8C6R
 
 | | PBP AccA from A. tumefaciens Bo542 in apoform 4 | | Descriptor: | 1,2-ETHANEDIOL, Agrocinopine utilization periplasmic binding protein AccA, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Morera, S, Vigouroux, A. | | Deposit date: | 2023-01-12 | | Release date: | 2024-01-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.884 Å) | | Cite: | A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity.
Biochem.J., 481, 2024
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1E4S
 | | Solution structure of the human defensin hBD-1 | | Descriptor: | BETA-DEFENSIN 1 | | Authors: | Bauer, F, Schweimer, K, Kluver, E, Adermann, K, Forssmann, W.G, Roesch, P, Sticht, H. | | Deposit date: | 2000-07-12 | | Release date: | 2001-07-12 | | Last modified: | 2024-11-13 | | Method: | SOLUTION NMR | | Cite: | Structure Determination of Human and Murine Beta-Defensins Reveals Structural Conservation in the Absence of Significant Sequence Similarity
Protein Sci., 10, 2001
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1E65
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8C62
 | | Crystal structure of cisplatin/B-DNA adduct | | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), PLATINUM (II) ION | | Authors: | Troisi, R, Tito, G, Ferraro, G, Sica, F, Merlino, A. | | Deposit date: | 2023-01-11 | | Release date: | 2024-01-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | On the mechanism of action of arsenoplatins: arsenoplatin-1 binding to a B-DNA dodecamer.
Dalton Trans, 53, 2024
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1F23
 | | CONTRIBUTION OF A BURIED HYDROGEN BOND TO HIV-1 ENVELOPE GLYCOPROTEIN STRUCTURE AND FUNCTION | | Descriptor: | TRANSMEMBRANE GLYCOPROTEIN | | Authors: | Liu, J, Shu, W, Fagan, M, Nunberg, J.H, Lu, M. | | Deposit date: | 2000-05-23 | | Release date: | 2001-06-20 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and functional analysis of the HIV gp41 core containing an Ile573 to Thr substitution: implications for membrane fusion.
Biochemistry, 40, 2001
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8CDS
 | | Crystal structure of the xhNup93-Nb4i VHH antibody | | Descriptor: | 1,2-ETHANEDIOL, 5-Nup93 inhibitory VHH antibody, DI(HYDROXYETHYL)ETHER | | Authors: | Guttler, T, Colom, M.S, Gorlich, D. | | Deposit date: | 2023-02-01 | | Release date: | 2024-02-21 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | A checkpoint function for Nup98 in nuclear pore formation suggested by novel inhibitory nanobodies.
Embo J., 43, 2024
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1F0T
 | | BOVINE TRYPSIN COMPLEXED WITH RPR131247 | | Descriptor: | 4-HYDROXY-3-[2-OXO-3-(THIENO[3,2-B]PYRIDINE-2-SULFONYLAMINO)-PYRROLIDIN-1-YLMETHYL]-BENZAMIDINE, CALCIUM ION, SULFATE ION, ... | | Authors: | Maignan, S, Guilloteau, J.P, Pouzieux, S, Choi-Sledeski, Y.M, Becker, M.R, Klein, S.I, Ewing, W.R, Pauls, H.W, Spada, A.P, Mikol, V. | | Deposit date: | 2000-05-17 | | Release date: | 2000-09-20 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structures of human factor Xa complexed with potent inhibitors.
J.Med.Chem., 43, 2000
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1F0S
 | | Crystal Structure of Human Coagulation Factor XA Complexed with RPR208707 | | Descriptor: | CALCIUM ION, COAGULATION FACTOR XA, THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [2-OXO-1-(1H-PYRROLO[2,3-C]PYRIDIN-2-YLMETHYL)-PYRROLIDIN-3-YL]-AMIDE | | Authors: | Maignan, S, Guilloteau, J.P, Pouzieux, S, Choi-Sledeski, Y.M, Becker, M.R, Klein, S.I, Ewing, W.R, Pauls, H.W, Spada, A.P, Mikol, V. | | Deposit date: | 2000-05-17 | | Release date: | 2000-09-20 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structures of human factor Xa complexed with potent inhibitors.
J.Med.Chem., 43, 2000
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8EYW
 | | Beetroot dimer bound to ThT | | Descriptor: | 2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium, POTASSIUM ION, RNA (49-MER) | | Authors: | Passalacqua, L.F.M, Ferre-D'Amare, A.R. | | Deposit date: | 2022-10-28 | | Release date: | 2023-05-31 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Co-crystal structures of the fluorogenic aptamer Beetroot show that close homology may not predict similar RNA architecture.
Nat Commun, 14, 2023
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6TIV
 | | Crystal structure of the SVS_A2 protein (205-DREMH-209 /205-AQDLE-209 mutant) from ancestral sequence reconstruction at 2.38 A resolution | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, SVS variant AT2, ... | | Authors: | Rudraraju, R, Schnell, R, Schneider, G. | | Deposit date: | 2019-11-22 | | Release date: | 2020-12-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Engineering of Ancestors as a Tool to Elucidate Structure, Mechanism, and Specificity of Extant Terpene Cyclase.
J.Am.Chem.Soc., 143, 2021
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8TFE
 | | Crystal structure of Fab fragment of anti-HCV E2 antibody (CBH-7) | | Descriptor: | 1,2-ETHANEDIOL, CBH-7 Heavy chain, CBH-7 Light chain, ... | | Authors: | Shahid, S, Mariuzza, R.A. | | Deposit date: | 2023-07-10 | | Release date: | 2024-07-17 | | Last modified: | 2025-07-09 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Cryo-EM structures of HCV E2 glycoprotein bound to neutralizing and non-neutralizing antibodies determined using bivalent Fabs as fiducial markers.
Commun Biol, 8, 2025
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1F5W
 | | DIMERIC STRUCTURE OF THE COXSACKIE VIRUS AND ADENOVIRUS RECEPTOR D1 DOMAIN | | Descriptor: | COXSACKIE VIRUS AND ADENOVIRUS RECEPTOR, SULFATE ION | | Authors: | van Raaij, M.J, Chouin, E, van der Zandt, H, Bergelson, J.M, Cusack, S. | | Deposit date: | 2000-06-18 | | Release date: | 2000-11-08 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Dimeric structure of the coxsackievirus and adenovirus receptor D1 domain at 1.7 A resolution.
Structure Fold.Des., 8, 2000
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1F6B
 | | CRYSTAL STRUCTURE OF SAR1-GDP COMPLEX | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, SAR1, ... | | Authors: | Huang, M, Wilson, I.A, Balch, W.E. | | Deposit date: | 2000-06-21 | | Release date: | 2002-01-09 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of Sar1-GDP at 1.7 A resolution and the role of the NH2 terminus in ER export.
J.Cell Biol., 155, 2001
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7M77
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1FJJ
 | | CRYSTAL STRUCTURE OF E.COLI YBHB PROTEIN, A NEW MEMBER OF THE MAMMALIAN PEBP FAMILY | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HYPOTHETICAL 17.1 KDA PROTEIN IN MODC-BIOA INTERGENIC REGION | | Authors: | Serre, L, Pereira de Jesus, K, Benedetti, H, Bureaud, N, Schoentgen, F, Zelwer, C. | | Deposit date: | 2000-08-08 | | Release date: | 2001-07-18 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Crystal structures of YBHB and YBCL from Escherichia coli, two bacterial homologues to a Raf kinase inhibitor protein.
J.Mol.Biol., 310, 2001
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6NRP
 | | Putative short-chain dehydrogenase/reductase (SDR) from Acinetobacter baumannii | | Descriptor: | 3-oxoacyl-ACP reductase FabG | | Authors: | Cross, E.M, Smith, K.M, Shaw, K.I, Aragao, D, Forwood, J.K. | | Deposit date: | 2019-01-23 | | Release date: | 2019-02-27 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Insights into Acinetobacter baumannii fatty acid synthesis 3-oxoacyl-ACP reductases.
Sci Rep, 11, 2021
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8ETX
 | | Ancestral PETase 55_547 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Polyethylene terephthalate hydrolase, ... | | Authors: | Saunders, J.W, Frkic, R.L, Jackson, C.J. | | Deposit date: | 2022-10-18 | | Release date: | 2023-11-01 | | Last modified: | 2025-06-04 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Ancestral reconstruction of polyethylene terephthalate degrading cutinases reveals a rugged and unexplored sequence-fitness landscape.
Sci Adv, 11, 2025
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8AVJ
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1FMB
 | | EIAV PROTEASE COMPLEXED WITH THE INHIBITOR HBY-793 | | Descriptor: | EIAV PROTEASE, [2-(2-METHYL-PROPANE-2-SULFONYLMETHYL)-3-NAPHTHALEN-1-YL-PROPIONYL-VALINYL]-PHENYLALANINOL | | Authors: | Wlodawer, A, Gustchina, A, Zdanov, A, Kervinen, J. | | Deposit date: | 1996-02-27 | | Release date: | 1996-10-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of equine infectious anemia virus proteinase complexed with an inhibitor.
Protein Sci., 5, 1996
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5IDV
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8D30
 | | Crystal structure of the human COPB2 WD-domains | | Descriptor: | 1,2-ETHANEDIOL, Coatomer subunit beta' | | Authors: | Zeng, H, Dong, A, Hutchinson, A, Seitova, A, Loppnau, P, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2022-05-31 | | Release date: | 2022-11-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of the human COPB2 WD-domains
To Be Published
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7OWX
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1FJ0
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8RI3
 | | Crystal structure of transplatin/B-DNA adduct obtained upon 7 days of soaking | | Descriptor: | AMMONIA, CHLORIDE ION, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), ... | | Authors: | Tito, G, Troisi, R, Ferraro, G, Sica, F, Merlino, A. | | Deposit date: | 2023-12-18 | | Release date: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | On the mechanism of action of arsenoplatins: arsenoplatin-1 binding to a B-DNA dodecamer.
Dalton Trans, 53, 2024
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1FJS
 | | CRYSTAL STRUCTURE OF THE INHIBITOR ZK-807834 (CI-1031) COMPLEXED WITH FACTOR XA | | Descriptor: | CALCIUM ION, CHLORIDE ION, COAGULATION FACTOR XA, ... | | Authors: | Adler, M, Whitlow, M. | | Deposit date: | 2000-08-08 | | Release date: | 2000-10-04 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Preparation, characterization, and the crystal structure of the inhibitor ZK-807834 (CI-1031) complexed with factor Xa.
Biochemistry, 39, 2000
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