4MC2
 
 | | HIV protease in complex with SA525P | | Descriptor: | (3S)-tetrahydrofuran-3-yl {(2S,3R)-4-[(4R)-4-tert-butyl-7-fluoro-1,1-dioxido-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate, CHLORIDE ION, Protease | | Authors: | Ganguly, A.K, Alluri, S.S, Wang, C, Caroccia, D, Biswas, D, Kang, E, Zhang, L, Carroll, S.S, Burlein, C, Munshi, V, Orth, P, Strickland, C. | | Deposit date: | 2013-08-21 | | Release date: | 2014-04-02 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Structural Optimization of Cyclic Sulfonamide based Novel HIV-1 Protease Inhibitors to Pico Molar Affinities guided by X-ray Crystallographic Analysis
Tetrahedron, 2014
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4ZJ0
 | | The crystal structure of monomer Q108K:K40L:Y60W CRBPII bound to all-trans-retinal | | Descriptor: | ACETATE ION, RETINAL, Retinol-binding protein 2 | | Authors: | Nossoni, Z, Assar, Z, Wang, W, Vasileiou, C, Borhan, B, Geiger, J.H. | | Deposit date: | 2015-04-28 | | Release date: | 2016-05-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Domain-Swapped Dimers of Intracellular Lipid-Binding Proteins: Evidence for Ordered Folding Intermediates.
Structure, 24, 2016
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4MC6
 | | HIV protease in complex with SA499 | | Descriptor: | 1,2-ETHANEDIOL, 1-tert-butyl-3-{(2S,3R)-4-[(4R)-7-fluoro-1,1-dioxido-4-(propan-2-yl)-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}urea, CHLORIDE ION, ... | | Authors: | Ganguly, A.K, Alluri, S.S, Wang, C, Antropow, A, White, A, Caroccia, D, Biswas, D, Kang, E, Zhang, L, Carroll, S.S, Burlein, C, Munshi, V, Orth, P, Strickland, C. | | Deposit date: | 2013-08-21 | | Release date: | 2014-04-02 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Structural Optimization of Cyclic Sulfonamide based Novel HIV-1 Protease Inhibitors to Pico Molar Affinities guided by X-ray Crystallographic Analysis
Tetrahedron, 2014
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4QYP
 | | The Crystal Structures of holo-wt human Cellular Retinol Binding protein II (hCRBPII) bound to Retinal | | Descriptor: | ACETATE ION, RETINAL, Retinol-binding protein 2 | | Authors: | Nossoni, Z, Assar, Z, Yapici, I, Nosrati, M, Wang, W, Berbasova, T, Vasileiou, C, Borhan, B, Geiger, H. | | Deposit date: | 2014-07-25 | | Release date: | 2014-12-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Structures of holo wild-type human cellular retinol-binding protein II (hCRBPII) bound to retinol and retinal.
Acta Crystallogr.,Sect.D, 70, 2014
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3PHP
 | | STRUCTURE OF THE 3' HAIRPIN OF THE TYMV PSEUDOKNOT: PREFORMATION IN RNA FOLDING | | Descriptor: | RNA (5'-R(*GP*GP*UP*UP*CP*CP*GP*AP*GP*GP*GP*UP*CP*AP*UP*CP*GP*GP*AP*AP*CP*CP*A) -3') | | Authors: | Kolk, M.H, Van Der Graaf, M, Wijmenga, S.S, Pleij, C.W.A, Heus, H.A, Hilbers, C.W. | | Deposit date: | 1998-10-13 | | Release date: | 1998-10-21 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Structure of the 3'-hairpin of the TYMV pseudoknot: preformation in RNA folding.
EMBO J., 17, 1998
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1W39
 | | Crystal structure of an artificial top component of turnip yellow mosaic virus | | Descriptor: | TURNIP YELLOW MOSAIC VIRUS EMPTY CAPSID | | Authors: | van Roon, A.M.M, Bink, H.H.J, Plaisier, J.R, Pleij, C.W.A, Abrahams, J.P, Pannu, N.S. | | Deposit date: | 2004-07-14 | | Release date: | 2004-08-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.75 Å) | | Cite: | Crystal Structure of an Empty Capsid of Turnip Yellow Mosaic Virus.
J.Mol.Biol., 341, 2004
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2WB3
 | | The partial structure of a group A streptococcal phage-encoded tail fibre hyaluronate lyase Hylp3 | | Descriptor: | HYALURONIDASE-PHAGE ASSOCIATED | | Authors: | Martinez-Fleites, C, Black, G.W, Turkenburg, J.P, Smith, N.L, Taylor, E.J. | | Deposit date: | 2009-02-20 | | Release date: | 2009-09-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structures of Two Truncated Phage-Tail Hyaluronate Lyases from Streptococcus Pyogenes Serotype M1.
Acta Crystallogr.,Sect.F, 65, 2009
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2WH7
 | | The partial structure of a group A streptpcoccal phage-encoded tail fibre hyaluronate lyase Hylp2 | | Descriptor: | HYALURONIDASE-PHAGE ASSOCIATED | | Authors: | Martinez-Fleites, C, Black, G.W, Turkenburg, J.P, Smith, N.L, Taylor, E.J. | | Deposit date: | 2009-05-01 | | Release date: | 2009-09-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structures of Two Truncated Phage-Tail Hyaluronate Lyases from Streptococcus Pyogenes Serotype M1.
Acta Crystallogr.,Sect.F, 65, 2009
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1TT0
 | | Crystal Structure of Pyranose 2-Oxidase | | Descriptor: | ACETATE ION, DODECAETHYLENE GLYCOL, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Hallberg, B.M, Leitner, C, Haltrich, D, Divne, C. | | Deposit date: | 2004-06-21 | | Release date: | 2005-06-21 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of the 270 kDa homotetrameric lignin-degrading enzyme pyranose 2-oxidase
J.Mol.Biol., 341, 2004
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4QYN
 | | The Crystal Structures of holo-wt human Cellular Retinol Binding protein II (hCRBPII) bound to Retinol | | Descriptor: | ACETATE ION, RETINOL, Retinol-binding protein 2 | | Authors: | Nossoni, Z, Assar, Z, Yapici, I, Nosrati, M, Wang, W, Berbasova, T, Vasileiou, C, Borhan, B, Geiger, H. | | Deposit date: | 2014-07-24 | | Release date: | 2014-12-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.19 Å) | | Cite: | Structures of holo wild-type human cellular retinol-binding protein II (hCRBPII) bound to retinol and retinal.
Acta Crystallogr.,Sect.D, 70, 2014
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2NNU
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3UUO
 | | The discovery of potent, selectivity, and orally bioavailable pyrozoloquinolines as PDE10 inhibitors for the treatment of Schizophrenia | | Descriptor: | 6-methoxy-3,8-dimethyl-4-(piperazin-1-yl)-1H-pyrazolo[3,4-b]quinoline, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Ho, G.D, Yang, S, Smotryski, J, Bercovici, A, Nechuta, T, Smith, E.M, McElroy, W, Tan, Z, Tulshian, D, Mckittrick, B, Greenlee, W.J, Hruza, A, Xiao, L, Rindgen, D, Guzzi, M, Zhang, X, Bleickardt, C, Mullins, D, Hodgson, R. | | Deposit date: | 2011-11-28 | | Release date: | 2012-01-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | The discovery of potent, selective, and orally active pyrazoloquinolines as PDE10A inhibitors for the treatment of Schizophrenia.
Bioorg.Med.Chem.Lett., 22, 2012
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1E95
 | | Solution structure of the pseudoknot of SRV-1 RNA, involved in ribosomal frameshifting | | Descriptor: | RNA (5'-(*GP*CP*GP*GP*CP*CP*AP*GP*CP*UP*CP* CP*AP*GP*GP*CP*CP*GP*CP*CP*AP*AP*AP*CP* AP*AP*UP*AP*UP*GP*GP*AP*GP*CP*AP*C)-3') | | Authors: | Michiels, P.J.A, Versleyen, A, Pleij, C.W.A, Hilbers, C.W, Heus, H.A. | | Deposit date: | 2000-10-09 | | Release date: | 2001-08-23 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of the Pseudoknot of Srv-1 RNA, Involved in Ribosomal Frameshifting
J.Mol.Biol., 310, 2001
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7BBG
 | | CRYSTAL STRUCTURE OF HLA-A2-WT1-RMF AND FAB 11D06 | | Descriptor: | Beta-2-microglobulin, Heavy chain of Fab fragment 11D06, Light chain of Fab fragment 11D06, ... | | Authors: | Bujotzek, A, Georges, G, Hanisch, L.J, Klein, C, Benz, J. | | Deposit date: | 2020-12-17 | | Release date: | 2021-10-27 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Targeting intracellular WT1 in AML with a novel RMF-peptide-MHC-specific T-cell bispecific antibody.
Blood, 138, 2021
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4DFF
 | | The SAR development of dihydroimidazoisoquinoline derivatives as phosphodiesterase 10A inhibitors for the treatment of schizophrenia | | Descriptor: | 8,9-dimethoxy-1-(1,3-thiazol-5-yl)-5,6-dihydroimidazo[5,1-a]isoquinoline, MAGNESIUM ION, ZINC ION, ... | | Authors: | Ho, G.D, Seganish, W.M, Bercovici, A, Tulshian, D, Greenlee, W.J, Van Rijn, R, Hruza, A, Xiao, L, Rindgen, D, Mullins, D, Guzzi, M, Zhang, X, Bleichardt, C, Hodgson, R. | | Deposit date: | 2012-01-23 | | Release date: | 2012-03-14 | | Last modified: | 2012-04-04 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | The SAR development of dihydroimidazoisoquinoline derivatives as phosphodiesterase 10A inhibitors for the treatment of schizophrenia.
Bioorg.Med.Chem.Lett., 22, 2012
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1GAR
 | | TOWARDS STRUCTURE-BASED DRUG DESIGN: CRYSTAL STRUCTURE OF A MULTISUBSTRATE ADDUCT COMPLEX OF GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMYLASE AT 1.96 ANGSTROMS RESOLUTION | | Descriptor: | GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMYLASE, N-[4-[[3-(2,4-DIAMINO-1,6-DIHYDRO-6-OXO-4-PYRIMIDINYL)-PROPYL]-[2-((2-OXO-2-((4-PHOSPHORIBOXY)-BUTYL)-AMINO)-ETHYL)-THIO-ACETYL]-AMINO]BENZOYL]-1-GLUTAMIC ACID | | Authors: | Wilson, I.A, Klein, C, Chen, P, Arevalo, J.H. | | Deposit date: | 1994-12-08 | | Release date: | 1995-07-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Towards structure-based drug design: crystal structure of a multisubstrate adduct complex of glycinamide ribonucleotide transformylase at 1.96 A resolution.
J.Mol.Biol., 249, 1995
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6FIB
 | | Structure of human 4-1BB ligand | | Descriptor: | Tumor necrosis factor ligand superfamily member 9, Tumor necrosis factor ligand superfamily member 9,4-1BBL -CH/CL fusion, Tumor necrosis factor ligand superfamily member 9,Uncharacterized protein | | Authors: | Joseph, C, Claus, C, Ferrara, C, von Hirschheydt, T, Prince, C, Funk, D, Klein, C, Benz, J. | | Deposit date: | 2018-01-17 | | Release date: | 2019-03-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Tumor-targeted 4-1BB agonists for combination with T cell bispecific antibodies as off-the-shelf therapy.
Sci Transl Med, 11, 2019
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1YVM
 | | E. coli Methionine Aminopeptidase in complex with thiabendazole | | Descriptor: | 2-(1,3-THIAZOL-4-YL)-1H-BENZIMIDAZOLE, COBALT (II) ION, Methionine aminopeptidase, ... | | Authors: | Schiffmann, R, Heine, A, Klebe, G, Klein, C.D. | | Deposit date: | 2005-02-16 | | Release date: | 2005-06-07 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Metal Ions as Cofactors for the Binding of Inhibitors to Methionine Aminopeptidase: A Critical View of the Relevance of In Vitro Metalloenzyme Assays.
Angew.Chem.Int.Ed.Engl., 44, 2005
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2Z2C
 | | MURA inhibited by unag-cnicin adduct | | Descriptor: | 2-acetamido-3-O-[(2S,3S)-2-carboxy-3,4-dihydroxybutan-2-yl]-2-deoxy-alpha-D-glucopyranose, UDP-N-acetylglucosamine 1-carboxyvinyltransferase, URIDINE-5'-DIPHOSPHATE | | Authors: | Steinbach, A, Skarzynski, T, Scheidig, A.J, Klein, C.D. | | Deposit date: | 2007-05-17 | | Release date: | 2008-05-20 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | The Antibacterial Target Enzyme Mura Synthesizes its Own Non-Covalent Suicide Inhibitor from the Natural Product Cnicin
To be Published
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8B6U
 | | Mpf2Ba1 monomer | | Descriptor: | MAGNESIUM ION, Mpf2Ba1 | | Authors: | Marini, G, Poland, B, Leininger, C, Lukoyanova, N, Spielbauer, D, Barry, J, Altier, D, Lum, A, Scolaro, E, Perez-Ortega, C, Yalpani, N, Sandahl, G, Mabry, T, Klever, J, Nowatzki, T, Zhao, J.Z, Sethi, A, Kassa, A, Crane, V, Lu, A, Nelson, M.E, Eswar, N, Topf, M, Saibil, H.R. | | Deposit date: | 2022-09-27 | | Release date: | 2023-05-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.134 Å) | | Cite: | Structural journey of an insecticidal protein against western corn rootworm.
Nat Commun, 14, 2023
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8B6W
 | | Mpf2Ba1 pore | | Descriptor: | MAGNESIUM ION, Mpf2Ba1 | | Authors: | Marini, G, Poland, B, Leininger, C, Lukoyanova, N, Spielbauer, D, Barry, J, Altier, D, Lum, A, Scolaro, E, Perez Ortega, C, Yalpani, N, Sandahl, G, Mabry, T, Klever, J, Nowatzki, T, Zhao, J.Z, Sethi, A, Kassa, A, Crane, V, Lu, A, Nelson, M.E, Eswar, N, Topf, M, Saibil, H.R. | | Deposit date: | 2022-09-27 | | Release date: | 2023-05-31 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Structural journey of an insecticidal protein against western corn rootworm.
Nat Commun, 14, 2023
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8B6V
 | | Mp2Ba1 pre-pore | | Descriptor: | MAGNESIUM ION, Mpf2Ba1 | | Authors: | Marini, G, Poland, B, Leininger, C, Lukoyanova, N, Spielbauer, D, Barry, J, Altier, D, Lum, A, Scolaro, E, Perez Ortega, C, Yalpani, N, Sandahl, G, Mabry, T, Klever, J, Nowatzki, T, Zhao, J.Z, Sethi, A, Kassa, A, Crane, V, Lu, A, Nelson, M.E, Eswar, N, Topf, M, Saibil, H.R. | | Deposit date: | 2022-09-27 | | Release date: | 2023-05-31 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural journey of an insecticidal protein against western corn rootworm.
Nat Commun, 14, 2023
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3J2I
 | | Structure of late pre-60S ribosomal subunits with nuclear export factor Arx1 bound at the peptide exit tunnel | | Descriptor: | Eukaryotic translation initiation factor 6, Proliferation-associated protein 2G4 | | Authors: | Bradatsch, B, Leidig, C, Granneman, S, Gnaedig, M, Tollervey, D, Boettcher, B, Beckmann, R, Hurt, E. | | Deposit date: | 2012-10-04 | | Release date: | 2012-11-07 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (11.9 Å) | | Cite: | Structure of the pre-60S ribosomal subunit with nuclear export factor Arx1 bound at the exit tunnel.
Nat.Struct.Mol.Biol., 19, 2012
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8BFB
 | | Sarkosyl-extracted AppNL-G-F Abeta42 fibril structure (Methoxy-X04-labelled mice) | | Descriptor: | Amyloid-beta precursor protein | | Authors: | Wilkinson, M, Leistner, C, Burgess, A, Goodfellow, S, Deuchars, S, Ranson, N.A, Radford, S.E, Frank, R.A.W. | | Deposit date: | 2022-10-24 | | Release date: | 2023-05-31 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | The in-tissue molecular architecture of beta-amyloid pathology in the mammalian brain.
Nat Commun, 14, 2023
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8BFA
 | | Sarkosyl-extracted AppNL-G-F Abeta42 fibril structure | | Descriptor: | Amyloid-beta precursor protein | | Authors: | Wilkinson, M, Leistner, C, Burgess, A, Goodfellow, S, Deuchars, S, Ranson, N.A, Radford, S.E, Frank, R.A.W. | | Deposit date: | 2022-10-24 | | Release date: | 2023-05-31 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | The in-tissue molecular architecture of beta-amyloid pathology in the mammalian brain.
Nat Commun, 14, 2023
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