7YQG
 
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8SPH
 | | Crystal structure of chimeric omicron RBD (strain XBB.1) complexed with human ACE2 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zhang, W, Shi, K, Aihara, H, Li, F. | | Deposit date: | 2023-05-03 | | Release date: | 2023-08-02 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Structural evolution of SARS-CoV-2 omicron in human receptor recognition.
J.Virol., 97, 2023
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4U97
 | | Crystal Structure of Asymmetric IRAK4 Dimer | | Descriptor: | Interleukin-1 receptor-associated kinase 4, STAUROSPORINE, SULFATE ION | | Authors: | Ferrao, R, Wu, H. | | Deposit date: | 2014-08-05 | | Release date: | 2014-09-24 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | IRAK4 Dimerization and trans-Autophosphorylation Are Induced by Myddosome Assembly.
Mol.Cell, 55, 2014
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7NLI
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4U9K
 | | Crystal structure of an H-NOX protein from S. oneidensis in the Mn(II)NO ligation state, Q154A/Q155A/K156A mutant | | Descriptor: | MANGANESE PROTOPORPHYRIN IX, NITRIC OXIDE, NO-binding heme-dependent sensor protein, ... | | Authors: | Herzik Jr, M.A, Jonnalagadda, R, Kuriyan, J, Marletta, M.A. | | Deposit date: | 2014-08-06 | | Release date: | 2014-10-01 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structural insights into the role of iron-histidine bond cleavage in nitric oxide-induced activation of H-NOX gas sensor proteins.
Proc.Natl.Acad.Sci.USA, 111, 2014
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7NLH
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7NB7
 | | Structure of Mcl-1 complex with compound 6b | | Descriptor: | (2~{R})-2-[[7-but-2-ynyl-5-(3-chloranyl-2-methyl-phenyl)-6-ethyl-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Dokurno, P, Surgenor, A.E, Kotschy, A. | | Deposit date: | 2021-01-25 | | Release date: | 2021-10-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.82 Å) | | Cite: | The Effect of Core Replacement on S64315, a Selective MCL-1 Inhibitor, and Its Analogues.
Acs Omega, 6, 2021
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4U6J
 | | HsMetAP in complex with methionine | | Descriptor: | COBALT (II) ION, GLYCEROL, METHIONINE, ... | | Authors: | Arya, T, Addlagatta, A. | | Deposit date: | 2014-07-29 | | Release date: | 2015-03-25 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases
J.Med.Chem., 58, 2015
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4U6S
 | | CtBP1 in complex with substrate phenylpyruvate | | Descriptor: | 3-PHENYLPYRUVIC ACID, C-terminal-binding protein 1, CALCIUM ION, ... | | Authors: | Hilbert, B.J, Morris, B.L, Ellis, K.C, Paulsen, J.L, Schiffer, C.A, Grossman, S.R, Royer Jr, W.E. | | Deposit date: | 2014-07-29 | | Release date: | 2015-02-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-Guided Design of a High Affinity Inhibitor to Human CtBP.
Acs Chem.Biol., 10, 2015
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4UAL
 | | MRCK beta in complex with BDP00005290 | | Descriptor: | 1,2-ETHANEDIOL, 4-chloro-1-(piperidin-4-yl)-N-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]-1H-pyrazole-3-carboxamide, CHLORIDE ION, ... | | Authors: | Schuettelkopf, A.W. | | Deposit date: | 2014-08-10 | | Release date: | 2014-10-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | A novel small-molecule MRCK inhibitor blocks cancer cell invasion.
Cell Commun. Signal, 12, 2014
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4U77
 | | BTB domain from Drosophila CP190 | | Descriptor: | Centrosome-associated zinc finger protein CP190, DIMETHYL SULFOXIDE, GLYCEROL | | Authors: | Allemand, F, Cohen-Gonsaud, M, Labesse, G, Nollmann, M. | | Deposit date: | 2014-07-30 | | Release date: | 2014-08-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Chromatin Insulator Factors Involved in Long-Range DNA Interactions and Their Role in the Folding of the Drosophila Genome.
Plos Genet., 10, 2014
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8SPI
 | | Crystal structure of chimeric omicron RBD (strain XBB.1.5) complexed with human ACE2 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zhang, W, Shi, K, Aihara, H, Li, F. | | Deposit date: | 2023-05-03 | | Release date: | 2023-08-02 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.06 Å) | | Cite: | Structural evolution of SARS-CoV-2 omicron in human receptor recognition.
J.Virol., 97, 2023
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4UBJ
 | | KINETIC CRYSTALLOGRAPHY OF ALPHA_E7-CARBOXYLESTERSE FROM LUCILLA CUPRINA - ABSORBED X-RAY DOSE 5.55 MGy at 100K | | Descriptor: | DIETHYL HYDROGEN PHOSPHATE, E3 | | Authors: | Jackson, C.J, Carr, P.D, Weik, M, Huber, T, Meirelles, T, Correy, G. | | Deposit date: | 2014-08-13 | | Release date: | 2015-08-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Mapping the Accessible Conformational Landscape of an Insect Carboxylesterase Using Conformational Ensemble Analysis and Kinetic Crystallography
Structure, 24, 2016
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4U7N
 | | Inactive structure of histidine kinase | | Descriptor: | Histidine protein kinase sensor protein | | Authors: | Cai, Y, Hu, X, Sang, J. | | Deposit date: | 2014-07-31 | | Release date: | 2015-09-02 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Conformational dynamics of the essential sensor histidine kinase WalK.
Acta Crystallogr D Struct Biol, 73, 2017
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4U7Y
 | | Structure of the complex of VPS4B MIT and IST1 MIM | | Descriptor: | IST1 homolog, Vacuolar protein sorting-associated protein 4B | | Authors: | Guo, E.Z, Xu, Z. | | Deposit date: | 2014-07-31 | | Release date: | 2015-02-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.502 Å) | | Cite: | Distinct Mechanisms of Recognizing Endosomal Sorting Complex Required for Transport III (ESCRT-III) Protein IST1 by Different Microtubule Interacting and Trafficking (MIT) Domains.
J.Biol.Chem., 290, 2015
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4UC1
 | | High resolution crystal structure of translocator protein 18kDa (TSPO) from Rhodobacter sphaeroides (A139T Mutant) in C2 space group | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-1-(hexadecanoyloxy)-3-hydroxypropan-2-yl (11Z)-octadec-11-enoate, METHOXY-ETHOXYL, ... | | Authors: | Li, F, Liu, J, Zheng, Y, Garavito, R.M, Ferguson-Miller, S. | | Deposit date: | 2014-08-13 | | Release date: | 2015-02-04 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structures of translocator protein (TSPO) and mutant mimic of a human polymorphism.
Science, 347, 2015
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4UA7
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1AL8
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4UBM
 | | KINETIC CRYSTALLOGRAPHY OF ALPHA_E7-CARBOXYLESTERSE FROM LUCILLA CUPRINA - ABSORBED X-RAY DOSE 11.11 MGy at 100K | | Descriptor: | DIETHYL HYDROGEN PHOSPHATE, E3 | | Authors: | Jackson, C.J, Carr, P.D, Weik, M, Huber, T, Meirelles, T, Correy, G. | | Deposit date: | 2014-08-13 | | Release date: | 2015-08-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Mapping the Accessible Conformational Landscape of an Insect Carboxylesterase Using Conformational Ensemble Analysis and Kinetic Crystallography
Structure, 24, 2016
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4UC3
 | | Translocator protein 18 kDa (TSPO) from Rhodobacter sphaeroides wild type | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2-(hexadecanoyloxy)-3-hydroxypropyl (9Z)-octadec-9-enoate, TRANSLOCATOR PROTEIN TSPO | | Authors: | Li, F, Liu, J, Zheng, Y, Garavito, R.M, Ferguson-Miller, S. | | Deposit date: | 2014-08-13 | | Release date: | 2015-02-04 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structures of translocator protein (TSPO) and mutant mimic of a human polymorphism.
Science, 347, 2015
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7NL6
 | | Crystal Structure of DC-SIGN in complex with a triazole-based glycomimetic ligand | | Descriptor: | CALCIUM ION, DC-SIGN, CRD domain, ... | | Authors: | Jakob, R.P, Cramer, J, Lakkaichi, A, Aliu, B, Cattaneo, I, Klein, S, Jiang, X, Rabbani, S, Schwardt, O, Ernst, B, Maier, T. | | Deposit date: | 2021-02-22 | | Release date: | 2021-10-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Sweet Drugs for Bad Bugs: A Glycomimetic Strategy against the DC-SIGN-Mediated Dissemination of SARS-CoV-2.
J.Am.Chem.Soc., 143, 2021
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4U2W
 | | Atomic resolution crystal structure of HV-BBI protease inhibitor from amphibian skin in complex with bovine trypsin | | Descriptor: | 1,2-ETHANEDIOL, Bowman-Birk trypsin inhibitor, CALCIUM ION, ... | | Authors: | Grudnik, P, Golik, P, Malicki, S, Debowski, D, Legowska, A, Rolka, K, Dubin, G. | | Deposit date: | 2014-07-18 | | Release date: | 2015-01-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Atomic resolution crystal structure of HV-BBI protease inhibitor from amphibian skin in complex with bovine trypsin.
Proteins, 83, 2015
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1WT1
 | | Mutant ABO(H) blood group glycosyltransferase with bound UDP and acceptor | | Descriptor: | Histo-blood group ABO system transferase, MERCURY (II) ION, URIDINE-5'-DIPHOSPHATE, ... | | Authors: | Lee, H.J, Barry, C.H, Borisova, S.N, Seto, N.O.L, Zheng, R.B, Blancher, A, Evans, S.V, Palcic, M.M. | | Deposit date: | 2004-11-12 | | Release date: | 2004-12-07 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural basis for the inactivity of human blood group o2 glycosyltransferase
J.Biol.Chem., 280, 2005
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5HUU
 | | Structure of Candida albicans trehalose-6-phosphate synthase in complex with UDP and glucose-6-phosphate | | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, Alpha,alpha-trehalose-phosphate synthase [UDP-forming], URIDINE-5'-DIPHOSPHATE | | Authors: | Miao, Y, Brennan, R.G. | | Deposit date: | 2016-01-27 | | Release date: | 2017-05-03 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Structural and In Vivo Studies on Trehalose-6-Phosphate Synthase from Pathogenic Fungi Provide Insights into Its Catalytic Mechanism, Biological Necessity, and Potential for Novel Antifungal Drug Design.
MBio, 8, 2017
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4U5U
 | | IMPORTIN-ALPHA MINOR NLS SITE INHIBITOR | | Descriptor: | Importin subunit alpha-1, N~2~-[3-(pyridin-3-yl)benzyl]-L-lysinamide | | Authors: | Stewart, M, Valkov, E, Holvey, R.S. | | Deposit date: | 2014-07-25 | | Release date: | 2015-05-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Selective Targeting of the TPX2 Site of Importin-alpha Using Fragment-Based Ligand Design.
Chemmedchem, 10, 2015
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