4Q2A
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![BU of 4q2a by Molmil](/molmil-images/mine/4q2a) | WNK1: A chloride sensor via autophosphorylation | Descriptor: | BROMIDE ION, Serine/threonine-protein kinase WNK1 | Authors: | Piala, A, Moon, T, Akella, R, He, H, Cobb, M.H, Goldsmith, E. | Deposit date: | 2014-04-07 | Release date: | 2014-05-28 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Chloride Sensing by WNK1 Involves Inhibition of Autophosphorylation. Sci.Signal., 7, 2014
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4Q31
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![BU of 4q31 by Molmil](/molmil-images/mine/4q31) | The crystal structure of cystathione gamma lyase (CalE6) from Micromonospora echinospora | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, FORMIC ACID, ... | Authors: | Tan, K, Bigelow, L, Jedrzejczak, R, Babnigg, G, Bingman, C.A, Yennamalli, R.M, Singh, S, Kharel, M.K, Thorson, J.S, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2014-04-10 | Release date: | 2014-05-07 | Last modified: | 2017-03-08 | Method: | X-RAY DIFFRACTION (2.099 Å) | Cite: | Structural dynamics of a methionine gamma-lyase for calicheamicin biosynthesis: Rotation of the conserved tyrosine stacking with pyridoxal phosphate. Struct Dyn, 3, 2016
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5C8G
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![BU of 5c8g by Molmil](/molmil-images/mine/5c8g) | Crystal Structure Analysis of PP-BRD20 from Tb427tmp complexed with BI-2536 | Descriptor: | 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, PP-BRD20, UNKNOWN ATOM OR ION | Authors: | Jiang, D.Q, Tempel, W, Loppnau, P, Graslund, S, Hou, C.F.D, El Bakkouri, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Amain, M, Lin, Y.H, Structural Genomics Consortium (SGC) | Deposit date: | 2015-06-25 | Release date: | 2015-07-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal Structure Analysis of PP-BRD20 from Tb427tmp to be published
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5MEE
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![BU of 5mee by Molmil](/molmil-images/mine/5mee) | Cyanothece lipoxygenase 2 (CspLOX2) variant - L304V | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Arachidonate 15-lipoxygenase, FE (III) ION, ... | Authors: | Newie, J, Neumann, P, Werner, M, Mata, R.A, Ficner, R, Feussner, I. | Deposit date: | 2016-11-14 | Release date: | 2017-05-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Lipoxygenase 2 from Cyanothece sp. controls dioxygen insertion by steric shielding and substrate fixation. Sci Rep, 7, 2017
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5M7J
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![BU of 5m7j by Molmil](/molmil-images/mine/5m7j) | Blastochloris viridis photosynthetic reaction center structure using best crystal approach | Descriptor: | (2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-2,6,10,14,18,22,26,30-OCTAENYL TRIHYDROGEN DIPHOSPHATE, 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL A, ... | Authors: | Sharma, A.S, Johansson, L, Dunevall, E, Wahlgren, W.Y, Neutze, R, Katona, G. | Deposit date: | 2016-10-28 | Release date: | 2017-02-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Asymmetry in serial femtosecond crystallography data. Acta Crystallogr A Found Adv, 73, 2017
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5CBU
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![BU of 5cbu by Molmil](/molmil-images/mine/5cbu) | Human Cyclophilin D Complexed with Inhibitor. | Descriptor: | 1,2-ETHANEDIOL, POTASSIUM ION, Peptidyl-prolyl cis-trans isomerase F, ... | Authors: | Gibson, R.P, Shore, E, Kershaw, N, Awais, M, Javed, A, Latawiec, D, Pandalaneni, S, Wen, L, Berry, N, O'Neill, P, Sutton, R, Lian, L.Y. | Deposit date: | 2015-07-01 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Human Cyclophilin D Complexed with Inhibitor. To Be Published
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7KNU
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![BU of 7knu by Molmil](/molmil-images/mine/7knu) | |
4QA9
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![BU of 4qa9 by Molmil](/molmil-images/mine/4qa9) | Ensemble refinement of an epoxide hydrolase from Streptomyces carzinostaticus subsp. neocarzinostaticus. | Descriptor: | 1,2-ETHANEDIOL, Epoxide hydrolase, SULFATE ION | Authors: | Wang, F, Tan, K, Bigelow, L, Clancy, S, Babnigg, G, Bingman, C.A, Yennamalli, R, Lohman, J, Ma, M, Shen, B, Joachimiak, A, Phillips Jr, G.N, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2014-05-02 | Release date: | 2014-05-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Ensemble refinement of an epoxide hydrolase from Streptomyces carzinostaticus subsp. neocarzinostaticus. To be Published
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3QX2
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![BU of 3qx2 by Molmil](/molmil-images/mine/3qx2) | CDK2 in complex with inhibitor KVR-1-190 | Descriptor: | 1,2-ETHANEDIOL, 2-{[(2-aminopyrimidin-5-yl)methyl]amino}-4-[(2-hydroxyethyl)amino]-5-nitrobenzamide, Cyclin-dependent kinase 2 | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | Deposit date: | 2011-03-01 | Release date: | 2012-08-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening To be Published
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5MAZ
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![BU of 5maz by Molmil](/molmil-images/mine/5maz) | STRUCTURE OF THE LECB LECTIN FROM PSEUDOMONAS AERUGINOSA STRAIN PA14 IN COMPLEX WITH 3-Thiophenesulfonamide-2,5-dimethyl-N-methyl-beta-L-fucopyranoside | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Fucose-binding lectin PA-IIL, ... | Authors: | Sommer, R, Imberty, A, Titz, A, Varrot, A. | Deposit date: | 2016-11-07 | Release date: | 2017-12-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Discovery of a new class of C-glycoside based inhibitors of the virulence factor LecB from Pseudomonas aeruginosa To Be Published
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3QZI
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![BU of 3qzi by Molmil](/molmil-images/mine/3qzi) | CDK2 in complex with inhibitor KVR-1-126 | Descriptor: | 1,2-ETHANEDIOL, 4-chloro-5-nitro-2-[(pyrimidin-5-ylmethyl)amino]benzamide, Cyclin-dependent kinase 2 | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | Deposit date: | 2011-03-06 | Release date: | 2012-08-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening To be Published
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7KNT
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![BU of 7knt by Molmil](/molmil-images/mine/7knt) | |
3QWJ
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![BU of 3qwj by Molmil](/molmil-images/mine/3qwj) | CDK2 in complex with inhibitor KVR-1-142 | Descriptor: | 1,2-ETHANEDIOL, 2-{[(2-aminopyrimidin-5-yl)methyl]amino}-4-chloro-5-nitrobenzamide, Cyclin-dependent kinase 2 | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | Deposit date: | 2011-02-28 | Release date: | 2012-08-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening To be Published
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7KOK
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![BU of 7kok by Molmil](/molmil-images/mine/7kok) | The crystal structure of Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with PLP_Snyder496 inhibitor | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[(E)-(hydroxyimino)methyl]-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide, ACETATE ION, ... | Authors: | Osipiuk, J, Tesar, C, Endres, M, Lisnyak, V, Maki, S, Taylor, C, Zhang, Y, Zhou, Z, Azizi, S.A, Jones, K, Kathayat, R, Snyder, S.A, Dickinson, B.C, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-11-09 | Release date: | 2020-11-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The crystal structure of Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with PLP_Snyder496 to be published
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5C5H
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![BU of 5c5h by Molmil](/molmil-images/mine/5c5h) | R195K E. coli MenE with bound OSB-AMS | Descriptor: | 2-succinylbenzoate--CoA ligase, 5'-O-{[4-(2-carboxyphenyl)-4-oxobutanoyl]sulfamoyl}adenosine, MAGNESIUM ION | Authors: | Matarlo, J.S, Shek, R, Rajashankar, K.R, Tonge, P.J, French, J.B. | Deposit date: | 2015-06-19 | Release date: | 2015-10-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.401 Å) | Cite: | Mechanism of MenE Inhibition by Acyl-Adenylate Analogues and Discovery of Novel Antibacterial Agents. Biochemistry, 54, 2015
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3QX4
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![BU of 3qx4 by Molmil](/molmil-images/mine/3qx4) | CDK2 in complex with inhibitor KVR-1-78 | Descriptor: | 1,2-ETHANEDIOL, 4-chloro-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide, Cyclin-dependent kinase 2 | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | Deposit date: | 2011-03-01 | Release date: | 2012-08-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening To be Published
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5C6I
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![BU of 5c6i by Molmil](/molmil-images/mine/5c6i) | Crystal Structure of Gadolinium derivative of HEWL solved using Free-Electron Laser radiation | Descriptor: | 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, CHLORIDE ION, GADOLINIUM ATOM, ... | Authors: | Galli, L, Barends, T.R.M, Son, S.-K, White, T.A, Barty, A, Botha, S, Boutet, S, Caleman, C, Doak, R.B, Nanao, M.H, Nass, K, Shoeman, R.L, Timneanu, N, Santra, R, Schlichting, I, Chapman, H.N. | Deposit date: | 2015-06-23 | Release date: | 2015-07-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Towards phasing using high X-ray intensity. Iucrj, 2, 2015
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5BWF
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![BU of 5bwf by Molmil](/molmil-images/mine/5bwf) | Crystal structure of the beta-glucosidase from Trichoderma harzianum | Descriptor: | Beta-1,4-glucosidase, GLYCEROL, SULFATE ION | Authors: | Santos, C.A, Zanphorlin, L.M, Crucello, A, Tonoli, C.C.C, Ruller, R, Souza, A.P, Murakami, M.T. | Deposit date: | 2015-06-07 | Release date: | 2016-07-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of the beta-glucosidase from Trichoderma harzianum To Be Published
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5BWY
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![BU of 5bwy by Molmil](/molmil-images/mine/5bwy) | Structure of proplasmepsin II from Plasmodium falciparum, Space Group P43212 | Descriptor: | Plasmepsin-2 | Authors: | Recacha, R, Akopjana, I, Tars, K, Jaudzems, K. | Deposit date: | 2015-06-08 | Release date: | 2015-12-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.644 Å) | Cite: | Crystal structure of Plasmodium falciparum proplasmepsin IV: the plasticity of proplasmepsins. Acta Crystallogr F Struct Biol Commun, 72, 2016
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5MRL
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![BU of 5mrl by Molmil](/molmil-images/mine/5mrl) | Crystal structure of human monoamine oxidase B (MAO B) in complex with N(Furan2ylmethyl)Nmethylprop2yn1amine (F2MPA) | Descriptor: | (~{E})-~{N}-(furan-2-ylmethyl)-~{N}-methyl-prop-1-en-1-amine, Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Binda, C, De Deurwaerdere, P, Corne, R, Leone, C, Valeri, A, Valoti, M, Ramsay, R.R, Fall, Y, Marco-Contelles, J. | Deposit date: | 2016-12-23 | Release date: | 2017-01-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Comparative Analysis of the Neurochemical Profile and MAO Inhibition Properties of N-(Furan-2-ylmethyl)-N-methylprop-2-yn-1-amine. ACS Chem Neurosci, 8, 2017
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5MRX
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![BU of 5mrx by Molmil](/molmil-images/mine/5mrx) | |
4QC8
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![BU of 4qc8 by Molmil](/molmil-images/mine/4qc8) | Structural annotation of pathogenic bovine Parvovirus-1 | Descriptor: | VP2 | Authors: | Kailasan, S, Halder, S, Gurda, B.L, Bladek, H, Chipman, P.R, McKenna, R, Brown, K, Agbandje-McKenna, M. | Deposit date: | 2014-05-09 | Release date: | 2015-01-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structure of an enteric pathogen, bovine parvovirus. J.Virol., 89, 2015
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3QZH
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![BU of 3qzh by Molmil](/molmil-images/mine/3qzh) | CDK2 in complex with inhibitor KVR-1-124 | Descriptor: | 1,2-ETHANEDIOL, 4-methoxy-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide, Cyclin-dependent kinase 2 | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | Deposit date: | 2011-03-06 | Release date: | 2012-08-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening To be Published
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5MBC
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![BU of 5mbc by Molmil](/molmil-images/mine/5mbc) | Structure of a bacterial light-regulated adenylyl cylcase | Descriptor: | Beta subunit of photoactivated adenylyl cyclase, CHLORIDE ION, FLAVIN MONONUCLEOTIDE | Authors: | Lindner, R, Hartmann, E, Tarnawski, M, Winkler, A, Frey, D, Reinstein, J, Meinhart, A, Schlichting, I. | Deposit date: | 2016-11-08 | Release date: | 2017-04-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Photoactivation Mechanism of a Bacterial Light-Regulated Adenylyl Cyclase. J. Mol. Biol., 429, 2017
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3QZF
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![BU of 3qzf by Molmil](/molmil-images/mine/3qzf) | CDK2 in complex with inhibitor JWS-6-52 | Descriptor: | 2-(4,6-diamino-1,3,5-triazin-2-yl)benzene-1,4-diol, Cyclin-dependent kinase 2 | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | Deposit date: | 2011-03-06 | Release date: | 2012-08-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening To be Published
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