6QB3
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![BU of 6qb3 by Molmil](/molmil-images/mine/6qb3) | Apo Mcl1 in a complex with a scFv | Descriptor: | Induced myeloid leukemia cell differentiation protein Mcl-1, scFv55 | Authors: | Kazmirski, S, Hargreaves, D. | Deposit date: | 2018-12-20 | Release date: | 2019-11-06 | Last modified: | 2019-11-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Antibody fragments structurally enable a drug-discovery campaign on the cancer target Mcl-1. Acta Crystallogr D Struct Biol, 75, 2019
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6Q9K
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![BU of 6q9k by Molmil](/molmil-images/mine/6q9k) | Crystal structure of reduced Aquifex aeolicus NADH-quinone oxidoreductase subunits NuoE and NuoF S96M bound to NADH | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | Authors: | Wohlwend, D, Gerhardt, S, Gnandt, E, Friedrich, T. | Deposit date: | 2018-12-18 | Release date: | 2019-06-26 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I. Nat Commun, 10, 2019
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6QB4
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![BU of 6qb4 by Molmil](/molmil-images/mine/6qb4) | Mcl1-scFv complex with an indole acid inhibitor | Descriptor: | 3-[3-[[(1~{R})-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1~{H}-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1, scFv55 | Authors: | Hargreaves, D. | Deposit date: | 2018-12-20 | Release date: | 2019-11-06 | Last modified: | 2019-11-13 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Antibody fragments structurally enable a drug-discovery campaign on the cancer target Mcl-1. Acta Crystallogr D Struct Biol, 75, 2019
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6QB9
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![BU of 6qb9 by Molmil](/molmil-images/mine/6qb9) | Structure of an anti-Mcl1 scFv | Descriptor: | L(+)-TARTARIC ACID, scFv55 | Authors: | Hargreaves, D. | Deposit date: | 2018-12-20 | Release date: | 2019-11-06 | Last modified: | 2019-11-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Antibody fragments structurally enable a drug-discovery campaign on the cancer target Mcl-1. Acta Crystallogr D Struct Biol, 75, 2019
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1XHO
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![BU of 1xho by Molmil](/molmil-images/mine/1xho) | Chorismate mutase from Clostridium thermocellum Cth-682 | Descriptor: | Chorismate mutase, UNKNOWN ATOM OR ION | Authors: | Xu, H, Chen, L, Lee, D, Habel, J.E, Nguyen, J, Chang, S.-H, Kataeva, I, Chang, J, Zhao, M, Yang, H, Horanyi, P, Florence, Q, Tempel, W, Zhou, W, Lin, D, Zhang, H, Praissman, J, Arendall III, W.B, Richardson, J.S, Richardson, D.C, Ljungdahl, L, Liu, Z.-J, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2004-09-20 | Release date: | 2004-11-23 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Away from the edge II: in-house Se-SAS phasing with chromium radiation. Acta Crystallogr.,Sect.D, 61, 2005
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6VSR
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![BU of 6vsr by Molmil](/molmil-images/mine/6vsr) | |
6WFW
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![BU of 6wfw by Molmil](/molmil-images/mine/6wfw) | Crystal structure of Fab364 in complex with NPNA2 peptide from circumsporozoite protein | Descriptor: | Fab364 heavy chain, Fab364 light chain, Immunoglobulin G-binding protein G, ... | Authors: | Pholcharee, T, Oyen, D, Wilson, I.A. | Deposit date: | 2020-04-04 | Release date: | 2020-07-29 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.093 Å) | Cite: | Structural and biophysical correlation of anti-NANP antibodies with in vivo protection against P. falciparum. Nat Commun, 12, 2021
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6WG2
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3CBP
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![BU of 3cbp by Molmil](/molmil-images/mine/3cbp) | Set7/9-ER-Sinefungin complex | Descriptor: | BETA-MERCAPTOETHANOL, Estrogen receptor, GLYCEROL, ... | Authors: | Cheng, X, Jia, D. | Deposit date: | 2008-02-22 | Release date: | 2008-05-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Regulation of estrogen receptor alpha by the SET7 lysine methyltransferase. Mol.Cell, 30, 2008
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5FTU
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![BU of 5ftu by Molmil](/molmil-images/mine/5ftu) | Tetrameric complex of Latrophilin 3, Unc5D and FLRT2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ADHESION G PROTEIN-COUPLED RECEPTOR L3, CALCIUM ION, ... | Authors: | Jackson, V.A, Mehmood, S, Chavent, M, Roversi, P, Carrasquero, M, del Toro, D, Seyit-Bremer, G, Ranaivoson, F.M, Comoletti, D, Sansom, M.S.P, Robinson, C.V, Klein, R, Seiradake, E. | Deposit date: | 2016-01-15 | Release date: | 2016-05-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (6.01 Å) | Cite: | Super-Complexes of Adhesion Gpcrs and Neural Guidance Receptors Nat.Commun., 7, 2016
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1OXQ
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![BU of 1oxq by Molmil](/molmil-images/mine/1oxq) | Structure and Function Analysis of Peptide Antagonists of Melanoma Inhibitor of Apoptosis (ML-IAP) | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, AVPIAQKSE (Smac) peptide, Baculoviral IAP repeat-containing protein 7, ... | Authors: | Franklin, M.C, Kadkhodayan, S, Ackerly, H, Alexandru, D, Distefano, M.D, Elliott, L.O, Flygare, J.A, Vucic, D, Deshayes, K, Fairbrother, W.J. | Deposit date: | 2003-04-03 | Release date: | 2003-08-26 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure and Function Analysis of Peptide Antagonists of Melanoma Inhibitor of Apoptosis (ML-IAP) Biochemistry, 42, 2003
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6WMW
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![BU of 6wmw by Molmil](/molmil-images/mine/6wmw) | GFRAL receptor bound with two antibody Fabs (3P10, 25M22) | Descriptor: | FAB25M22 heavy chain fragment, FAB25M22 light chain, FAB3P10 heavy chain fragment, ... | Authors: | White, A, Lakshminarasimhan, D, Olland, A, Suto, R.K. | Deposit date: | 2020-04-21 | Release date: | 2020-07-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | Antibody-mediated inhibition of GDF15-GFRAL activity reverses cancer cachexia in mice. Nat Med, 26, 2020
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1OXN
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![BU of 1oxn by Molmil](/molmil-images/mine/1oxn) | Structure and Function Analysis of Peptide Antagonists of Melanoma Inhibitor of Apoptosis (ML-IAP) | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, AEAVPWKSE peptide, Baculoviral IAP repeat-containing protein 7, ... | Authors: | Franklin, M.C, Kadkhodayan, S, Ackerly, H, Alexandru, D, Distefano, M.D, Elliott, L.O, Flygare, J.A, Vucic, D, Deshayes, K, Fairbrother, W.J. | Deposit date: | 2003-04-03 | Release date: | 2003-08-26 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure and Function Analysis of Peptide Antagonists of Melanoma Inhibitor of Apoptosis (ML-IAP) Biochemistry, 42, 2003
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2ZBK
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![BU of 2zbk by Molmil](/molmil-images/mine/2zbk) | Crystal structure of an intact type II DNA topoisomerase: insights into DNA transfer mechanisms | Descriptor: | RADICICOL, Type 2 DNA topoisomerase 6 subunit B, Type II DNA topoisomerase VI subunit A | Authors: | Graille, M, Cladiere, L, Durand, D, Lecointe, F, Forterre, P, van Tilbeurgh, H, Paris-Sud Yeast Structural Genomics (YSG) | Deposit date: | 2007-10-22 | Release date: | 2008-02-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.56 Å) | Cite: | Crystal Structure of an Intact Type II DNA Topoisomerase: Insights into DNA Transfer Mechanisms Structure, 16, 2008
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3CBO
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![BU of 3cbo by Molmil](/molmil-images/mine/3cbo) | SET7/9-ER-AdoHcy complex | Descriptor: | BETA-MERCAPTOETHANOL, Estrogen receptor, GLYCEROL, ... | Authors: | Cheng, X, Jia, D. | Deposit date: | 2008-02-22 | Release date: | 2008-05-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Regulation of estrogen receptor alpha by the SET7 lysine methyltransferase. Mol.Cell, 30, 2008
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3CBM
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![BU of 3cbm by Molmil](/molmil-images/mine/3cbm) | SET7/9-ER-AdoMet complex | Descriptor: | BETA-MERCAPTOETHANOL, Estrogen receptor, Histone-lysine N-methyltransferase SETD7, ... | Authors: | Cheng, X, Jia, D. | Deposit date: | 2008-02-22 | Release date: | 2008-05-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Regulation of estrogen receptor alpha by the SET7 lysine methyltransferase. Mol.Cell, 30, 2008
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3AGM
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![BU of 3agm by Molmil](/molmil-images/mine/3agm) | Complex of PKA with the bisubstrate protein kinase inhibitor ARC-670 | Descriptor: | N~2~-{8-OXO-8-[4-(9H-PURIN-6-YL)PIPERAZIN-1-YL]OCTANOYL}-D-ARGINYL-D-ARGINYL-D-ARGINYL-D-ARGINYL-D-ARGINYL-D-ARGININAMIDE, cAMP-dependent protein kinase catalytic subunit alpha | Authors: | Pflug, A, Ragozina, J, Uri, A, Bossemeyer, D, Engh, R.A. | Deposit date: | 2010-04-02 | Release date: | 2010-09-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Diversity of bisubstrate binding modes of adenosine analogue-oligoarginine conjugates in protein kinase a and implications for protein substrate interactions. J.Mol.Biol., 403, 2010
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5X30
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![BU of 5x30 by Molmil](/molmil-images/mine/5x30) | Crystal structure of Pseudomonas putida methionine gamma-lyase C116H mutant with L-homocysteine intermediates. | Descriptor: | (2E)-2-{[(1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}but-2-enoic acid, (2~{S})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-4-sulfanyl-butanoic acid, 2-AMINO-4-MERCAPTO-BUTYRIC ACID, ... | Authors: | Shiba, T, Sato, D, Harada, S. | Deposit date: | 2017-02-02 | Release date: | 2017-04-12 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and mechanistic insights into homocysteine degradation by a mutant of methionine gamma-lyase based on substrate-assisted catalysis Protein Sci., 26, 2017
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1MJB
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![BU of 1mjb by Molmil](/molmil-images/mine/1mjb) | Crystal structure of yeast Esa1 histone acetyltransferase E338Q mutant complexed with acetyl coenzyme A | Descriptor: | ACETYL COENZYME *A, Esa1 protein | Authors: | Yan, Y, Harper, S, Speicher, D, Marmorstein, R. | Deposit date: | 2002-08-27 | Release date: | 2002-10-30 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The catalytic mechanism of the ESA1 histone acetyltransferase involves a self-acetylated intermediate. Nat.Struct.Biol., 9, 2002
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1M7Y
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![BU of 1m7y by Molmil](/molmil-images/mine/1m7y) | Crystal structure of apple ACC synthase in complex with L-aminoethoxyvinylglycine | Descriptor: | (2E,3E)-4-(2-aminoethoxy)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]but-3-enoic acid, (4R)-2-METHYLPENTANE-2,4-DIOL, 1-aminocyclopropane-1-carboxylate synthase | Authors: | Capitani, G, McCarthy, D, Gut, H, Gruetter, M.G, Kirsch, J.F. | Deposit date: | 2002-07-23 | Release date: | 2002-12-23 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Apple 1-Aminocyclopropane-1-carboxylate Synthase in Complex with the Inhibitor
L-Aminoethoxyvinylglycine J.Biol.Chem., 277, 2002
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8UTK
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![BU of 8utk by Molmil](/molmil-images/mine/8utk) | IL-23R minibinder - 23R-B04dslf02IB | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 23R-B04dslf02IB, ... | Authors: | Bera, A.K, Berger, S.A, Kang, A, Baker, D. | Deposit date: | 2023-10-31 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Preclinical proof of principle for orally delivered Th17 antagonist miniproteins. Cell, 2024
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5X5A
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![BU of 5x5a by Molmil](/molmil-images/mine/5x5a) | Human thymidylate synthase bound with phosphate ion | Descriptor: | PHOSPHATE ION, Thymidylate synthase | Authors: | Chen, D, Jansson, A, Larsson, A, Nordlund, P. | Deposit date: | 2017-02-15 | Release date: | 2017-06-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states J. Biol. Chem., 292, 2017
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8F5W
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![BU of 8f5w by Molmil](/molmil-images/mine/8f5w) | Dihydropyrimidine Dehydrogenase (DPD) C671S Mutant Soaked with Dihydrothymine and NADPH Quasi-Anaerobically | Descriptor: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, Dihydropyrimidine dehydrogenase [NADP(+)], FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Kaley, N, Smith, M, Forouzesh, D, Liu, D, Moran, G. | Deposit date: | 2022-11-15 | Release date: | 2023-02-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Mammalian dihydropyrimidine dehydrogenase: Added mechanistic details from transient-state analysis of charge transfer complexes. Arch.Biochem.Biophys., 736, 2023
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8F6N
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![BU of 8f6n by Molmil](/molmil-images/mine/8f6n) | Dihydropyrimidine Dehydrogenase (DPD) C671S Mutant Soaked with Thymine Quasi-Anaerobically | Descriptor: | Dihydropyrimidine dehydrogenase [NADP(+)], FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Kaley, N, Smith, M, Forouzesh, D, Liu, D, Moran, G. | Deposit date: | 2022-11-16 | Release date: | 2023-02-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Mammalian dihydropyrimidine dehydrogenase: Added mechanistic details from transient-state analysis of charge transfer complexes. Arch.Biochem.Biophys., 736, 2023
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5X66
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![BU of 5x66 by Molmil](/molmil-images/mine/5x66) | Human thymidylate synthase in complex with dUMP and methotrexate | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, METHOTREXATE, Thymidylate synthase | Authors: | Chen, D, Jansson, A, Larsson, A, Nordlund, P. | Deposit date: | 2017-02-21 | Release date: | 2017-06-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states J. Biol. Chem., 292, 2017
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