6OTD
 
 | | Globin sensor domain of AfGcHK in monomeric form, with imidazole | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Globin-coupled histidine kinase, IMIDAZOLE, ... | | Authors: | Skalova, T, Dohnalek, J, Kolenko, P, Stranava, M, Lengalova, A, Martinkova, M. | | Deposit date: | 2019-05-03 | | Release date: | 2020-01-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Disruption of the dimerization interface of the sensing domain in the dimeric heme-based oxygen sensorAfGcHK abolishes bacterial signal transduction.
J.Biol.Chem., 295, 2020
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6OKE
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6ZGY
 | | Structure of human galactokinase 1 bound with 2-(4-chlorophenyl)-N-(pyrimidin-2-yl)acetamide | | Descriptor: | (2,5-dimethylphenyl) pyridine-4-carboxylate, 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, ... | | Authors: | Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W. | | Deposit date: | 2020-06-20 | | Release date: | 2020-07-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia.
Acs Chem.Biol., 16, 2021
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3RAR
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7LZ3
 | | Computational design of constitutively active cGAS | | Descriptor: | Cyclic GMP-AMP synthase, GLYCEROL, ZINC ION | | Authors: | Dowling, Q, Volkman, H.E, Gray, E.E, Ovchinnikov, S, Cambier, S, Bera, A.K, Bick, M, Kang, A, Stetson, D.B, King, N.P. | | Deposit date: | 2021-03-08 | | Release date: | 2022-03-16 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Computational design of constitutively active cGAS.
Nat.Struct.Mol.Biol., 30, 2023
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3RC4
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1NSF
 | | D2 HEXAMERIZATION DOMAIN OF N-ETHYLMALEIMIDE SENSITIVE FACTOR (NSF) | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, N-ETHYLMALEIMIDE SENSITIVE FACTOR | | Authors: | Yu, R.C, Hanson, P.I, Jahn, R, Brunger, A.T. | | Deposit date: | 1998-06-26 | | Release date: | 1998-11-25 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of the ATP-dependent oligomerization domain of N-ethylmaleimide sensitive factor complexed with ATP.
Nat.Struct.Biol., 5, 1998
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1ODA
 | | N-terminal of Sialoadhesin in complex with Me-a-9-N-(biphenyl-4-carbonyl)-amino-9-deoxy-Neu5Ac (BIP compound) | | Descriptor: | ME-A-9-N-(BIPHENYL-4-CARBONYL)-AMINO-9-DEOXY-NEU5AC, SIALOADHESIN | | Authors: | Zaccai, N.R, Maenaka, K, Maenaka, T, Crocker, P.R, Brossmer, R, Kelm, S, Jones, E.Y. | | Deposit date: | 2003-02-14 | | Release date: | 2003-08-14 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.31 Å) | | Cite: | Structure Guided Design of Sialic Acid-Based Siglec Inhibitors and Crystallographic Analysis in Complex with Sialoadhesin
Structure, 11, 2003
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8CZ8
 | | Novel Anti-Mesothelin Antibodies Enable Crystallography of the Intact Mesothelin Ectodo- main and Engineering of Potent, T cell-engaging Bispecific Therapeutics | | Descriptor: | Mesothelin, cleaved form, SULFATE ION, ... | | Authors: | Bandaranayake, A.D, Rupert, P.B, Lin, I, Pilat, K, Ruff, R.O, Friend, D.J, Chan, M.K, Clarke, M, Carter, J, Meshinchi, S, Mehlin, C, Olson, J.M, Strong, R.K, Correnti, C.E. | | Deposit date: | 2022-05-24 | | Release date: | 2023-06-07 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Novel mesothelin antibodies enable crystallography of the intact mesothelin ectodomain and engineering of potent, T cell-engaging bispecific therapeutics
Front. Drug Discov., 3, 2023
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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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5MEP
 | | Human Leukocyte Antigen A02 presenting ILGKFLHWL | | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | | Authors: | Rizkallah, P.J, Cole, D.K, Lloyd, A, Crowther, M, Sewell, A.K. | | Deposit date: | 2016-11-16 | | Release date: | 2016-12-07 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Structural Mechanism Underpinning Cross-reactivity of a CD8+ T-cell Clone That Recognizes a Peptide Derived from Human Telomerase Reverse Transcriptase.
J. Biol. Chem., 292, 2017
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3RDJ
 | | Rat PKC C2 domain Apo | | Descriptor: | Protein kinase C alpha type | | Authors: | Li, P. | | Deposit date: | 2011-04-01 | | Release date: | 2011-09-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Pb2+ as modulator of protein-membrane interactions.
J.Am.Chem.Soc., 133, 2011
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2MQD
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1NW9
 | | STRUCTURE OF CASPASE-9 IN AN INHIBITORY COMPLEX WITH XIAP-BIR3 | | Descriptor: | Baculoviral IAP repeat-containing protein 4, ZINC ION, caspase 9, ... | | Authors: | Shiozaki, E.N, Chai, J, Rigotti, D.J, Riedl, S.J, Li, P, Srinivasula, S.M, Alnemri, E.S, Fairman, R, Shi, Y. | | Deposit date: | 2003-02-05 | | Release date: | 2003-03-25 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Mechanism of XIAP-Mediated Inhibition of Caspase-9
Mol.Cell, 11, 2003
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7MTT
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3RFH
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2N9A
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1NPH
 | | Gelsolin Domains 4-6 in Active, Actin Free Conformation Identifies Sites of Regulatory Calcium Ions | | Descriptor: | CALCIUM ION, Gelsolin | | Authors: | Kolappan, S, Gooch, J.T, Weeds, A.G, McLaughlin, P.J. | | Deposit date: | 2003-01-17 | | Release date: | 2003-05-13 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Gelsolin Domains 4-6 in Active, Actin-Free Conformation Identifies Sites of Regulatory Calcium Ions
J.Mol.Biol., 329, 2003
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3RIN
 | | p38 kinase crystal structure in complex with small molecule inhibitor | | Descriptor: | Mitogen-activated protein kinase 14, N-cyclopropyl-4-methyl-3-(2'-oxo-1',2'-dihydrospiro[cyclopentane-1,3'-indol]-6'-yl)benzamide | | Authors: | Segarra, V, Eastwood, P, Roca, R, Fisher, M, Lamers, M. | | Deposit date: | 2011-04-14 | | Release date: | 2012-02-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Indolin-2-one p38(alpha) inhibitors I: design, profiling and crystallographic binding mode.
Bioorg.Med.Chem.Lett., 21, 2011
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6RIJ
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3WDG
 | | Staphylococcus aureus UDG / UGI complex | | Descriptor: | Uncharacterized protein, Uracil-DNA glycosylase | | Authors: | Wang, H.C, Ko, T.P, Wang, A.H.J. | | Deposit date: | 2013-06-18 | | Release date: | 2014-02-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Staphylococcus aureus protein SAUGI acts as a uracil-DNA glycosylase inhibitor.
Nucleic Acids Res., 42, 2013
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5J80
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3WDY
 | | The complex structure of E113A with cellotetraose | | Descriptor: | Beta-1,3-1,4-glucanase, SULFATE ION, beta-D-glucopyranose, ... | | Authors: | Cheng, Y.S, Huang, C.H, Chen, C.C, Huang, T.Y, Ko, T.P, Huang, J.W, Wu, T.H, Liu, J.R, Guo, R.T. | | Deposit date: | 2013-06-25 | | Release date: | 2014-07-09 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Structural and mutagenetic analyses of a 1,3-1,4-beta-glucanase from Paecilomyces thermophila
Biochim.Biophys.Acta, 1844, 2014
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8D9Y
 | | Crystal structure of Taipan alpha-neurotoxin in complex with Centi-LNX-D09 antibody | | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Centi-LNX-D09 Fab heavy chain, ... | | Authors: | Pletnev, S, Verardi, R, Tully, E.S, Glanville, J, Kwong, P.D. | | Deposit date: | 2022-06-12 | | Release date: | 2023-06-14 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Venom protection by antibody from a snakebite hyperimmune subject
To Be Published
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5J89
 | | Structure of human Programmed cell death 1 ligand 1 (PD-L1) with low molecular mass inhibitor | | Descriptor: | 1,2-ETHANEDIOL, N-{2-[({2-methoxy-6-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]pyridin-3-yl}methyl)amino]ethyl}acetamide, Programmed cell death 1 ligand 1 | | Authors: | Zak, K.M, Grudnik, P, Guzik, K, Zieba, B.J, Musielak, B, Doemling, P, Dubin, G, Holak, T.A. | | Deposit date: | 2016-04-07 | | Release date: | 2016-04-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural basis for small molecule targeting of the programmed death ligand 1 (PD-L1).
Oncotarget, 7, 2016
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