9MHE
 
 | | Native tagless Lassa virus spike complex bound to ARN-75039 at pH 8.0 | | Descriptor: | (4S)-3-(4-tert-butoxyphenyl)-7-methyl-6-{4-[(propan-2-yl)oxy]phenyl}imidazo[1,2-a]pyridine, 12.1F Heavy chain, 12.1F Light chain, ... | | Authors: | Cohen-Dvashi, H, Katz, M, Diskin, R. | | Deposit date: | 2024-12-11 | | Release date: | 2025-08-27 | | Last modified: | 2025-09-24 | | Method: | ELECTRON MICROSCOPY (2.01 Å) | | Cite: | pH-induced conformational changes and inhibition of the Lassa virus spike complex.
Cell Host Microbe, 33, 2025
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9F0M
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4UNR
 | | Mtb TMK in complex with compound 23 | | Descriptor: | 4-[3-cyano-2-oxo-7-(1H-pyrazol-4-yl)-5,6-dihydro-1H-benzo[h]quinolin-4-yl]benzoic acid, MAGNESIUM ION, Thymidylate kinase | | Authors: | Read, J.A, Hussein, S, Gingell, H, Tucker, J. | | Deposit date: | 2014-05-30 | | Release date: | 2015-06-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors.
J.Med.Chem., 58, 2015
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5NBS
 | | Structural studies of a Glycoside Hydrolase Family 3 beta-glucosidase from the Model Fungus Neurospora crassa | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-glucosidase, ... | | Authors: | Gudmundsson, M, Karkehabadi, S, Kaper, T, Sandgren, M. | | Deposit date: | 2017-03-02 | | Release date: | 2018-03-21 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural studies of a glycoside hydrolase family 3 beta-glucosidase from the model fungus Neurospora crassa.
Acta Crystallogr F Struct Biol Commun, 74, 2018
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1WHS
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4UOE
 | | Crystal Structure of Plasmodium Falciparum Spermidine Synthase in Complex with 5'-Deoxy-5'-Methylioadenosine and 4-Aminomethylaniline | | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 4-(aminomethyl)aniline, 5'-DEOXY-5'-METHYLTHIOADENOSINE, ... | | Authors: | Sprenger, J, Halander, J.C, Svensson, B, Al-Karadaghi, S, Person, L. | | Deposit date: | 2014-06-03 | | Release date: | 2014-10-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Three-Dimensional Structures of Plasmodium Falciparum Spermidine Synthase with Bound Inhibitors Suggest New Strategies for Drug Design.
Acta Crystallogr.,Sect.D, 71, 2015
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8XAL
 | | Cryo-EM structure of SARS-CoV-2 S-BQ.1 in complex with ACE2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2,Green fluorescent protein (Fragment), ... | | Authors: | Hsu, H.F, Wu, M.H, Chang, Y.C, Hsu, S.T.D. | | Deposit date: | 2023-12-04 | | Release date: | 2025-01-22 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Functional and structural investigation of a broadly neutralizing SARS-CoV-2 antibody.
JCI Insight, 9, 2024
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6I80
 | | Crystal Structure of the second bromodomain of BRD2 in complex with RT53 | | Descriptor: | 1,2-ETHANEDIOL, 2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-1-[4-(dimethylamino)piperidin-1-yl]ethanone, Bromodomain-containing protein 2 | | Authors: | Picaud, S, Traquete, R, Bernardes, G.J.L, Newman, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Filippakopoulos, P, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-11-19 | | Release date: | 2019-11-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.14 Å) | | Cite: | Crystal Structure of the second bromodomain of BRD2 in complex with RT53
To Be Published
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4UN4
 | | Crystal structure of Cas9 bound to PAM-containing DNA target with mismatches at positions 1-2 | | Descriptor: | CRISPR-ASSOCIATED ENDONUCLEASE CAS9/CSN1, MAGNESIUM ION, NON-TARGET DNA STRAND, ... | | Authors: | Anders, C, Niewoehner, O, Duerst, A, Jinek, M. | | Deposit date: | 2014-05-25 | | Release date: | 2014-07-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.371 Å) | | Cite: | Structural Basis of Pam-Dependent Target DNA Recognition by the Cas9 Endonuclease
Nature, 513, 2014
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4ZCJ
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9E41
 | | Asymmetric unit of yPOWV | | Descriptor: | 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, E glycoprotein, Membrane Protei, ... | | Authors: | Das, S, Hafenstein, S. | | Deposit date: | 2024-10-24 | | Release date: | 2025-07-16 | | Last modified: | 2025-07-23 | | Method: | ELECTRON MICROSCOPY (2.83 Å) | | Cite: | Atomic-resolution structure of a chimeric Powassan tick-borne flavivirus.
Sci Adv, 11, 2025
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9E3S
 | | Tricomplex of RMC-9945, KRAS G12N, and CypA | | Descriptor: | (2R)-2-{(5S)-7-[(2R,3R)-3-cyclopropyl-1-methylaziridine-2-carbonyl]-2,7-diazaspiro[4.4]nonan-2-yl}-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1R)-1-methoxyethyl]pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-21-(2,2,2-trifluoroethyl)-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-methylbutanamide (non-preferred name), CHLORIDE ION, GLYCEROL, ... | | Authors: | Zhang, D, Bar Ziv, T, Knox, J.E, Yano, J.K. | | Deposit date: | 2024-10-23 | | Release date: | 2025-07-23 | | Last modified: | 2025-08-06 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | A neomorphic protein interface catalyzes covalent inhibition of RAS G12D aspartic acid in tumors.
Science, 389, 2025
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4UDD
 | | GR in complex with desisobutyrylciclesonide | | Descriptor: | 1,2-ETHANEDIOL, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, DESISOBUYTYRYL CICLESONIDE, ... | | Authors: | Edman, K, Hogner, A, Hussein, A, Bjursell, M, Aagaard, A, Backstrom, S, Bodin, C, Wissler, L, Jellesmark-Jensen, T, Cavallin, A, Karlsson, U, Nilsson, E, Lecina, D, Takahashi, R, Grebner, C, Lepisto, M, Guallar, V. | | Deposit date: | 2014-12-09 | | Release date: | 2015-11-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Ligand Binding Mechanism in Steroid Receptors: From Conserved Plasticity to Differential Evolutionary Constraints.
Structure, 23, 2015
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4UEZ
 | | Crystal structure of the human CARBOXYPEPTIDASE A1 in complex with the PHOSPHINIC INHIBITOR Acetyl-Leu-Phe-Y(PO2CH2)-Phe-OH | | Descriptor: | (2S)-3-[(R)-{(1R)-1-[(N-acetyl-L-leucyl)amino]-2-phenylethyl}(hydroxy)phosphoryl]-2-benzylpropanoic acid, HUMAN CARBOXYPEPTIDASE A1, ZINC ION | | Authors: | Gallego, P, Covaleda, G, Costenaro, L, Devel, L, Dive, V, Aviles, F.X, Reverter, D. | | Deposit date: | 2014-12-22 | | Release date: | 2016-01-20 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Crystal Structure of the Human Carboxypeptidase A1 in Complex with Phosphinic Inhibitors
To be Published
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9EJF
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4UMQ
 | | Structure of MELK in complex with inhibitors | | Descriptor: | 3-{5-[(3-hydroxy-5-methoxyphenyl)amino]-2-(phenylcarbamoyl)phenoxy}propan-1-aminium, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE | | Authors: | Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M. | | Deposit date: | 2014-05-20 | | Release date: | 2014-10-08 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Fragment-Based Discovery of Type I Inhibitors of Maternal Embryonic Leucine Zipper Kinase
Acs Med.Chem.Lett., 6, 2015
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3W81
 | | Human alpha-l-iduronidase | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-L-iduronidase, ... | | Authors: | Maita, N, Tsukimura, T, Taniguchi, T, Saito, S, Ohno, K, Taniguchi, H, Sakuraba, H. | | Deposit date: | 2013-03-11 | | Release date: | 2013-08-21 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Human alpha-L-iduronidase uses its own N-glycan as a substrate-binding and catalytic module
Proc.Natl.Acad.Sci.USA, 110, 2013
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7W39
 | | Structure of USP14-bound human 26S proteasome in state EA2.1_UBL | | Descriptor: | 26S protease regulatory subunit 4, 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B, ... | | Authors: | Zhang, S, Zou, S, Yin, D, Wu, Z, Mao, Y. | | Deposit date: | 2021-11-25 | | Release date: | 2022-05-04 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | USP14-regulated allostery of the human proteasome by time-resolved cryo-EM.
Nature, 605, 2022
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3C9E
 | | Crystal structure of the cathepsin K : chondroitin sulfate complex. | | Descriptor: | 2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid, CALCIUM ION, Cathepsin K, ... | | Authors: | Kienetz, M, Cherney, M.M, James, M.N.G, Bromme, D. | | Deposit date: | 2008-02-15 | | Release date: | 2008-08-26 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The crystal and molecular structures of a cathepsin K:chondroitin sulfate complex.
J.Mol.Biol., 383, 2008
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8YGY
 | | Structure of the KLK1 from Biortus. | | Descriptor: | 1,2-ETHANEDIOL, Kallikrein-1, SULFATE ION, ... | | Authors: | Wang, F, Cheng, W, Lv, Z, Meng, Q, Xu, Y. | | Deposit date: | 2024-02-27 | | Release date: | 2024-03-13 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.401 Å) | | Cite: | Structure of the KLK1 from Biortus.
To Be Published
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6I8B
 | | Crystal structure of Spindlin1 in complex with the inhibitor VinSpinIn | | Descriptor: | 2-[4-[2-[[2-[3-[2-azanyl-5-(cyclopropylmethoxy)-3,3-dimethyl-indol-6-yl]oxypropyl]-1,3-dihydroisoindol-5-yl]oxy]ethyl]-1,2,3-triazol-1-yl]-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone, DIMETHYL SULFOXIDE, GLYCINE, ... | | Authors: | Johansson, C, Fagan, V, Brennan, P.E, Sorrell, F.J, Krojer, T, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T. | | Deposit date: | 2018-11-19 | | Release date: | 2018-12-05 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | A Chemical Probe for Tudor Domain Protein Spindlin1 to Investigate Chromatin Function.
J.Med.Chem., 62, 2019
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4ZGA
 | | Structural basis for inhibition of human autotaxin by four novel compounds | | Descriptor: | (11aS)-6-(4-fluorobenzyl)-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Stein, A.J, Bain, G, Hutchinson, J.H, Evans, J.F. | | Deposit date: | 2015-04-22 | | Release date: | 2015-10-14 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural Basis for Inhibition of Human Autotaxin by Four Potent Compounds with Distinct Modes of Binding.
Mol.Pharmacol., 88, 2015
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4ZA3
 | | Structural studies on a non-toxic homologue of type II RIPs from Momordica charantia (bitter gourd)-Native-3 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Chandran, T, Sharma, A, Vijayan, M. | | Deposit date: | 2015-04-13 | | Release date: | 2016-03-23 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Structural studies on a non-toxic homologue of type II RIPs from bitter gourd: Molecular basis of non-toxicity, conformational selection and glycan structure.
J.Biosci., 40, 2015
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4V2O
 | | Structure of saposin B in complex with chloroquine | | Descriptor: | N4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-DIETHYL-PENTANE-1,4-DIAMINE, SAPOSIN-B | | Authors: | Zubieta, C, Lai, X, Doyle, R.P. | | Deposit date: | 2014-10-13 | | Release date: | 2015-12-09 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | The Lysosomal Protein Saposin B Binds Chloroquine.
Chemmedchem, 11, 2016
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4W8P
 | | Crystal structure of RIAM TBS1 in complex with talin R7R8 domains | | Descriptor: | 1,2-ETHANEDIOL, Amyloid beta A4 precursor protein-binding family B member 1-interacting protein, Talin-1 | | Authors: | Chang, Y.C.E, Zhang, H, Wu, J. | | Deposit date: | 2014-08-25 | | Release date: | 2014-12-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural and Mechanistic Insights into the Recruitment of Talin by RIAM in Integrin Signaling.
Structure, 22, 2014
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