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ifb by Molmil](/molmil-images/mine/4ifb) | Crystal structure of SULT 2A1 LLGG mutant with PAPS | Descriptor: | 3'-PHOSPHATE-ADENOSINE-5'-PHOSPHATE SULFATE, Bile salt sulfotransferase, PHOSPHATE ION, ... | Authors: | Kim, J, Toro, R, Bhosle, R, Cook, I, Wang, T, Falany, C.N, Leyh, T.S, Almo, S.C. | Deposit date: | 2012-12-14 | Release date: | 2013-02-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Sulfotransferase Selectivity at the Molecular level To be Published
|
|
4IDK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4idk by Molmil](/molmil-images/mine/4idk) | HIV-1 reverse transcriptase with bound fragment at the 428 site | Descriptor: | 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | Authors: | Bauman, J.D, Patel, D, Arnold, E. | Deposit date: | 2012-12-12 | Release date: | 2013-02-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening. J.Med.Chem., 56, 2013
|
|
4JJJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4jjj by Molmil](/molmil-images/mine/4jjj) | The structure of T. fusca GH48 D224N mutant | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ... | Authors: | Alahuhta, P.M, Lunin, V.V. | Deposit date: | 2013-03-07 | Release date: | 2014-07-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Cel48A from Thermobifida fusca: structure and site directed mutagenesis of key residues. Biotechnol.Bioeng., 111, 2014
|
|
4JKL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4jkl by Molmil](/molmil-images/mine/4jkl) | |
4J7H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4j7h by Molmil](/molmil-images/mine/4j7h) | Crystal structure of EvaA, a 2,3-dehydratase in complex with dTDP-benzene and dTDP-rhamnose | Descriptor: | 1,2-ETHANEDIOL, 2'-DEOXY-THYMIDINE-BETA-L-RHAMNOSE, 5'-O-[(S)-hydroxy{[(S)-hydroxy(phenoxy)phosphoryl]oxy}phosphoryl]thymidine, ... | Authors: | Holden, H.M, Kubiak, R.L, Thoden, J.B. | Deposit date: | 2013-02-13 | Release date: | 2013-05-22 | Last modified: | 2013-12-25 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Structure of EvaA: A Paradigm for Sugar 2,3-Dehydratases. Biochemistry, 52, 2013
|
|
4JLS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4jls by Molmil](/molmil-images/mine/4jls) | Crystal Structure of E. coli XGPRT in complex with (3R,4S)-4-(Guanin-9-yl)-3-hydroxypyrrolidin-1-N-ylacetylphosphonic acid | Descriptor: | Xanthine phosphoribosyltransferase, {2-[(3S,4R)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl}phosphonic acid | Authors: | Keough, D.T, Hockova, D, Rejman, D, Spacek, P, Vrbkova, S, Krecmerova, M, Eng, W.S, Jans, H, West, N.P, Naesens, L.M.J, de Jersey, J, Guddat, L.W. | Deposit date: | 2013-03-12 | Release date: | 2014-12-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Inhibition of the Escherichia coli 6-oxopurine phosphoribosyltransferases by nucleoside phosphonates: potential for new antibacterial agents. J.Med.Chem., 56, 2013
|
|
4IL6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4il6 by Molmil](/molmil-images/mine/4il6) | Structure of Sr-substituted photosystem II | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Koua, F.H.M, Umena, Y, Kawakami, K, Kamiya, N, Shen, J.R. | Deposit date: | 2012-12-29 | Release date: | 2013-03-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of Sr-substituted photosystem II at 2.1 A resolution and its implications in the mechanism of water oxidation Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
4IBL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ibl by Molmil](/molmil-images/mine/4ibl) | Rubidium Sites in Blood Coagulation Factor VIIa | Descriptor: | BENZAMIDINE, CALCIUM ION, CHLORIDE ION, ... | Authors: | Vadivel, K, Schmidt, A, Cascio, D, Padmanabhan, K, Bajaj, S.P. | Deposit date: | 2012-12-08 | Release date: | 2014-04-16 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of human factor VIIa-soluble tissue factor with calcium, magnesium and rubidium Acta Crystallogr.,Sect.D, D77, 2021
|
|
4JQ1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4jq1 by Molmil](/molmil-images/mine/4jq1) | AKR1C2 complex with naproxen | Descriptor: | (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid, 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C2, ... | Authors: | Yosaatmadja, Y, Flanagan, J.U, Squire, C.J. | Deposit date: | 2013-03-19 | Release date: | 2014-04-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural basis of NSAID selectivity for the aldo-keto reductase 1C family To be Published
|
|
4JKV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4jkv by Molmil](/molmil-images/mine/4jkv) | Structure of the human smoothened 7TM receptor in complex with an antitumor agent | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-fluoro-N-methyl-N-{1-[4-(1-methyl-1H-pyrazol-5-yl)phthalazin-1-yl]piperidin-4-yl}-2-(trifluoromethyl)benzamide, DI(HYDROXYETHYL)ETHER, ... | Authors: | Wang, C, Wu, H, Katritch, V, Han, G.W, Huang, X, Liu, W, Siu, F.Y, Roth, B.L, Cherezov, V, Stevens, R.C, GPCR Network (GPCR) | Deposit date: | 2013-03-11 | Release date: | 2013-04-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structure of the human smoothened receptor bound to an antitumour agent. Nature, 497, 2013
|
|
4JTD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4jtd by Molmil](/molmil-images/mine/4jtd) | Crystal structure of Kv1.2-2.1 paddle chimera channel in complex with Lys27Met mutant of Charybdotoxin | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, POTASSIUM ION, ... | Authors: | Banerjee, A, Lee, A, Campbell, E, MacKinnon, R. | Deposit date: | 2013-03-23 | Release date: | 2013-06-12 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Structure of a pore-blocking toxin in complex with a eukaryotic voltage-dependent K(+) channel. Elife, 2, 2013
|
|
4JA3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ja3 by Molmil](/molmil-images/mine/4ja3) | Partially occluded inward open conformation of the xylose transporter XylE from E. coli | Descriptor: | CADMIUM ION, D-xylose-proton symporter, LUTETIUM (III) ION | Authors: | Quistgaard, E.M, Low, C, Moberg, P, Tresaugues, L, Nordlund, P. | Deposit date: | 2013-02-18 | Release date: | 2013-05-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Structural basis for substrate transport in the GLUT-homology family of monosaccharide transporters. Nat.Struct.Mol.Biol., 20, 2013
|
|
4JSE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4jse by Molmil](/molmil-images/mine/4jse) | Structure of rat neuronal nitric oxide synthase heme domain in complex with 6,6'-(pentane-1,5-diyl)bis(4-methylpyridin-2-amine) | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-pentane-1,5-diylbis(4-methylpyridin-2-amine), ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2013-03-22 | Release date: | 2013-08-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | In search of potent and selective inhibitors of neuronal nitric oxide synthase with more simple structures. Bioorg.Med.Chem., 21, 2013
|
|
4IPM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ipm by Molmil](/molmil-images/mine/4ipm) | Crystal structure of a GH7 family cellobiohydrolase from Limnoria quadripunctata in complex with thiocellobiose | Descriptor: | ACETATE ION, CALCIUM ION, GH7 family protein, ... | Authors: | McGeehan, J.E, Martin, R.N.A, Streeter, S.D, Cragg, S.M, Guille, M.J, Schnorr, K.M, Kern, M, Bruce, N.C, McQueen-Mason, S.J. | Deposit date: | 2013-01-10 | Release date: | 2013-06-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | Structural characterization of a unique marine animal family 7 cellobiohydrolase suggests a mechanism of cellulase salt tolerance. Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
4IP7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ip7 by Molmil](/molmil-images/mine/4ip7) | Structure of the S12D variant of human liver pyruvate kinase in complex with citrate and FBP. | Descriptor: | 1,2-ETHANEDIOL, 1,6-di-O-phosphono-beta-D-fructofuranose, ADENOSINE, ... | Authors: | Holyoak, T, Fenton, A.W. | Deposit date: | 2013-01-09 | Release date: | 2013-01-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Energetic Coupling between an Oxidizable Cysteine and the Phosphorylatable N-Terminus of Human Liver Pyruvate Kinase. Biochemistry, 52, 2013
|
|
4JTC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4jtc by Molmil](/molmil-images/mine/4jtc) | Crystal structure of Kv1.2-2.1 paddle chimera channel in complex with Charybdotoxin in Cs+ | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, CESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Banerjee, A, Lee, A, Campbell, E, MacKinnon, R. | Deposit date: | 2013-03-23 | Release date: | 2013-06-12 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Structure of a pore-blocking toxin in complex with a eukaryotic voltage-dependent K(+) channel. Elife, 2, 2013
|
|