4Y2B
 
 | | Co-crystal structure of 3-ethyl-2-(isopropylamino)-7-(pyridin-3-yl)thieno[3,2-d]pyrimidin-4(3H)-one bound to PDE7A | | Descriptor: | 3-ethyl-2-(propan-2-ylamino)-7-(pyridin-3-yl)thieno[3,2-d]pyrimidin-4(3H)-one, High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A, MAGNESIUM ION, ... | | Authors: | Endo, Y, Kawai, K, Asano, T, Amano, S, Asanuma, Y, Sawada, K, Onodera, Y, Ueo, N, Takahashi, N, Sonoda, Y, Kamei, N, Irie, T. | | Deposit date: | 2015-02-09 | | Release date: | 2015-04-08 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | 2-(Isopropylamino)thieno[3,2-d]pyrimidin-4(3H)-one derivatives as selective phosphodiesterase 7 inhibitors with potent in vivo efficacy
Bioorg.Med.Chem.Lett., 25, 2015
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6K9R
 | | Crystal Structure Analysis of Endo-beta-1,4-xylanase II Complexed with Xylotriose | | Descriptor: | Endo-1,4-beta-xylanase 2, IODIDE ION, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose | | Authors: | Li, C, Wan, Q. | | Deposit date: | 2019-06-17 | | Release date: | 2020-07-08 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Studying the Role of a Single Mutation of a Family 11 Glycoside Hydrolase Using High-Resolution X-ray Crystallography.
Protein J., 39, 2020
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6TZW
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7C7Q
 | | Cryo-EM structure of the baclofen/BHFF-bound human GABA(B) receptor in active state | | Descriptor: | (3S)-5,7-ditert-butyl-3-oxidanyl-3-(trifluoromethyl)-1-benzofuran-2-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid type B receptor subunit 1, ... | | Authors: | Mao, C, Shen, C, Li, C, Shen, D, Xu, C, Zhang, S, Zhou, R, Shen, Q, Chen, L, Jiang, Z, Liu, J, Zhang, Y. | | Deposit date: | 2020-05-26 | | Release date: | 2020-07-01 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Cryo-EM structures of inactive and active GABABreceptor.
Cell Res., 30, 2020
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5UHE
 | | Crystal structure of Mycobacterium tuberculosis transcription initiation complex in complex with D-AAP1 | | Descriptor: | DNA (5'-D(*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*CP*AP*GP*G)-3'), DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*G)-3'), DNA-directed RNA polymerase subunit alpha, ... | | Authors: | Lin, W, Das, K, Feng, Y, Ebright, R.H. | | Deposit date: | 2017-01-11 | | Release date: | 2017-04-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (4.039 Å) | | Cite: | Structural Basis of Mycobacterium tuberculosis Transcription and Transcription Inhibition.
Mol. Cell, 66, 2017
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5FYP
 | | Calcium-dependent phosphoinositol-specific phospholipase C from a Gram-negative bacterium, Pseudomonas sp, apo form, crystal form 2 | | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, PHOSPHOINOSITOL-SPECIFIC PHOSPHOLIPASE C, ... | | Authors: | Moroz, O.V, Blagova, E, Lebedev, A.A, Norgaard, A, Segura, D.R, Blicher, T.H, Wilson, K.S. | | Deposit date: | 2016-03-09 | | Release date: | 2017-01-18 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.17 Å) | | Cite: | The structure of a calcium-dependent phosphoinositide-specific phospholipase C from Pseudomonas sp. 62186, the first from a Gram-negative bacterium.
Acta Crystallogr D Struct Biol, 73, 2017
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1QFU
 | | INFLUENZA VIRUS HEMAGGLUTININ COMPLEXED WITH A NEUTRALIZING ANTIBODY | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, PROTEIN (HEMAGGLUTININ (HA1 CHAIN)), ... | | Authors: | Fleury, D, Gigant, B, Bizebard, T, Daniels, R.S, Skehel, J.J, Knossow, M. | | Deposit date: | 1999-04-14 | | Release date: | 1999-04-16 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | A complex of influenza hemagglutinin with a neutralizing antibody that binds outside the virus receptor binding site.
Nat.Struct.Biol., 6, 1999
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7L81
 | | x-ray structure of the psychrobacter cryohalolentis N-acetyltransferase Pcryo_0637 in the presence of coenzyme A and | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, COENZYME A, ... | | Authors: | Linehan, M.P, Thoden, J.B, Holden, H.M. | | Deposit date: | 2020-12-30 | | Release date: | 2021-03-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Characterization of two enzymes from Psychrobacter cryohalolentis that are required for the biosynthesis of an unusual diacetamido-d-sugar.
J.Biol.Chem., 296, 2021
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6QG4
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4Y25
 | | Bacterial polysaccharide outer membrane secretin | | Descriptor: | Poly-beta-1,6-N-acetyl-D-glucosamine export protein | | Authors: | Wang, Y, AndolePannuri, A, Ni, D, Zhou, H, Cao, X, Lu, X, Romeo, T, Huang, Y. | | Deposit date: | 2015-02-09 | | Release date: | 2016-03-16 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.821 Å) | | Cite: | Structural Basis for Translocation of a Biofilm-supporting Exopolysaccharide across the Bacterial Outer Membrane
J.Biol.Chem., 291, 2016
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7C7S
 | | Cryo-EM structure of the CGP54626-bound human GABA(B) receptor in inactive state. | | Descriptor: | (R)-(cyclohexylmethyl)[(2S)-3-{[(1S)-1-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropyl]phosphinic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid type B receptor subunit 1, ... | | Authors: | Mao, C, Shen, C, Li, C, Shen, D, Xu, C, Zhang, S, Zhou, R, Shen, Q, Chen, L, Jiang, Z, Liu, J, Zhang, Y. | | Deposit date: | 2020-05-26 | | Release date: | 2020-07-01 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Cryo-EM structures of inactive and active GABABreceptor.
Cell Res., 30, 2020
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4IXR
 | | RT fs X-ray diffraction of Photosystem II, first illuminated state | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Kern, J, Alonso-Mori, R, Tran, R, Hattne, J, Gildea, R.J, Echols, N, Gloeckner, C, Hellmich, J, Laksmono, H, Sierra, R.G, Lassalle-Kaiser, B, Koroidov, S, Lampe, A, Han, G, Gul, S, DiFiore, D, Milathianaki, D, Fry, A.R, Miahnahri, A, Schafer, D.W, Messerschmidt, M, Seibert, M.M, Koglin, J.E, Sokaras, D, Weng, T.-C, Sellberg, J, Latimer, M.J, Grosse-Kunstleve, R.W, Zwart, P.H, White, W.E, Glatzel, P, Adams, P.D, Bogan, M.J, Williams, G.J, Boutet, S, Messinger, J, Zouni, A, Sauter, N.K, Yachandra, V.K, Bergmann, U, Yano, J. | | Deposit date: | 2013-01-27 | | Release date: | 2013-02-20 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (5.9 Å) | | Cite: | Simultaneous femtosecond X-ray spectroscopy and diffraction of photosystem II at room temperature.
Science, 340, 2013
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8DOF
 | | Pseudomonas aeruginosa MurC with WYH9-2-P - OSA_001044 | | Descriptor: | (2R)-2-cyclohexyl-2-[(4-{[5-(propan-2-yl)-1H-pyrazol-3-yl]amino}-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]ethan-1-ol, 1,2-ETHANEDIOL, SULFATE ION, ... | | Authors: | Horanyi, P.S, Wang, Y, Todd, M.H, Abendroth, J, Edwards, T, Lorimer, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2022-07-13 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Pseudomonas aeruginosa MurC with WYH9-2-P - OSA_001044
To Be Published
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6QFT
 | | Structure of the mitogen activated kinase kinase 7 in complex with pyrazolopyrimidin 1b | | Descriptor: | 1-[(3~{R})-3-(4-azanyl-3-iodanyl-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]propan-1-one, Dual specificity mitogen-activated protein kinase kinase 7 | | Authors: | Wolle, P, Mueller, M.P, Rauh, D. | | Deposit date: | 2019-01-10 | | Release date: | 2019-05-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Characterization of Covalent Pyrazolopyrimidine-MKK7 Complexes and a Report on a Unique DFG-in/Leu-in Conformation of Mitogen-Activated Protein Kinase Kinase 7 (MKK7).
J.Med.Chem., 62, 2019
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6QG7
 | | Structure of the mitogen activated kinase kinase 7 in complex with pyrazolopyrimidine 1k | | Descriptor: | (R)-1-(3-(4-amino-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one, Dual specificity mitogen-activated protein kinase kinase 7 | | Authors: | Wolle, P, Mueller, M.P, Rauh, D. | | Deposit date: | 2019-01-10 | | Release date: | 2019-05-22 | | Last modified: | 2019-06-26 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Characterization of Covalent Pyrazolopyrimidine-MKK7 Complexes and a Report on a Unique DFG-in/Leu-in Conformation of Mitogen-Activated Protein Kinase Kinase 7 (MKK7).
J.Med.Chem., 62, 2019
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4YB0
 | | 3',3'-cGAMP riboswitch bound with c-di-GMP | | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Ren, A.M, Patel, D.J, Rajashankar, R.K. | | Deposit date: | 2015-02-18 | | Release date: | 2015-04-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.121 Å) | | Cite: | Structural Basis for Molecular Discrimination by a 3',3'-cGAMP Sensing Riboswitch.
Cell Rep, 11, 2015
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6QHR
 | | Structure of the mitogen activated kinase kinase 7 in complex with pyrazolopyrimidine 1m | | Descriptor: | 1-[(3~{R})-3-[4-azanyl-3-(1~{H}-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one, Dual specificity mitogen-activated protein kinase kinase 7 | | Authors: | Wolle, P, Mueller, M.P, Rauh, D. | | Deposit date: | 2019-01-17 | | Release date: | 2019-05-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Characterization of Covalent Pyrazolopyrimidine-MKK7 Complexes and a Report on a Unique DFG-in/Leu-in Conformation of Mitogen-Activated Protein Kinase Kinase 7 (MKK7).
J.Med.Chem., 62, 2019
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4QJN
 | | Crystal structure of apo nucleoid associated protein, SAV1473 | | Descriptor: | DNA-binding protein HU | | Authors: | Lee, B.-J, Kim, D.-H, Im, H, Yoon, H.-J. | | Deposit date: | 2014-06-04 | | Release date: | 2014-12-17 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.613 Å) | | Cite: | beta-Arm flexibility of HU from Staphylococcus aureus dictates the DNA-binding and recognition mechanism
Acta Crystallogr.,Sect.D, 70, 2014
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3WLP
 | | Crystal Structure Analysis of Plant Exohydrolase | | Descriptor: | 1-thio-beta-D-glucopyranose-(1-6)-methyl beta-D-glucopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-D-glucan exohydrolase isoenzyme ExoI, ... | | Authors: | Streltsov, V.A, Luang, S, Hrmova, M. | | Deposit date: | 2013-11-12 | | Release date: | 2015-03-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Discovery of processive catalysis by an exo-hydrolase with a pocket-shaped active site.
Nat Commun, 10, 2019
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4QOX
 | | Crystal Structure of CDPK4 from Plasmodium Falciparum, PF3D7_0717500 | | Descriptor: | 3-(3-bromobenzyl)-1-tert-butyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calcium-dependent protein kinase 4, MAGNESIUM ION | | Authors: | Wernimont, A.K, Walker, J.R, Hutchinson, A, Seitova, A, He, H, Loppnau, P, Neculai, M, Amani, M, Lin, Y.H, Ravichandran, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Lovato, D.V, Structural Genomics Consortium (SGC) | | Deposit date: | 2014-06-20 | | Release date: | 2014-09-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.748 Å) | | Cite: | Crystal Structure of CDPK4 from Plasmodium Falciparum, PF3D7_0717500
TO BE PUBLISHED
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4LSP
 | | Crystal structure of broadly and potently neutralizing antibody VRC-CH31 in complex with HIV-1 clade A/E gp120 93TH057 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Zhou, T, Moquin, S, Kwong, P.D. | | Deposit date: | 2013-07-23 | | Release date: | 2013-09-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Multidonor Analysis Reveals Structural Elements, Genetic Determinants, and Maturation Pathway for HIV-1 Neutralization by VRC01-Class Antibodies.
Immunity, 39, 2013
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3WG3
 | | Crystal structure of Agrocybe cylindracea galectin with blood type A antigen tetraose | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Galactoside-binding lectin, ... | | Authors: | Kuwabara, N, Hu, D, Tateno, H, Makio, H, Hirabayashi, J, Kato, R. | | Deposit date: | 2013-07-25 | | Release date: | 2013-11-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Conformational change of a unique sequence in a fungal galectin from Agrocybe cylindracea controls glycan ligand-binding specificity.
Febs Lett., 587, 2013
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7FRG
 | | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with Z31222641 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1, ~{N},~{N},5,6-tetramethylthieno[2,3-d]pyrimidin-4-amine | | Authors: | Mehlman, T, Biel, J, Azeem, S.M, Nelson, E.R, Hossain, S, Dunnett, L.E, Paterson, N.G, Douangamath, A, Talon, R, Axford, D, Orins, H, von Delft, F, Keedy, D.A. | | Deposit date: | 2022-10-24 | | Release date: | 2022-11-23 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B.
Elife, 12, 2023
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4DQO
 | | Crystal Structure of PG16 Fab in Complex with V1V2 Region from HIV-1 strain ZM109 | | Descriptor: | 1FD6-V1V2 scaffold ZM109 HIV-1 strain, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PG16 Fab Heavy Chain, ... | | Authors: | Pancera, M, McLellan, J.S, Kwong, P.D. | | Deposit date: | 2012-02-16 | | Release date: | 2013-03-06 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.438 Å) | | Cite: | Structural basis for diverse N-glycan recognition by HIV-1-neutralizing V1-V2-directed antibody PG16.
Nat.Struct.Mol.Biol., 20, 2013
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1GMN
 | | CRYSTAL STRUCTURES OF NK1-HEPARIN COMPLEXES REVEAL THE BASIS FOR NK1 ACTIVITY AND ENABLE ENGINEERING OF POTENT AGONISTS OF THE MET RECEPTOR | | Descriptor: | 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HEPATOCYTE GROWTH FACTOR | | Authors: | Lietha, D, Chirgadze, D.Y, Mulloy, B, Blundell, T.L, Gherardi, E. | | Deposit date: | 2001-09-19 | | Release date: | 2001-10-02 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structures of Nk1-Heparin Complexes Reveal the Basis for Nk1 Activity and Enable Engineering of Potent Agonists of the met Receptor
Embo J., 20, 2001
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