4TS8
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![BU of 4ts8 by Molmil](/molmil-images/mine/4ts8) | Crystal structure of the bromodomain of human CREBBP in complex with XZ08 | Descriptor: | 1,2-ETHANEDIOL, 4-(1-acetyl-1H-indol-3-yl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one, CREB-binding protein | Authors: | Dong, J, Gartenmann, L, Spiliotopoulos, D, Caflisch, A. | Deposit date: | 2014-06-18 | Release date: | 2015-07-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the bromodomain of human CREBBP in complex with XZ08 To Be Published
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6QUX
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![BU of 6qux by Molmil](/molmil-images/mine/6qux) | Crystal Structure of KRAS-G12D in Complex with Natural Product-Like Compound 15 | Descriptor: | (6~{a}~{R},11~{b}~{S})-6~{a}-(1,4-dimethylpiperidin-4-yl)-7,11~{b}-dihydro-6~{H}-indolo[2,3-c]isoquinolin-5-one, 1,2-ETHANEDIOL, GTPase KRas, ... | Authors: | Fischer, G, Kessler, D, Muellauer, B, Wolkerstorfer, B. | Deposit date: | 2019-02-28 | Release date: | 2019-07-31 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | KRAS Binders Hidden in Nature. Chemistry, 25, 2019
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3SGO
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4TQA
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![BU of 4tqa by Molmil](/molmil-images/mine/4tqa) | Crystal Structure of a GDP-bound G13D Oncogenic Mutant of Human GTPase KRas | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | Authors: | Hunter, J.C, Manandhar, A, Gurbani, D, Chen, Z, Westover, K.D. | Deposit date: | 2014-06-10 | Release date: | 2015-06-10 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Biochemical and Structural Analysis of Common Cancer-Associated KRAS Mutations. Mol Cancer Res., 13, 2015
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7UEK
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6QYP
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![BU of 6qyp by Molmil](/molmil-images/mine/6qyp) | Structure of Mcl-1 in complex with compound 13 | Descriptor: | (2~{R})-2-[5-[3-chloranyl-2-methyl-5-(4-methylpiperazin-1-yl)-4-oxidanyl-phenyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A. | Deposit date: | 2019-03-09 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity. J.Med.Chem., 62, 2019
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6QZ5
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![BU of 6qz5 by Molmil](/molmil-images/mine/6qz5) | Structure of Mcl-1 in complex with compound 8a | Descriptor: | (2~{R})-2-[[6-ethyl-5-(1~{H}-indol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A. | Deposit date: | 2019-03-11 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity. J.Med.Chem., 62, 2019
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6QZF
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![BU of 6qzf by Molmil](/molmil-images/mine/6qzf) | The cryo-EM structure of the collar complex and tail axis in genome emptied bacteriophage phi29 | Descriptor: | Portal protein, Pre-neck appendage protein, Proximal tail tube connector protein | Authors: | Xu, J, Wang, D, Gui, M, Xiang, Y. | Deposit date: | 2019-03-11 | Release date: | 2019-06-12 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural assembly of the tailed bacteriophage φ29. Nat Commun, 10, 2019
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4RNY
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![BU of 4rny by Molmil](/molmil-images/mine/4rny) | Structure of Helicobacter pylori Csd3 from the orthorhombic crystal | Descriptor: | Conserved hypothetical secreted protein, GLYCEROL, SULFATE ION, ... | Authors: | An, D.R, Kim, H.S, Kim, J, Im, H.N, Yoon, H.J, Yoon, J.Y, Jang, J.Y, Hesek, D, Lee, M, Mobashery, S, Kim, S.-J, Lee, B.I, Suh, S.W. | Deposit date: | 2014-10-27 | Release date: | 2015-03-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of Csd3 from Helicobacter pylori, a cell shape-determining metallopeptidase. Acta Crystallogr.,Sect.D, 71, 2015
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6ZXX
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![BU of 6zxx by Molmil](/molmil-images/mine/6zxx) | Catabolic reductive dehalogenase NpRdhA, N-terminally tagged. | Descriptor: | 3 bromo 4 hydroxybenzoic acid, 3,5-bis(bromanyl)-4-oxidanyl-benzoic acid, BROMIDE ION, ... | Authors: | Leys, D, Halliwell, T. | Deposit date: | 2020-07-30 | Release date: | 2020-09-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Catabolic Reductive Dehalogenase Substrate Complex Structures Underpin Rational Repurposing of Substrate Scope. Microorganisms, 8, 2020
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6ZYH
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7UVQ
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![BU of 7uvq by Molmil](/molmil-images/mine/7uvq) | Pfs230 domain 1 bound by RUPA-97 and 15C5 Fabs | Descriptor: | Fab Heavy Chain, Fab Kappa Light Chain, Gametocyte surface protein P230 | Authors: | Ivanochko, D, Julien, J.P. | Deposit date: | 2022-05-02 | Release date: | 2023-02-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.29 Å) | Cite: | Potent transmission-blocking monoclonal antibodies from naturally exposed individuals target a conserved epitope on Plasmodium falciparum Pfs230. Immunity, 56, 2023
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6QYK
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![BU of 6qyk by Molmil](/molmil-images/mine/6qyk) | Structure of MBP-Mcl-1 in complex with compound 7a | Descriptor: | (2~{R})-2-[6-ethyl-5-(1~{H}-indol-5-yl)thieno[2,3-d]pyrimidin-4-yl]oxypropanoic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A. | Deposit date: | 2019-03-09 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity. J.Med.Chem., 62, 2019
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1ZPQ
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![BU of 1zpq by Molmil](/molmil-images/mine/1zpq) | STRUCTURE OF BACTERIOPHAGE LAMBDA CII protein | Descriptor: | Regulatory protein CII | Authors: | Jain, D, Kim, Y, Maxwell, K.L, Beasley, S, Gussin, G.N, Edwards, A.M, Joachimiak, A, Darst, S.A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2005-05-17 | Release date: | 2005-08-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structure of Bacteriophage lambdacII and Its DNA Complex. Mol.Cell, 19, 2005
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1ZQ3
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![BU of 1zq3 by Molmil](/molmil-images/mine/1zq3) | NMR Solution Structure of the Bicoid Homeodomain Bound to the Consensus DNA Binding Site TAATCC | Descriptor: | 5'-D(*CP*GP*GP*GP*GP*AP*TP*TP*AP*GP*AP*GP*C)-3', 5'-D(*GP*CP*TP*CP*TP*AP*AP*TP*CP*CP*CP*CP*G)-3', Homeotic bicoid protein | Authors: | Baird-Titus, J.M, Rance, M, Clark-Baldwin, K, Ma, J, Vrushank, D. | Deposit date: | 2005-05-18 | Release date: | 2006-02-14 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | The solution structure of the native K50 Bicoid homeodomain bound to the consensus TAATCC DNA-binding site. J.Mol.Biol., 356, 2006
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6QYY
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![BU of 6qyy by Molmil](/molmil-images/mine/6qyy) | The crystal structure of head fiber gp8.5 N base in bacteriophage phi29 | Descriptor: | Capsid fiber protein, SULFATE ION | Authors: | Xu, J, Wang, D, Gui, M, Xiang, Y. | Deposit date: | 2019-03-10 | Release date: | 2019-06-12 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural assembly of the tailed bacteriophage φ29. Nat Commun, 10, 2019
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6QZ6
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![BU of 6qz6 by Molmil](/molmil-images/mine/6qz6) | Structure of Mcl-1 in complex with compound 8b | Descriptor: | (2~{R})-2-[[6-ethyl-5-(1~{H}-indol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A. | Deposit date: | 2019-03-11 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity. J.Med.Chem., 62, 2019
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6QXV
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![BU of 6qxv by Molmil](/molmil-images/mine/6qxv) | Pink beam serial crystallography: Proteinase K, 1 us exposure, 1585 patterns merged (2 chips) | Descriptor: | CALCIUM ION, CHLORIDE ION, Proteinase K, ... | Authors: | Tolstikova, A, Oberthuer, D, Meents, A. | Deposit date: | 2019-03-08 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | 1 kHz fixed-target serial crystallography using a multilayer monochromator and an integrating pixel detector. Iucrj, 6, 2019
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1ZQ5
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![BU of 1zq5 by Molmil](/molmil-images/mine/1zq5) | Crystal structure of human androgenic 17beta-hydroxysteroid dehydrogenase type 5 in complexed with a potent inhibitor EM1404 | Descriptor: | 3-CARBOXAMIDO-1,3,5(10)-ESTRATRIEN-17(R)-SPIRO-2'(5',5'-DIMETHYL-6'OXO)TETRAHYDROPYRAN, ACETATE ION, Aldo-keto reductase family 1 member C3, ... | Authors: | Qiu, W, Zhou, M, Ghanmi, D, Luu-The, V, Labrie, F, Lin, S.X. | Deposit date: | 2005-05-18 | Release date: | 2006-12-12 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structure-based inhibitor design for an enzyme that binds different steroids: a potent inhibitor for human type 5 17beta-hydroxysteroid dehydrogenase. J.Biol.Chem., 282, 2007
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6QYN
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![BU of 6qyn by Molmil](/molmil-images/mine/6qyn) | Structure of MBP-Mcl-1 in complex with compound 10d | Descriptor: | (2~{R})-2-[5-(3-chloranyl-2-methyl-4-oxidanyl-phenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A. | Deposit date: | 2019-03-09 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity. J.Med.Chem., 62, 2019
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7UVO
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![BU of 7uvo by Molmil](/molmil-images/mine/7uvo) | Pfs230 domain 1 bound by RUPA-38 Fab | Descriptor: | CHLORIDE ION, Gametocyte surface protein P230, ISOPROPYL ALCOHOL, ... | Authors: | Ivanochko, D, Newton, J, Julien, J.P. | Deposit date: | 2022-05-02 | Release date: | 2023-02-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Potent transmission-blocking monoclonal antibodies from naturally exposed individuals target a conserved epitope on Plasmodium falciparum Pfs230. Immunity, 56, 2023
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7UVH
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![BU of 7uvh by Molmil](/molmil-images/mine/7uvh) | Pfs230 domain 1 bound by RUPA-32 Fab | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AMMONIUM ION, ... | Authors: | Ivanochko, D, Newton, J, Julien, J.P. | Deposit date: | 2022-05-02 | Release date: | 2023-02-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Potent transmission-blocking monoclonal antibodies from naturally exposed individuals target a conserved epitope on Plasmodium falciparum Pfs230. Immunity, 56, 2023
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7UXL
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![BU of 7uxl by Molmil](/molmil-images/mine/7uxl) | Crystal structure of malaria transmission-blocking antigen Pfs48/45-6C variant in complex with human antibodies RUPA-44 and RUPA-29 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Gametocyte surface protein P45/48, RUPA-29 Fab Heavy chain, ... | Authors: | Hailemariam, S, Ivanochko, D, Julien, J.P. | Deposit date: | 2022-05-05 | Release date: | 2023-02-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | Highly potent, naturally acquired human monoclonal antibodies against Pfs48/45 block Plasmodium falciparum transmission to mosquitoes. Immunity, 56, 2023
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6ZQU
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![BU of 6zqu by Molmil](/molmil-images/mine/6zqu) | Cryo-EM structure of mature Dengue virus 2 at 3.1 angstrom resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Genome polyprotein | Authors: | Renner, M, Dejnirattisai, W, Carrique, L, Serna Martin, I, Karia, D, Ilca, S.L, Ho, S.F, Kotecha, A, Keown, J.R, Mongkolsapaya, J, Screaton, G.R, Grimes, J.M. | Deposit date: | 2020-07-10 | Release date: | 2021-01-20 | Last modified: | 2021-08-04 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Flavivirus maturation leads to the formation of an occupied lipid pocket in the surface glycoproteins. Nat Commun, 12, 2021
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6QYJ
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![BU of 6qyj by Molmil](/molmil-images/mine/6qyj) | |