7TC5
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![BU of 7tc5 by Molmil](/molmil-images/mine/7tc5) | All Phe-Azurin variant - F15Y | Descriptor: | Azurin, COPPER (II) ION, NITRATE ION, ... | Authors: | Fedoretz-Maxwell, B.P, Worrall, L.J, Strynadka, N.C.J, Warren, J.J. | Deposit date: | 2021-12-22 | Release date: | 2022-06-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | The Impact of Second Coordination Sphere Methionine-Aromatic Interactions in Copper Proteins. Inorg.Chem., 61, 2022
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6FA3
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![BU of 6fa3 by Molmil](/molmil-images/mine/6fa3) | Antibody derived (Abd-6) small molecule binding to KRAS. | Descriptor: | DIMETHYL SULFOXIDE, GTPase KRas, MAGNESIUM ION, ... | Authors: | Quevedo, C.E, Cruz-Migoni, A, Ehebauer, M.T, Carr, S.B, Phillips, S.E.V, Rabbitts, T.H. | Deposit date: | 2017-12-15 | Release date: | 2018-08-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Small molecule inhibitors of RAS-effector protein interactions derived using an intracellular antibody fragment. Nat Commun, 9, 2018
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5BJX
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![BU of 5bjx by Molmil](/molmil-images/mine/5bjx) | X-ray structure of the PglF 4,6-dehydratase from campylobacter jejuni, variant T395V, in complex with UDP | Descriptor: | 1,2-ETHANEDIOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION, ... | Authors: | Riegert, A.S, Thoden, J.B, Holden, H.M. | Deposit date: | 2017-09-12 | Release date: | 2017-11-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural and Biochemical Investigation of PglF from Campylobacter jejuni Reveals a New Mechanism for a Member of the Short Chain Dehydrogenase/Reductase Superfamily. Biochemistry, 56, 2017
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7WBQ
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![BU of 7wbq by Molmil](/molmil-images/mine/7wbq) | |
6UZB
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![BU of 6uzb by Molmil](/molmil-images/mine/6uzb) | Anthrax toxin protective antigen channels bound to edema factor | Descriptor: | CALCIUM ION, Calmodulin-sensitive adenylate cyclase, Protective antigen | Authors: | Hardenbrook, N.J, Liu, S, Zhou, K, Zhou, Z.H, Krantz, B.A. | Deposit date: | 2019-11-14 | Release date: | 2020-03-04 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Atomic structures of anthrax toxin protective antigen channels bound to partially unfolded lethal and edema factors. Nat Commun, 11, 2020
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5I58
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![BU of 5i58 by Molmil](/molmil-images/mine/5i58) | GLUTAMATE- AND GLYCINE-BOUND GLUN1/GLUN2A AGONIST BINDING DOMAINS WITH MPX-004 | Descriptor: | 5-({[(3-chloro-4-fluorophenyl)sulfonyl]amino}methyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazine-2-carboxamide, GLUTAMIC ACID, GLYCINE, ... | Authors: | Mou, T.-C, Sprang, S.R, Hansen, K.B. | Deposit date: | 2016-02-14 | Release date: | 2016-09-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Structural Basis for Negative Allosteric Modulation of GluN2A-Containing NMDA Receptors. Neuron, 91, 2016
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8A0M
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![BU of 8a0m by Molmil](/molmil-images/mine/8a0m) | Capsular polysaccharide synthesis multienzyme in complex with capsular polymer fragment | Descriptor: | Bcs3, MAGNESIUM ION, beta-D-ribosyl-(1->1)-D-ribitol-5-phosphate | Authors: | Cifuente, J.O, Schulze, J, Bethe, A, Di Domenico, V, Litschko, C, Budde, I, Eidenberger, L, Thiesler, H, Ramon-Roth, I, Berger, M, Claus, H, DAngelo, C, Marina, A, Gerardy-Schahn, R, Schubert, M, Guerin, M.E, Fiebig, T. | Deposit date: | 2022-05-29 | Release date: | 2023-04-26 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | A multi-enzyme machine polymerizes the Haemophilus influenzae type b capsule. Nat.Chem.Biol., 19, 2023
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6J7W
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![BU of 6j7w by Molmil](/molmil-images/mine/6j7w) | Crystal Structure of Human BCMA in complex with UniAb(TM) VH | Descriptor: | Tumor necrosis factor receptor superfamily member 17, UniAb | Authors: | Clarke, S.C, Ma, B, Trinklein, N.D, Schellenberger, U, Osborn, M, Ouisse, L, Boudreau, A, Davison, L, Harris, K.E, Ugamraj, H, Balasubramani, A, Dang, K, Jorgensen, B, Ogana, H, Pham, D, Pratap, P, Sankaran, P, Anegon, I, van Schooten, W, Bruggemann, M, Buelow, R, Force Aldred, S. | Deposit date: | 2019-01-18 | Release date: | 2019-02-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Multispecific Antibody Development Platform Based on Human Heavy Chain Antibodies Front Immunol, 9, 2018
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6FA2
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![BU of 6fa2 by Molmil](/molmil-images/mine/6fa2) | Antibody derived (Abd-5) small molecule binding to KRAS. | Descriptor: | 4-[2-(dimethylamino)ethoxy]-~{N}-[[(3~{R})-5-(6-methoxypyridin-2-yl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide, GTPase KRas, MAGNESIUM ION, ... | Authors: | Quevedo, C.E, Cruz-Migoni, A, Ehebauer, M.T, Carr, S.B, Phillips, S.V.E, Rabbitts, T.H. | Deposit date: | 2017-12-15 | Release date: | 2018-09-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Small molecule inhibitors of RAS-effector protein interactions derived using an intracellular antibody fragment. Nat Commun, 9, 2018
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7SUV
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![BU of 7suv by Molmil](/molmil-images/mine/7suv) | APE1 exonuclease substrate complex with 8oxoG opposite A | Descriptor: | DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(8OG))-3'), DNA (5'-D(*GP*GP*AP*TP*CP*CP*GP*TP*CP*GP*AP*AP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(P*TP*CP*GP*AP*CP*GP*GP*AP*TP*CP*C)-3'), ... | Authors: | Whitaker, A.W, Freudenthal, B.D. | Deposit date: | 2021-11-18 | Release date: | 2022-09-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Processing oxidatively damaged bases at DNA strand breaks by APE1. Nucleic Acids Res., 50, 2022
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8FYQ
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![BU of 8fyq by Molmil](/molmil-images/mine/8fyq) | MicroED structure of Proteinase K from argon milled lamellae | Descriptor: | CALCIUM ION, NITRATE ION, Proteinase K | Authors: | Martynowycz, M.W, Shiriaeva, A, Clabbers, M.T.B, Nicolas, W.J, Weaver, S.J, Hattne, J, Gonen, T. | Deposit date: | 2023-01-26 | Release date: | 2023-03-08 | Method: | ELECTRON CRYSTALLOGRAPHY (1.4 Å) | Cite: | A robust approach for MicroED sample preparation of lipidic cubic phase embedded membrane protein crystals. Nat Commun, 14, 2023
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5KPN
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![BU of 5kpn by Molmil](/molmil-images/mine/5kpn) | Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor | Descriptor: | 1-[[4-fluoranyl-3-(3-oxidanylidene-4-propyl-piperazin-1-yl)carbonyl-phenyl]methyl]quinazoline-2,4-dione, Poly [ADP-ribose] polymerase 1 | Authors: | Cao, R, Wang, Y.L, Zhou, J, Yao, H.P, Huang, N, Xu, B.L. | Deposit date: | 2016-07-05 | Release date: | 2016-12-21 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor To Be Published
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8FYR
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![BU of 8fyr by Molmil](/molmil-images/mine/8fyr) | MicroED structure of Proteinase K from oxygen milled lamellae | Descriptor: | CALCIUM ION, NITRATE ION, Proteinase K | Authors: | Martynowycz, M.W, Shiriaeva, A, Clabbers, M.T.B, Nicolas, W.J, Weaver, S.J, Hattne, J, Gonen, T. | Deposit date: | 2023-01-26 | Release date: | 2023-03-08 | Method: | ELECTRON CRYSTALLOGRAPHY (1.5 Å) | Cite: | A robust approach for MicroED sample preparation of lipidic cubic phase embedded membrane protein crystals. Nat Commun, 14, 2023
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8FYP
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![BU of 8fyp by Molmil](/molmil-images/mine/8fyp) | MicroED structure of Proteinase K from xenon milled lamellae | Descriptor: | CALCIUM ION, NITRATE ION, Proteinase K | Authors: | Martynowycz, M.W, Shiriaeva, A, Clabbers, M.T.B, Nicolas, W.J, Weaver, S.J, Hattne, J, Gonen, T. | Deposit date: | 2023-01-26 | Release date: | 2023-03-08 | Method: | ELECTRON CRYSTALLOGRAPHY (1.45 Å) | Cite: | A robust approach for MicroED sample preparation of lipidic cubic phase embedded membrane protein crystals. Nat Commun, 14, 2023
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5IEI
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![BU of 5iei by Molmil](/molmil-images/mine/5iei) | X-ray crystallographic structure of a high affinity IGF2 antagonist (Domain11 AB5 RHH) based on human IGF2R domain 11 | Descriptor: | 1,2-ETHANEDIOL, Cation-independent mannose-6-phosphate receptor, GLYCEROL, ... | Authors: | Nicholls, R.D, Williams, C, Strickland, M, Frago, S, Hassan, A.B, Crump, M.P. | Deposit date: | 2016-02-25 | Release date: | 2016-05-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Functional evolution of IGF2:IGF2R domain 11 binding generates novel structural interactions and a specific IGF2 antagonist. Proc.Natl.Acad.Sci.USA, 113, 2016
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8FYS
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![BU of 8fys by Molmil](/molmil-images/mine/8fys) | MicroED structure of Proteinase K from nitrogen milled lamellae | Descriptor: | CALCIUM ION, Proteinase K | Authors: | Martynowycz, M.W, Shiriaeva, A, Clabbers, M.T.B, Nicolas, W.J, Weaver, S.J, Hattne, J, Gonen, T. | Deposit date: | 2023-01-26 | Release date: | 2023-03-08 | Method: | ELECTRON CRYSTALLOGRAPHY (1.8 Å) | Cite: | A robust approach for MicroED sample preparation of lipidic cubic phase embedded membrane protein crystals. Nat Commun, 14, 2023
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7TE2
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![BU of 7te2 by Molmil](/molmil-images/mine/7te2) | Crystal Structure of AerR from Rhodobacter capsulatus at 2.25 A. | Descriptor: | AerR, CHLORIDE ION, COBALAMIN, ... | Authors: | Dragnea, V, Gonzalez-Gutierrez, G, Bauer, C.E. | Deposit date: | 2022-01-04 | Release date: | 2022-08-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural Analyses of CrtJ and Its B 12 -Binding Co-Regulators SAerR and LAerR from the Purple Photosynthetic Bacterium Rhodobacter capsulatus. Microorganisms, 10, 2022
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1BA0
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![BU of 1ba0 by Molmil](/molmil-images/mine/1ba0) | HEAT-SHOCK COGNATE 70KD PROTEIN 44KD ATPASE N-TERMINAL 1NGE 3 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, HEAT-SHOCK COGNATE 70KD PROTEIN, ... | Authors: | Wilbanks, S.M, Mckay, D.B. | Deposit date: | 1998-04-21 | Release date: | 1998-07-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural replacement of active site monovalent cations by the epsilon-amino group of lysine in the ATPase fragment of bovine Hsc70. Biochemistry, 37, 1998
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8PHW
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![BU of 8phw by Molmil](/molmil-images/mine/8phw) | Human OATP1B1 | Descriptor: | CHOLESTEROL HEMISUCCINATE, Fab18 (heavy chain, variable region), ... | Authors: | Ciuta, A.-D, Nosol, K, Kowal, J, Mukherjee, S, Ramirez, A.S, Stieger, B, Kossiakoff, A.A, Locher, K.P. | Deposit date: | 2023-06-20 | Release date: | 2023-09-27 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structure of human drug transporters OATP1B1 and OATP1B3. Nat Commun, 14, 2023
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7SVB
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![BU of 7svb by Molmil](/molmil-images/mine/7svb) | APE1 exonuclease substrate complex with 8oxoG opposite C | Descriptor: | DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(8OG))-3'), DNA (5'-D(*GP*GP*AP*TP*CP*CP*GP*TP*CP*GP*AP*CP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(P*TP*CP*GP*AP*CP*GP*GP*AP*TP*CP*C)-3'), ... | Authors: | Whitaker, A.W, Freudenthal, B.D. | Deposit date: | 2021-11-18 | Release date: | 2022-09-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Processing oxidatively damaged bases at DNA strand breaks by APE1. Nucleic Acids Res., 50, 2022
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7ALN
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![BU of 7aln by Molmil](/molmil-images/mine/7aln) | Cryo-EM structure of the divergent actomyosin complex from Plasmodium falciparum Myosin A in the Rigor state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin-1, Jasplakinolide, ... | Authors: | Robert-Paganin, J, Xu, X.-P, Swift, M.F, Auguin, D, Robblee, J.P, Lu, H, Fagnant, P.M, Krementsova, E.B, Trybus, K.M, Houdusse, A, Volkmann, N, Hanein, D. | Deposit date: | 2020-10-06 | Release date: | 2021-04-28 | Method: | ELECTRON MICROSCOPY (3.77 Å) | Cite: | The actomyosin interface contains an evolutionary conserved core and an ancillary interface involved in specificity. Nat Commun, 12, 2021
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6MEV
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![BU of 6mev by Molmil](/molmil-images/mine/6mev) | Structure of JMJD6 bound to Mono-Methyl Arginine. | Descriptor: | (2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]pentanoic acid, 2-OXOGLUTARIC ACID, Bifunctional arginine demethylase and lysyl-hydroxylase JMJD6, ... | Authors: | Lee, S, Zhang, G. | Deposit date: | 2018-09-07 | Release date: | 2019-09-18 | Last modified: | 2020-04-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | JMJD6 cleaves MePCE to release positive transcription elongation factor b (P-TEFb) in higher eukaryotes. Elife, 9, 2020
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8FCF
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![BU of 8fcf by Molmil](/molmil-images/mine/8fcf) | Crystal structure of PLVAP CC1 in I212121 space group | Descriptor: | Plasmalemma vesicle-associated protein | Authors: | Chang, T.H, Hsieh, F.L, Gu, X, Kavran, J, Gabelli, S.B, Nathans, J. | Deposit date: | 2022-12-01 | Release date: | 2023-03-22 | Last modified: | 2023-04-12 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural insights into plasmalemma vesicle-associated protein (PLVAP): Implications for vascular endothelial diaphragms and fenestrae. Proc.Natl.Acad.Sci.USA, 120, 2023
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8FLO
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![BU of 8flo by Molmil](/molmil-images/mine/8flo) | X-ray crystal structure of substrate free CYP124A1 from Mycobacterium Marinum | Descriptor: | Cytochrome P450 124A1, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Ghith, A, Bruning, J.B, Bell, S.G. | Deposit date: | 2022-12-22 | Release date: | 2023-03-29 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | The catalytic activity and structure of the lipid metabolizing CYP124 cytochrome P450 enzyme from Mycobacterium marinum. Arch.Biochem.Biophys., 737, 2023
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8FJO
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![BU of 8fjo by Molmil](/molmil-images/mine/8fjo) | X-ray crystal structure of CYP124A1 from Mycobacterium Marinum in complex with farnesyl acetate | Descriptor: | (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl acetate, AMMONIUM ION, Cytochrome P450 124A1, ... | Authors: | Ghith, A, Bruning, J.B, Bell, S.G. | Deposit date: | 2022-12-20 | Release date: | 2023-03-29 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | The catalytic activity and structure of the lipid metabolizing CYP124 cytochrome P450 enzyme from Mycobacterium marinum. Arch.Biochem.Biophys., 737, 2023
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