8K0M
 
 | Human collagen prolyl processing enzyme complex, P3H1/CRTAP/PPIB heterotrimer, bound to 2-oxoglutarate | Descriptor: | 2-OXOGLUTARIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Cartilage-associated protein, ... | Authors: | Li, W, Peng, J, Yao, D, Rao, B, Xia, Y, Wang, Q, Li, S, Cao, M, Shen, Y, Ma, P, Liao, R, Qin, A, Zhao, J, Cao, Y. | Deposit date: | 2023-07-09 | Release date: | 2024-09-18 | Last modified: | 2024-10-23 | Method: | ELECTRON MICROSCOPY (3.17 Å) | Cite: | The structural basis for the collagen processing by human P3H1/CRTAP/PPIB ternary complex. Nat Commun, 15, 2024
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8K0F
 
 | Human collagen prolyl processing enzyme complex, P3H1/CRTAP/PPIB heterotrimer, in its apo state | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cartilage-associated protein, FE (III) ION, ... | Authors: | Li, W, Peng, J, Yao, D, Rao, B, Xia, Y, Wang, Q, Li, S, Cao, M, Shen, Y, Ma, P, Liao, R, Qin, A, Zhao, J, Cao, Y. | Deposit date: | 2023-07-08 | Release date: | 2024-09-18 | Last modified: | 2024-10-23 | Method: | ELECTRON MICROSCOPY (3.37 Å) | Cite: | The structural basis for the collagen processing by human P3H1/CRTAP/PPIB ternary complex. Nat Commun, 15, 2024
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8K17
 
 | Human collagen prolyl processing enzyme complex, P3H1/CRTAP/PPIB heterotrimer, bound to collagen alpha-1(I) chain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cartilage-associated protein, FE (III) ION, ... | Authors: | Li, W, Peng, J, Yao, D, Rao, B, Xia, Y, Wang, Q, Li, S, Cao, M, Shen, Y, Ma, P, Liao, R, Qin, A, Zhao, J, Cao, Y. | Deposit date: | 2023-07-10 | Release date: | 2024-09-18 | Last modified: | 2024-11-13 | Method: | ELECTRON MICROSCOPY (3.18 Å) | Cite: | The structural basis for the collagen processing by human P3H1/CRTAP/PPIB ternary complex. Nat Commun, 15, 2024
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8W5T
 
 | Cryo-EM structure of Qb-Ab57 | Descriptor: | Heavy chain of Ab57, Light chain of Ab57, Minor capsid protein A1 | Authors: | Bao, K.Y, Li, R.H, Hua, Z.L, Zhu, P. | Deposit date: | 2023-08-27 | Release date: | 2025-02-26 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Competition propels, rather than limits, the success of low-affinity B cells in the germinal center response. Cell Rep, 44, 2025
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7JYU
 
 | Crystal Structure of HLA-A*2402 in complex with IYFSPIRVTF, an 10-mer epitope from Influenza B virus | Descriptor: | Beta-2-microglobulin, MAGNESIUM ION, MHC class I antigen, ... | Authors: | Nguyen, A.T, Szeto, C, Rossjohn, J, Gras, S. | Deposit date: | 2020-09-01 | Release date: | 2021-04-14 | Last modified: | 2024-11-20 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | CD8 + T cell landscape in Indigenous and non-Indigenous people restricted by influenza mortality-associated HLA-A*24:02 allomorph. Nat Commun, 12, 2021
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4RVM
 
 | CHK1 kinase domain with diazacarbazole compound 19 | Descriptor: | 3-[4-(piperidin-1-ylmethyl)phenyl]-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile, Serine/threonine-protein kinase Chk1 | Authors: | Gazzard, L, Blackwood, E, Burton, B, Chapman, K, Chen, H, Crackett, P, Drobnick, J, Ellwood, C, Epler, J, Flagella, M, Goodacre, S, Halladay, J, Hunt, H, Kintz, S, Lyssikatos, J, MacLeod, C, Ramiscal, S, Schmidt, S, Seward, E, Wiesmann, C, Williams, K, Wu, P, Yee, S, Yen, I, Malek, S. | Deposit date: | 2014-11-26 | Release date: | 2015-06-03 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Mitigation of Acetylcholine Esterase Activity in the 1,7-Diazacarbazole Series of Inhibitors of Checkpoint Kinase 1. J.Med.Chem., 58, 2015
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8YMJ
 
 | Cryo-EM structure of Hepatitis B virus surface antigen subviral particle with D2 symmetry | Descriptor: | Isoform S of Large envelope protein | Authors: | Wang, T, Cao, L, Mu, A, Wang, Q, Rao, Z.H. | Deposit date: | 2024-03-09 | Release date: | 2024-09-18 | Last modified: | 2024-10-09 | Method: | ELECTRON MICROSCOPY (6.6 Å) | Cite: | Inherent symmetry and flexibility in hepatitis B virus subviral particles. Science, 385, 2024
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8KC9
 
 | Human collagen prolyl processing enzyme complex, P3H1/CRTAP/PPIB heterotrimer, bound to cyclosporin A | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cartilage-associated protein, DSN-MLE-MLE-MVA-BMT-ABA-SAR-MLE-VAL-MLE-ALA, ... | Authors: | Li, W, Peng, J, Yao, D, Rao, B, Xia, Y, Wang, Q, Li, S, Cao, M, Shen, Y, Ma, P, Liao, R, Qin, A, Zhao, J, Cao, Y. | Deposit date: | 2023-08-06 | Release date: | 2024-09-18 | Method: | ELECTRON MICROSCOPY (3.75 Å) | Cite: | The structural basis for the collagen processing by human P3H1/CRTAP/PPIB ternary complex. Nat Commun, 15, 2024
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1BDK
 
 | AN NMR, CD, MOLECULAR DYNAMICS, AND FLUOROMETRIC STUDY OF THE CONFORMATION OF THE BRADYKININ ANTAGONIST B-9340 IN WATER AND IN AQUEOUS MICELLAR SOLUTIONS | Descriptor: | bradykinin antagonist B-9340 | Authors: | Sejbal, J, Kotovych, G, Cann, J.R, Stewart, J.M, Gera, L. | Deposit date: | 1995-07-28 | Release date: | 1995-12-07 | Last modified: | 2024-06-05 | Method: | SOLUTION NMR | Cite: | An NMR, CD, molecular dynamics, and fluorometric study of the conformation of the bradykinin antagonist B-9340 in water and in aqueous micellar solutions. J.Med.Chem., 39, 1996
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4P5Q
 
 | Human EphA3 Kinase domain in complex with quinoxaline derivatives | Descriptor: | 2-amino-1-(2-chlorophenyl)-N-(3-ethoxypropyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide, Ephrin type-A receptor 3 | Authors: | Dong, J, Caflisch, A. | Deposit date: | 2014-03-19 | Release date: | 2014-08-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Pyrrolo[3,2-b]quinoxaline Derivatives as Types I1/2 and II Eph Tyrosine Kinase Inhibitors: Structure-Based Design, Synthesis, and in Vivo Validation. J.Med.Chem., 57, 2014
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4P4C
 
 | Human EphA3 Kinase domain in complex with quinoxaline derivatives | Descriptor: | 2-amino-1-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide, EPH receptor A3 | Authors: | Dong, J, Caflisch, A. | Deposit date: | 2014-03-12 | Release date: | 2014-08-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.599 Å) | Cite: | Pyrrolo[3,2-b]quinoxaline Derivatives as Types I1/2 and II Eph Tyrosine Kinase Inhibitors: Structure-Based Design, Synthesis, and in Vivo Validation. J.Med.Chem., 57, 2014
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6B8R
 
 | Crystal structure of Staphylococcal nuclease variant Delta+PHS V23K/L36Q at cryogenic temperature | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | Authors: | Robinson, A.C, Schlessman, J.L, Garcia-Moreno E, B, Benning, M. | Deposit date: | 2017-10-09 | Release date: | 2017-10-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Dielectric Properties of a Protein Probed by Reversal of a Buried Ion Pair. J Phys Chem B, 122, 2018
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5X4O
 
 | Crystal structure of the BCL6 BTB domain in complex with Compound 5 | Descriptor: | B-cell lymphoma 6 protein, N-methyl-N-{3-[({2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)methyl]pyridin-2-yl}methanesulfonamide | Authors: | Sogabe, S, Ida, K, Lane, W, Snell, G. | Deposit date: | 2017-02-13 | Release date: | 2017-05-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Discovery of a B-Cell Lymphoma 6 Protein-Protein Interaction Inhibitor by a Biophysics-Driven Fragment-Based Approach J. Med. Chem., 60, 2017
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6AMF
 
 | Crystal structure of Staphylococcal nuclease variant Delta+PHS V23K/L36E at cryogenic temperature | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | Authors: | Robinson, A.C, Schlessman, J.L, Garcia-Moreno E, B. | Deposit date: | 2017-08-09 | Release date: | 2017-09-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Dielectric Properties of a Protein Probed by Reversal of a Buried Ion Pair. J Phys Chem B, 122, 2018
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1P6S
 
 | Solution Structure of the Pleckstrin Homology Domain of Human Protein Kinase B beta (Pkb/Akt) | Descriptor: | RAC-beta serine/threonine protein kinase | Authors: | Auguin, D, Barthe, P, Auge-Senegas, M.T, Stern, M.H, Noguchi, M, Roumestand, C. | Deposit date: | 2003-04-30 | Release date: | 2004-05-18 | Last modified: | 2024-11-06 | Method: | SOLUTION NMR | Cite: | Solution structure and backbone dynamics of the pleckstrin homology domain of the human
protein kinase B (PKB/Akt). Interaction with inositol phosphates. J.BIOMOL.NMR, 28, 2004
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1P9F
 
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1CIM
 
 | THE POSITIONS OF HIS-64 AND A BOUND WATER IN HUMAN CARBONIC ANHYDRASE II UPON BINDING THREE STRUCTURALLY RELATED INHIBITORS | Descriptor: | (4S-TRANS)-4-(AMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO (2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE, CARBONIC ANHYDRASE II, METHYL MERCURY ION, ... | Authors: | Smith, G.M, Alexander, R.S, Christianson, D.W, Mckeever, B.M, Ponticello, G.S, Springer, J.P, Randall, W.C, Baldwin, J.J, Habecker, C.N. | Deposit date: | 1993-10-20 | Release date: | 1994-01-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Positions of His-64 and a bound water in human carbonic anhydrase II upon binding three structurally related inhibitors. Protein Sci., 3, 1994
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5EA6
 
 | Crystal Structure of Inhibitor BTA-9881 in Complex with Prefusion RSV F Glycoprotein | Descriptor: | (9~{b}~{R})-9~{b}-(4-chlorophenyl)-1-pyridin-3-ylcarbonyl-2,3-dihydroimidazo[5,6]pyrrolo[1,2-~{a}]pyridin-5-one, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Fusion glycoprotein F0, ... | Authors: | Battles, M.B, McLellan, J.S, Arnoult, E, Roymans, D, Langedijk, J.P. | Deposit date: | 2015-10-15 | Release date: | 2015-12-09 | Last modified: | 2024-11-20 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Molecular mechanism of respiratory syncytial virus fusion inhibitors. Nat.Chem.Biol., 12, 2016
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5N16
 
 | First Bromodomain (BD1) from Candida albicans Bdf1 bound to a dibenzothiazepinone (compound 1) | Descriptor: | 5-cyclopropyl-2-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)benzo[b][1,4]benzothiazepin-6-one, Bromodomain-containing factor 1, GLYCEROL, ... | Authors: | Mietton, F, Ferri, E, Champleboux, M, Zala, N, Maubon, D, Zhou, Y, Harbut, M, Spittler, D, Garnaud, C, Courcon, M, Chauvel, M, d'Enfert, C, Kashemirov, B.A, Hull, M, Cornet, M, McKenna, C.E, Govin, J, Petosa, C. | Deposit date: | 2017-02-05 | Release date: | 2017-05-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Selective BET bromodomain inhibition as an antifungal therapeutic strategy. Nat Commun, 8, 2017
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7PH1
 
 | Trypsin in complex with BPTI mutant (2S)-2-amino-4-monofluorobutanoic acid | Descriptor: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | Authors: | Dimos, N, Leppkes, J, Koksch, B, Loll, B. | Deposit date: | 2021-08-16 | Release date: | 2022-03-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Water Network in the Binding Pocket of Fluorinated BPTI-Trypsin Complexes─Insights from Simulation and Experiment. J.Phys.Chem.B, 126, 2022
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9BDE
 
 | Middle Region of Apolipoprotein B 100 bound to Low Density Lipoprotein Receptor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ApoB100 nanobody 4, Apolipoprotein B 100, ... | Authors: | Dearborn, A.D, Reimund, M, Graziano, G, Lei, H, Kumar, A, Neufeld, E.B, Remaley, A.T, Marcotrigiano, J. | Deposit date: | 2024-04-11 | Release date: | 2024-12-25 | Last modified: | 2025-03-05 | Method: | ELECTRON MICROSCOPY (4.18 Å) | Cite: | Structure of apolipoprotein B100 bound to the low-density lipoprotein receptor. Nature, 638, 2025
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6YXM
 
 | Crystal structure of ACPA 1F2 in complex with CII-C-39-CIT | Descriptor: | ACPA 1F2 Fab fragment - heavy chain, ACPA 1F2 Fab fragment - light chain, CII-C-39-CIT, ... | Authors: | Ge, C, Holmdahl, R. | Deposit date: | 2020-05-03 | Release date: | 2021-05-12 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Surface Ig variable domain glycosylation affects autoantigen binding and acts as threshold for human autoreactive B cell activation. Sci Adv, 8, 2022
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5E9X
 
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6ME9
 
 | XFEL crystal structure of human melatonin receptor MT2 in complex with ramelteon | Descriptor: | N-{2-[(8S)-1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl]ethyl}propanamide, Soluble cytochrome b562,Melatonin receptor type 1B,Rubredoxin, ZINC ION | Authors: | Johansson, L.C, Stauch, B, McCorvy, J, Han, G.W, Patel, N, Batyuk, A, Gati, C, Li, C, Grandner, J, Hao, S, Olsen, R.H.J, Tribo, A.R, Zaare, S, Zhu, L, Zatsepin, N.A, Weierstall, U, Liu, W, Roth, B.L, Katritch, V, Cherezov, V. | Deposit date: | 2018-09-05 | Release date: | 2019-04-24 | Last modified: | 2024-10-30 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | XFEL structures of the human MT2melatonin receptor reveal the basis of subtype selectivity. Nature, 569, 2019
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5QU0
 
 | TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH 6-[4-(3-CHLORO-4-FLUOROPHENYL)-1-(2-HYDROXYETHYL)-1H-IMIDAZOL-5-YL]IMIDAZO[1,2-B]PYRIDAZINE-3-CARBONITRILE | Descriptor: | 6-[4-(3-chloro-4-fluorophenyl)-1-(2-hydroxyethyl)-1H-imidazol-5-yl]imidazo[1,2-b]pyridazine-3-carbonitrile, GLYCEROL, TGF-beta receptor type-1 | Authors: | Sheriff, S. | Deposit date: | 2019-11-19 | Release date: | 2020-02-05 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Discovery of BMS-986260, a Potent, Selective, and Orally Bioavailable TGF beta R1 Inhibitor as an Immuno-oncology Agent. Acs Med.Chem.Lett., 11, 2020
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