2AJD
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![BU of 2ajd by Molmil](/molmil-images/mine/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
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![BU of 2ajc by Molmil](/molmil-images/mine/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
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![BU of 1u19 by Molmil](/molmil-images/mine/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
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![BU of 5wsv by Molmil](/molmil-images/mine/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
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![BU of 5lzb by Molmil](/molmil-images/mine/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
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![BU of 5m4s by Molmil](/molmil-images/mine/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
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![BU of 6d2b by Molmil](/molmil-images/mine/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
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![BU of 1ywn by Molmil](/molmil-images/mine/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
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![BU of 3fuo by Molmil](/molmil-images/mine/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
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![BU of 2eax by Molmil](/molmil-images/mine/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
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![BU of 1xqc by Molmil](/molmil-images/mine/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
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![BU of 5m6u by Molmil](/molmil-images/mine/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
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![BU of 5mdz by Molmil](/molmil-images/mine/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
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![BU of 6hhg by Molmil](/molmil-images/mine/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
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![BU of 5mke by Molmil](/molmil-images/mine/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
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![BU of 5wst by Molmil](/molmil-images/mine/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
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![BU of 1xz9 by Molmil](/molmil-images/mine/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
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![BU of 5wp1 by Molmil](/molmil-images/mine/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
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![BU of 2e5d by Molmil](/molmil-images/mine/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
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![BU of 5wwv by Molmil](/molmil-images/mine/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
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![BU of 6c0n by Molmil](/molmil-images/mine/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
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![BU of 7wvz by Molmil](/molmil-images/mine/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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