2AJD
 
 | | Porcine dipeptidyl peptidase IV (CD26) in complex with L-Pro-boro-L-Pro (boroPro) | | Descriptor: | (2R)-N-[(2R)-2-(DIHYDROXYBORYL)-1-L-PROLYLPYRROLIDIN-2-YL]-N-[(5R)-5-(DIHYDROXYBORYL)-1-L-PROLYLPYRROLIDIN-2-YL]-L-PROLINAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Engel, M, Hoffmann, T, Manhart, S, Heiser, U, Chambre, S, Huber, R, Demuth, H.U, Bode, W. | | Deposit date: | 2005-08-01 | | Release date: | 2006-02-28 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Rigidity and flexibility of dipeptidyl peptidase IV: crystal structures of and docking experiments with DPIV.
J.Mol.Biol., 355, 2006
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2AJC
 | | Porcine dipeptidyl peptidase IV (CD26) in complex with 4-(2-Aminoethyl)-benzene sulphonyl fluoride (AEBSF) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, ... | | Authors: | Engel, M, Hoffmann, T, Manhart, S, Heiser, U, Chambre, S, Huber, R, Demuth, H.U, Bode, W. | | Deposit date: | 2005-08-01 | | Release date: | 2006-02-28 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Rigidity and flexibility of dipeptidyl peptidase IV: crystal structures of and docking experiments with DPIV.
J.Mol.Biol., 355, 2006
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5M3X
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3DIS
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1U19
 | | Crystal Structure of Bovine Rhodopsin at 2.2 Angstroms Resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HEPTANE-1,2,3-TRIOL, MERCURY (II) ION, ... | | Authors: | Okada, T, Sugihara, M, Bondar, A.N, Elstner, M, Entel, P, Buss, V. | | Deposit date: | 2004-07-15 | | Release date: | 2004-10-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The retinal conformation and its environment in rhodopsin in light of a new 2.2 A crystal structure
J.Mol.Biol., 342, 2004
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5WSV
 | | Crystal structure of Myosin VIIa IQ5 in complex with Ca2+-CaM | | Descriptor: | CALCIUM ION, Calmodulin, SULFATE ION, ... | | Authors: | Li, J, Chen, Y, Deng, Y, Lu, Q, Zhang, M. | | Deposit date: | 2016-12-08 | | Release date: | 2017-06-07 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Ca(2+)-Induced Rigidity Change of the Myosin VIIa IQ Motif-Single alpha Helix Lever Arm Extension
Structure, 25, 2017
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5LZB
 | | Structure of SelB-Sec-tRNASec bound to the 70S ribosome in the initial binding state (IB) | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Fischer, N, Neumann, P, Bock, L.V, Maracci, C, Wang, Z, Paleskava, A, Konevega, A.L, Schroeder, G.F, Grubmueller, H, Ficner, R, Rodnina, M.V, Stark, H. | | Deposit date: | 2016-09-29 | | Release date: | 2016-11-23 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (5.3 Å) | | Cite: | The pathway to GTPase activation of elongation factor SelB on the ribosome.
Nature, 540, 2016
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5M4S
 | | Transcription factor TFIIA as a single chain protein | | Descriptor: | Transcription initiation factor IIA subunit 2,Transcription initiation factor IIA subunit 1,Transcription initiation factor IIA subunit 1 | | Authors: | Kandiah, E, Gupta, K. | | Deposit date: | 2016-10-19 | | Release date: | 2017-11-29 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Architecture of TAF11/TAF13/TBP complex suggests novel regulation properties of general transcription factor TFIID.
Elife, 6, 2017
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6D2B
 | | HLA-B*57:01 presenting LSDSTARDVTW | | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-57 alpha chain, ... | | Authors: | Vivian, J.P, Rossjohn, J. | | Deposit date: | 2018-04-13 | | Release date: | 2018-10-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | A subset of HLA-I peptides are not genomically templated: Evidence for cis- and trans-spliced peptide ligands.
Sci Immunol, 3, 2018
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1YWN
 | | Vegfr2 in complex with a novel 4-amino-furo[2,3-d]pyrimidine | | Descriptor: | N-{4-[4-AMINO-6-(4-METHOXYPHENYL)FURO[2,3-D]PYRIMIDIN-5-YL]PHENYL}-N'-[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]UREA, Vascular endothelial growth factor receptor 2 | | Authors: | Miyazaki, Y, Matsunaga, S, Tang, J, Maeda, Y, Nakano, M, Philippe, R.J, Shibahara, M, Liu, W, Sato, H, Wang, L, Nolte, R.T. | | Deposit date: | 2005-02-18 | | Release date: | 2005-08-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Novel 4-amino-furo[2,3-d]pyrimidines as Tie-2 and VEGFR2 dual inhibitors
Bioorg.Med.Chem.Lett., 15, 2005
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3FUO
 | | The Crystal structure of receptor binding domain of botulinum neurotoxin serotype A | | Descriptor: | Botulinum neurotoxin type A | | Authors: | Fu, Z, Chen, C, Barbieri, J.T, Kim, J.-J.P, Baldwin, M.R. | | Deposit date: | 2009-01-14 | | Release date: | 2009-06-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Glycosylated SV2 and gangliosides as dual receptors for botulinum neurotoxin serotype F
Biochemistry, 48, 2009
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2EAX
 | | Crystal structure of human PGRP-IBETAC in complex with glycosamyl muramyl pentapeptide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-methyl 2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranoside, GLYCOSAMYL MURAMYL PENTAPEPTIDE, Peptidoglycan recognition protein-I-beta | | Authors: | Cho, S. | | Deposit date: | 2007-02-03 | | Release date: | 2007-10-02 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural insights into the bactericidal mechanism of human peptidoglycan recognition proteins
Proc.Natl.Acad.Sci.Usa, 104, 2007
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1XQC
 | | X-ray structure of ERalpha LBD bound to a tetrahydroisoquinoline SERM ligand at 2.05A resolution | | Descriptor: | (1S)-1-{4-[(9AR)-OCTAHYDRO-2H-PYRIDO[1,2-A]PYRAZIN-2-YL]PHENYL}-2-PHENYL-1,2,3,4-TETRAHYDROISOQUINOLIN-6-OL, Estrogen receptor | | Authors: | Renaud, J, Bischoff, S.F, Buhl, T, Floersheim, P, Fournier, B, Geiser, M, Halleux, C, Kallen, J, Keller, H.J, Ramage, P. | | Deposit date: | 2004-10-12 | | Release date: | 2005-02-01 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Selective Estrogen Receptor Modulators with Conformationally Restricted Side Chains. Synthesis and Structure-Activity Relationship of ERalpha-Selective Tetrahydroisoquinoline Ligands
J.Med.Chem., 48, 2005
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5M6U
 | | HUMAN PI3KDELTA IN COMPLEX WITH LASW1579 | | Descriptor: | 4-azanyl-6-[[(1~{S})-1-(4-oxidanylidene-3-phenyl-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Segarra, V, Hernandez, B, Lozoya, E, Blaesse, M, Hoeppner, S, Jestel, A. | | Deposit date: | 2016-10-26 | | Release date: | 2017-02-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Discovery of a Potent, Selective, and Orally Available PI3K delta Inhibitor for the Treatment of Inflammatory Diseases.
ACS Med Chem Lett, 8, 2017
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5MDZ
 | | Structure of the 70S ribosome (empty A site) | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | James, N.R, Brown, A, Gordiyenko, Y, Ramakrishnan, V. | | Deposit date: | 2016-11-13 | | Release date: | 2016-12-14 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Translational termination without a stop codon.
Science, 354, 2016
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6HHG
 | | Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor 27 | | Descriptor: | RAC-alpha serine/threonine-protein kinase, ~{N}-[2-chloranyl-5-[[1-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]carbamoylamino]phenyl]propanamide | | Authors: | Landel, I, Weisner, J, Mueller, M.P, Scheinpflug, R, Rauh, D. | | Deposit date: | 2018-08-28 | | Release date: | 2019-02-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and chemical insights into the covalent-allosteric inhibition of the protein kinase Akt.
Chem Sci, 10, 2019
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5MKE
 | | cryoEM Structure of Polycystin-2 in complex with cations and lipids | | Descriptor: | 1,2-DIPALMITOYL-SN-GLYCERO-3-PHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Wilkes, M, Madej, M.G, Ziegler, C. | | Deposit date: | 2016-12-04 | | Release date: | 2017-01-18 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Molecular insights into lipid-assisted Ca(2+) regulation of the TRP channel Polycystin-2.
Nat. Struct. Mol. Biol., 24, 2017
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5WST
 | | Crystal structure of Myo7a SAH | | Descriptor: | Unconventional myosin-VIIa | | Authors: | Li, J, Chen, Y, Deng, Y, Lu, Q, Zhang, M. | | Deposit date: | 2016-12-08 | | Release date: | 2017-06-07 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Ca(2+)-Induced Rigidity Change of the Myosin VIIa IQ Motif-Single alpha Helix Lever Arm Extension
Structure, 25, 2017
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1XZ9
 | | Structure of AF-6 PDZ domain | | Descriptor: | Afadin | | Authors: | Joshi, M, Boisguerin, P, Leitner, D, Volkmer-Engert, R, Moelling, K, Schade, M, Schmieder, P, Krause, G, Oschkinat, H. | | Deposit date: | 2004-11-12 | | Release date: | 2005-11-15 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Discovery of low-molecular-weight ligands for the AF6 PDZ domain.
Angew.Chem.Int.Ed.Engl., 45, 2006
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5WP1
 | | Complex of ERK2 with 5,7-dihydroxychromone | | Descriptor: | 5,7-dihydroxy-4H-1-benzopyran-4-one, BENZOIC ACID, Mitogen-activated protein kinase 1, ... | | Authors: | Kurinov, I, Malakhova, M. | | Deposit date: | 2017-08-03 | | Release date: | 2018-08-08 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Multiple phytochemicals at low doses accumulatively inhibit one key protein in cancers
To Be Published
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6C4I
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2E5D
 | | Crystal structure of Human NMPRTase complexed with nicotinamide | | Descriptor: | NICOTINAMIDE, Nicotinamide phosphoribosyltransferase | | Authors: | Takahashi, R, Nakamura, S, Kobayashi, Y, Ohkubo, T. | | Deposit date: | 2006-12-20 | | Release date: | 2007-12-25 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure and reaction mechanism of human nicotinamide phosphoribosyltransferase
J.Biochem., 147, 2010
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5WWV
 | | Crystal structure of porcine kidney D-amino acid oxidase mutant (I230A/R283G) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, (S)-(4-chlorophenyl)-phenyl-methanamine, D-amino-acid oxidase, ... | | Authors: | Motojima, F, Yasukawa, K, Ohno, A, Asano, Y. | | Deposit date: | 2017-01-05 | | Release date: | 2018-01-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Tailoring D-amino acid oxidase from the pid kidney to R-stereoselective amine oxidase and its use in the deracemization of 4-chlorobenzhydrylamine
To Be Published
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6C0N
 | | Crystal structure of HIV-1 reverse transcriptase in complex with non-nucleoside inhibitor 25a | | Descriptor: | 1,2-ETHANEDIOL, 4-({4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]piperidin-1-yl}methyl)benzene-1-sulfonamide, DIMETHYL SULFOXIDE, ... | | Authors: | Yang, Y, Nguyen, L.A, Smithline, Z.B, Steitz, T.A. | | Deposit date: | 2018-01-01 | | Release date: | 2018-08-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | Structural basis for potent and broad inhibition of HIV-1 RT by thiophene[3,2-d]pyrimidine non-nucleoside inhibitors.
Elife, 7, 2018
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7WVZ
 | | CalA3_modular PKS_KS-AT-DH-KR | | Descriptor: | Beta-ketoacyl-acyl-carrier-protein synthase I | | Authors: | Wang, J, Wang, Z. | | Deposit date: | 2022-02-12 | | Release date: | 2023-02-22 | | Last modified: | 2023-10-11 | | Method: | ELECTRON MICROSCOPY (3.38 Å) | | Cite: | C-N bond formation by a polyketide synthase.
Nat Commun, 14, 2023
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