5DKC
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![BU of 5dkc by Molmil](/molmil-images/mine/5dkc) | Crystal structure of the bromodomain of human BRM (SMARCA2) in complex with PFI-3 chemical probe | Descriptor: | (2E)-1-(2-hydroxyphenyl)-3-[(1R,4R)-5-(pyridin-2-yl)-2,5-diazabicyclo[2.2.1]hept-2-yl]prop-2-en-1-one, Probable global transcription activator SNF2L2, ZINC ION | Authors: | Tallant, C, Owen, D.R, Gerstenberger, B.S, Fedorov, O, Savitsky, P, Nunez-Alonso, G, Fonseca, M, Krojer, T, Filippakopoulos, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Muller, S, Knapp, S. | Deposit date: | 2015-09-03 | Release date: | 2015-10-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of the bromodomain of human BRM (SMARCA2) in complex with PFI-3 chemical probe To Be Published
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8OVI
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![BU of 8ovi by Molmil](/molmil-images/mine/8ovi) | BRICHOS monomer | Descriptor: | Pulmonary surfactant-associated protein C (Fragment) | Authors: | Ghosh, D, Torres, F, Guentert, P, Riek, R. | Deposit date: | 2023-04-26 | Release date: | 2024-06-26 | Method: | SOLUTION NMR | Cite: | The inhibitory action of the chaperone BRICHOS against the alpha-Synuclein secondary nucleation pathway at near-atomic resolution To Be Published
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7KQX
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![BU of 7kqx by Molmil](/molmil-images/mine/7kqx) | MIF Y99C homotrimeric mutant | Descriptor: | GLYCEROL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ... | Authors: | Manjula, R, Georgios, P, Lolis, E.J. | Deposit date: | 2020-11-18 | Release date: | 2022-01-19 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A Cysteine Variant at an Allosteric Site Alters MIF Dynamics and Biological Function in Homo- and Heterotrimeric Assemblies. Front Mol Biosci, 9, 2022
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6CYQ
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![BU of 6cyq by Molmil](/molmil-images/mine/6cyq) | Crystal structure of CTX-M-14 S70G/N106S beta-lactamase in complex with hydrolyzed cefotaxime | Descriptor: | (2R)-2-[(R)-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}(carboxy)methyl]-5-methylidene-5,6-dihydro -2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, GLYCEROL | Authors: | Patel, M.P, Hu, L, Sankaran, B, Brown, C, Prasad, B.V.V, Palzkill, T. | Deposit date: | 2018-04-06 | Release date: | 2018-10-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.698 Å) | Cite: | Synergistic effects of functionally distinct substitutions in beta-lactamase variants shed light on the evolution of bacterial drug resistance. J. Biol. Chem., 293, 2018
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6CIO
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![BU of 6cio by Molmil](/molmil-images/mine/6cio) | Pyruvate:ferredoxin oxidoreductase from Moorella thermoacetica with lactyl-TPP bound | Descriptor: | 3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-(1-CARBOXY-1-HYDROXYETHYL)-5-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-IUM, IRON/SULFUR CLUSTER, MAGNESIUM ION, ... | Authors: | Chen, P.Y.-T, Drennan, C.L. | Deposit date: | 2018-02-24 | Release date: | 2018-03-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.003 Å) | Cite: | Binding site for coenzyme A revealed in the structure of pyruvate:ferredoxin oxidoreductase fromMoorella thermoacetica. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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1PLR
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![BU of 1plr by Molmil](/molmil-images/mine/1plr) | CRYSTAL STRUCTURE OF THE EUKARYOTIC DNA POLYMERASE PROCESSIVITY FACTOR PCNA | Descriptor: | PROLIFERATING CELL NUCLEAR ANTIGEN (PCNA) | Authors: | Krishna, T.S.R, Kong, X.-P, Gary, S, Burgers, P.M, Kuriyan, J. | Deposit date: | 1995-01-02 | Release date: | 1995-03-31 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure of the eukaryotic DNA polymerase processivity factor PCNA. Cell(Cambridge,Mass.), 79, 1994
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4NBP
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![BU of 4nbp by Molmil](/molmil-images/mine/4nbp) | |
6CQF
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![BU of 6cqf by Molmil](/molmil-images/mine/6cqf) | Crystal structure of HPK1 in complex an inhibitor G1858 | Descriptor: | Mitogen-activated protein kinase kinase kinase kinase 1, N-{2-(3,3-difluoropyrrolidin-1-yl)-6-[(3R)-pyrrolidin-3-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1H-pyrazolo[4,3-c]pyridin-6-amine | Authors: | Wu, P, Lehoux, I, Mortara, K, Franke, Y, Chan, B.K, Wang, W. | Deposit date: | 2018-03-15 | Release date: | 2018-12-19 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.246 Å) | Cite: | Hematopoietic Progenitor Kinase-1 Structure in a Domain-Swapped Dimer. Structure, 27, 2019
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4N6P
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![BU of 4n6p by Molmil](/molmil-images/mine/4n6p) | Crystal Structure of C-lobe of Bovine lactoferrin complexed with meclofenamic acid at 1.4 A resolution | Descriptor: | 2-[(2,6-dichloro-3-methyl-phenyl)amino]benzoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Gautam, L, Dube, D, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2013-10-14 | Release date: | 2013-10-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal Structre of C-LOBE OF BOVINE LACTOFERRIN COMPLEXED WITH MECLOFENAMIC ACID AT 1.4 A RESOLUTION TO BE PUBLISHED
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5ZCZ
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![BU of 5zcz by Molmil](/molmil-images/mine/5zcz) | Solution structure of the T. Thermophilus HB8 TTHA1718 protein in living eukaryotic cells by in-cell NMR spectroscopy | Descriptor: | Heavy metal binding protein | Authors: | Tanaka, T, Teppei, I, Kamoshida, H, Mishima, M, Shirakawa, M, Guentert, P, Ito, Y. | Deposit date: | 2018-02-22 | Release date: | 2019-08-21 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | High-Resolution Protein 3D Structure Determination in Living Eukaryotic Cells. Angew.Chem.Int.Ed.Engl., 58, 2019
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5DZJ
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![BU of 5dzj by Molmil](/molmil-images/mine/5dzj) | Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase 2 with carbapenem drug T206 in conformation A | Descriptor: | (2~{R},3~{R},4~{R})-4-methyl-3-(2-oxidanylidene-2-propoxy-ethyl)sulfanyl-5-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-2-carboxylic acid, L,D-transpeptidase 2 | Authors: | Kumar, P, Ginell, S.L, Lamichhane, G. | Deposit date: | 2015-09-25 | Release date: | 2016-10-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.095 Å) | Cite: | Non-classical transpeptidases yield insight into new antibacterials. Nat. Chem. Biol., 13, 2017
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5W6A
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![BU of 5w6a by Molmil](/molmil-images/mine/5w6a) | HLA-C*06:02 presenting ARTELYRSL | Descriptor: | ALA-ARG-THR-GLU-LEU-TYR-ARG-SER-LEU, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | Authors: | Mobbs, J.I, Vivian, J.P, Rossjohn, J. | Deposit date: | 2017-06-16 | Release date: | 2017-08-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | The molecular basis for peptide repertoire selection in the human leucocyte antigen (HLA) C*06:02 molecule. J. Biol. Chem., 292, 2017
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5ZD0
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![BU of 5zd0 by Molmil](/molmil-images/mine/5zd0) | Solution structure of human ubiquitin with three alanine mutations in living eukaryotic cells by in-cell NMR spectroscopy | Descriptor: | ubiquitin | Authors: | Tanaka, T, Ikeya, T, Kamoshida, H, Mishima, M, Shirakawa, M, Guentert, P, Ito, Y. | Deposit date: | 2018-02-22 | Release date: | 2019-08-21 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | High-Resolution Protein 3D Structure Determination in Living Eukaryotic Cells. Angew.Chem.Int.Ed.Engl., 58, 2019
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1T6H
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![BU of 1t6h by Molmil](/molmil-images/mine/1t6h) | Crystal Structure T4 Lysozyme incorporating an unnatural amino acid p-iodo-L-phenylalanine at position 153 | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, Lysozyme | Authors: | Spraggon, G, Xie, J, Wang, L, Wu, N, Brock, A, Schultz, P.G. | Deposit date: | 2004-05-06 | Release date: | 2004-10-26 | Last modified: | 2018-02-14 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | The site-specific incorporation of p-iodo-L-phenylalanine into proteins for structure determination. Nat.Biotechnol., 22, 2004
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1QAD
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![BU of 1qad by Molmil](/molmil-images/mine/1qad) | Crystal Structure of the C-Terminal SH2 Domain of the P85 alpha Regulatory Subunit of Phosphoinositide 3-Kinase: An SH2 domain mimicking its own substrate | Descriptor: | PI3-KINASE P85 ALPHA SUBUNIT | Authors: | Hoedemaeker, P.J, Siegal, G, Roe, M, Driscoll, P.C, Abrahams, J.P.A. | Deposit date: | 1999-02-26 | Release date: | 1999-10-27 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of the C-terminal SH2 domain of the p85alpha regulatory subunit of phosphoinositide 3-kinase: an SH2 domain mimicking its own substrate. J.Mol.Biol., 292, 1999
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7F6Q
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![BU of 7f6q by Molmil](/molmil-images/mine/7f6q) | Crystal structure of metal-citrate-binding mutant (S79A) protein (MctA) of ABC transporter in apo state | Descriptor: | 1,2-ETHANEDIOL, 1,3-PROPANDIOL, ACETATE ION, ... | Authors: | Kanaujia, S.P, Mandal, S.K. | Deposit date: | 2021-06-25 | Release date: | 2021-12-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Structural and thermodynamic insights into a novel Mg 2+ -citrate-binding protein from the ABC transporter superfamily. Acta Crystallogr D Struct Biol, 77, 2021
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5E33
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![BU of 5e33 by Molmil](/molmil-images/mine/5e33) | Structure of human DPP3 in complex with met-enkephalin | Descriptor: | Dipeptidyl peptidase 3, MAGNESIUM ION, Met-enkephalin, ... | Authors: | Kumar, P, Reithofer, V, Reisinger, M, Pavkov-Keller, T, Wallner, S, Macheroux, P, Gruber, K. | Deposit date: | 2015-10-01 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.837 Å) | Cite: | Substrate complexes of human dipeptidyl peptidase III reveal the mechanism of enzyme inhibition. Sci Rep, 6, 2016
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5VV2
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![BU of 5vv2 by Molmil](/molmil-images/mine/5vv2) | Structure of human neuronal nitric oxide synthase heme domain in complex with 7-(((3-(5-Fluoropyridin-3-yl)propyl)amino)methyl)quinolin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-({[3-(5-fluoropyridin-3-yl)propyl]amino}methyl)quinolin-2-amine, Nitric oxide synthase, ... | Authors: | Huiying, L, Thomas, L.P. | Deposit date: | 2017-05-19 | Release date: | 2017-08-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Hydrophilic, Potent, and Selective 7-Substituted 2-Aminoquinolines as Improved Human Neuronal Nitric Oxide Synthase Inhibitors. J. Med. Chem., 60, 2017
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6H7J
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![BU of 6h7j by Molmil](/molmil-images/mine/6h7j) | ACTIVATED TURKEY BETA1 ADRENOCEPTOR WITH BOUND AGONIST ISOPRENALINE AND NANOBODY Nb80 | Descriptor: | Beta-1 adrenergic receptor, Camelid antibody fragment Nb80, HEGA-10, ... | Authors: | Warne, T, Edwards, P.C, Dore, A.S, Leslie, A.G.W, Tate, C.G. | Deposit date: | 2018-07-31 | Release date: | 2018-10-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Molecular basis for high-affinity agonist binding in GPCRs. Science, 364, 2019
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6CVV
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![BU of 6cvv by Molmil](/molmil-images/mine/6cvv) | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with adenosine triphosphate (ATP) - promiscuous binding mode with disordered nucleoside | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent dethiobiotin synthetase BioD, MAGNESIUM ION | Authors: | Thompson, A.P, Wegener, K.L, Bruning, J.B, Polyak, S.W. | Deposit date: | 2018-03-29 | Release date: | 2018-11-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Mycobacterium tuberculosis Dethiobiotin Synthetase Facilitates Nucleoside Triphosphate Promiscuity through Alternate Binding Modes Acs Catalysis, 8(11), 2018
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5Z4B
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![BU of 5z4b by Molmil](/molmil-images/mine/5z4b) | GB1 structure determination in living eukaryotic cells by in-cell NMR spectroscopy | Descriptor: | Protein LG | Authors: | Tanaka, T, Teppei, I, Kamoshida, H, Mishima, M, Shirakawa, M, Guentert, P, Ito, Y. | Deposit date: | 2018-01-10 | Release date: | 2019-01-23 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | High-Resolution Protein 3D Structure Determination in Living Eukaryotic Cells. Angew.Chem.Int.Ed.Engl., 58, 2019
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7F6P
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![BU of 7f6p by Molmil](/molmil-images/mine/7f6p) | Crystal structure of metal-citrate-binding mutant (D28A) protein (MctA) of ABC transporter endogenously bound to citrate | Descriptor: | 1,2-ETHANEDIOL, 1,3-PROPANDIOL, CARBON DIOXIDE, ... | Authors: | Kanaujia, S.P, Mandal, S.K. | Deposit date: | 2021-06-25 | Release date: | 2021-12-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural and thermodynamic insights into a novel Mg 2+ -citrate-binding protein from the ABC transporter superfamily. Acta Crystallogr D Struct Biol, 77, 2021
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7F6N
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![BU of 7f6n by Molmil](/molmil-images/mine/7f6n) | |
5PHN
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![BU of 5phn by Molmil](/molmil-images/mine/5phn) | PanDDA analysis group deposition -- Crystal Structure of JMJD2D in complex with N09522a | Descriptor: | 1,2-ETHANEDIOL, Lysine-specific demethylase 4D, N-OXALYLGLYCINE, ... | Authors: | Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Szykowska, A, Burgess-Brown, N, Brennan, P.E, Cox, O, Oppermann, U, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | Deposit date: | 2017-02-07 | Release date: | 2017-03-15 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
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6CZC
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![BU of 6czc by Molmil](/molmil-images/mine/6czc) | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with thymidine triphosphate (TTP) - promiscuous binding mode with disordered nucleoside | Descriptor: | ATP-dependent dethiobiotin synthetase BioD, MAGNESIUM ION, THYMIDINE-5'-TRIPHOSPHATE | Authors: | Thompson, A.P, Wegener, K.L, Bruning, J.B, Polyak, S.W. | Deposit date: | 2018-04-09 | Release date: | 2018-11-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Mycobacterium tuberculosis Dethiobiotin Synthetase Facilitates Nucleoside Triphosphate Promiscuity through Alternate Binding Modes Acs Catalysis, 8(11), 2018
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