6M5U
 
 | | The coordinates of the monomeric terminase complex in the presence of the ADP-BeF3 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ... | | Authors: | Yang, Y.X, Yang, P, Wang, N, Zhu, L, Zhou, Z.H, Rao, Z.H, Wang, X.X. | | Deposit date: | 2020-03-11 | | Release date: | 2020-10-28 | | Last modified: | 2025-06-18 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Architecture of the herpesvirus genome-packaging complex and implications for DNA translocation.
Protein Cell, 11, 2020
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2JCH
 | | Structural and mechanistic basis of penicillin binding protein inhibition by lactivicins | | Descriptor: | (2E)-2-({(2S)-2-CARBOXY-2-[(PHENOXYACETYL)AMINO]ETHOXY}IMINO)PENTANEDIOIC ACID, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Macheboeuf, P, Fisher, D.S, Brown, T.J, Zervosen, A, Luxen, A, Joris, B, Dessen, A, Schofield, C.J. | | Deposit date: | 2006-12-23 | | Release date: | 2007-08-14 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural and Mechanistic Basis of Penicillin-Binding Protein Inhibition by Lactivicins
Nat.Chem.Biol., 3, 2007
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5POK
 | | PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N10908a | | Descriptor: | 1,2-ETHANEDIOL, 1-(4-phenylpiperazin-1-yl)ethan-1-one, Bromodomain-containing protein 1, ... | | Authors: | Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | | Deposit date: | 2017-02-07 | | Release date: | 2017-03-15 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
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3P34
 | | Polo-like kinase I Polo-box domain in complex with MQSpTPL phosphopeptide | | Descriptor: | GLYCEROL, SULFATE ION, Serine/threonine-protein kinase PLK1, ... | | Authors: | Sledz, P, Hyvonen, M, Abell, C. | | Deposit date: | 2010-10-04 | | Release date: | 2011-04-27 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | From crystal packing to molecular recognition: prediction and discovery of a binding site on the surface of polo-like kinase 1
Angew.Chem.Int.Ed.Engl., 50, 2011
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4K2Y
 | | Crystal Structure of Human Chymase in Complex with Fragment Inhibitor 6-chloro-1,3-dihydro-2H-indol-2-one | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-chloro-1,3-dihydro-2H-indol-2-one, Chymase, ... | | Authors: | Collins, B.K, Padyana, A.K. | | Deposit date: | 2013-04-09 | | Release date: | 2013-05-29 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of Potent, Selective Chymase Inhibitors via Fragment Linking Strategies.
J.Med.Chem., 56, 2013
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2BQ6
 | | Crystal structure of factor Xa in complex with 21 | | Descriptor: | 1-{[5-(5-CHLORO-2-THIENYL)ISOXAZOL-3-YL]METHYL}-3-CYANO-N-(1-ISOPROPYLPIPERIDIN-4-YL)-7-METHYL-1H-INDOLE-2-CARBOXAMIDE, CALCIUM ION, COAGULATION FACTOR X, ... | | Authors: | Nazare, M, Will, D.W, Matter, H, Schreuder, H, Ritter, K, Urmann, M, Essrich, M, Bauer, A, Wagner, M, Czech, J, Laux, V, Wehner, V. | | Deposit date: | 2005-04-27 | | Release date: | 2006-04-26 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Probing the Subpockets of Factor Xa Reveals Two Binding Modes for Inhibitors Based on a 2-Carboxyindole Scaffold: A Study Combining Structure-Activity Relationship and X-Ray Crystallography.
J.Med.Chem., 48, 2005
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1LMO
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3P6L
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4TUH
 | | Bcl-xL in complex with inhibitor (Compound 10) | | Descriptor: | 1,2-ETHANEDIOL, 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl]-5-{3-[4-(1H-pyrazolo[3,4-d]pyrimidin-1-yl)phenoxy]propyl}-1,3-thiazole-4-carboxylic acid, ACETATE ION, ... | | Authors: | Czabotar, P.E, Lessense, G, Smith, B.J, Colman, P.M. | | Deposit date: | 2014-06-24 | | Release date: | 2014-10-15 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-Guided Rescaffolding of Selective Antagonists of BCL-XL.
Acs Med.Chem.Lett., 5, 2014
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2QWR
 | | Crystal structure of disulfide-bond-crosslinked complex of bovine hsc70 (1-394aa)R171C and bovine Auxilin (810-910aa)D876C in the AMPPNP intact form | | Descriptor: | ACETIC ACID, GLYCEROL, Heat shock cognate 71 kDa protein, ... | | Authors: | Jiang, J, Maes, E.G, Wang, L, Taylor, A.B, Hinck, A.P, Lafer, E.M, Sousa, R. | | Deposit date: | 2007-08-10 | | Release date: | 2007-12-18 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Structural basis of J cochaperone binding and regulation of Hsp70.
Mol.Cell, 28, 2007
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3GGV
 | | HIV Protease, pseudo-symmetric inhibitors | | Descriptor: | V-1 protease, methyl [(1S)-1-{[(1R,3S,4S)-3-hydroxy-4-{[(2S)-2-(3-{[6-(1-hydroxy-1-methylethyl)pyridin-2-yl]methyl}-2-oxo-2,3-dihydro-1H-imidazol-1-yl)-3,3-dimethylbutanoyl]amino}-5-phenyl-1-(4-pyridin-2-ylbenzyl)pentyl]carbamoyl}-2,2-dimethylpropyl]carbamate | | Authors: | Stoll, V.S. | | Deposit date: | 2009-03-02 | | Release date: | 2009-05-26 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.09 Å) | | Cite: | 2-Pyridyl P1'-substituted symmetry-based human immunodeficiency virus
protease inhibitors (A-792611 and A-790742) with potential for convenient
dosing and reduced side effects.
J.Med.Chem., 52, 2009
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3A0B
 | | Crystal structure of Br-substituted Photosystem II complex | | Descriptor: | (1S)-2-(ALPHA-L-ALLOPYRANOSYLOXY)-1-[(TRIDECANOYLOXY)METHYL]ETHYL PALMITATE, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 5-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-HEPTAMETHYLOCTACOSA-2,6,10,14,18,22,26-HEPTAENYL]-2,3-DIMETHYLBENZO-1,4-QUINONE, ... | | Authors: | Kawakami, K, Umena, Y, Kamiya, N, Shen, J.-R. | | Deposit date: | 2009-03-16 | | Release date: | 2009-05-19 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | Location of chloride and its possible functions in oxygen-evolving photosystem II revealed by X-ray crystallography
Proc.Natl.Acad.Sci.USA, 106, 2009
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2F10
 | | Crystal Structure of the Human Sialidase Neu2 in Complex with Peramivir inhibitor | | Descriptor: | 3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID, PHOSPHATE ION, Sialidase 2 | | Authors: | Chavas, L.M.G, Kato, R, McKimm-Breschkin, J, Colman, P.M, Fusi, P, Tringali, C, Venerando, B, Tettamanti, G, Monti, E, Wakatsuki, S. | | Deposit date: | 2005-11-14 | | Release date: | 2006-11-21 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal Structure of the Human Sialidase Neu2 in Complex with Peramivir inhibitor
To be Published
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3NYA
 | | Crystal structure of the human beta2 adrenergic receptor in complex with the neutral antagonist alprenolol | | Descriptor: | (2S)-1-[(1-methylethyl)amino]-3-(2-prop-2-en-1-ylphenoxy)propan-2-ol, Beta-2 adrenergic receptor, Lysozyme, ... | | Authors: | Brown, M.A, Wacker, D, Fenalti, G, Katritch, V, Abagyan, R, Cherezov, V, Stevens, R.C, GPCR Network (GPCR) | | Deposit date: | 2010-07-14 | | Release date: | 2010-08-11 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (3.16 Å) | | Cite: | Conserved Binding Mode of Human beta(2) Adrenergic Receptor Inverse Agonists and Antagonist Revealed by X-ray Crystallography
J.Am.Chem.Soc., 132, 2010
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6LPG
 | | human VASH1-SVBP complex | | Descriptor: | SULFATE ION, Small vasohibin-binding protein, Tubulinyl-Tyr carboxypeptidase 1 | | Authors: | Ikeda, A, Nishino, T. | | Deposit date: | 2020-01-10 | | Release date: | 2020-10-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The crystal structure of the tetrameric human vasohibin-1-SVBP complex reveals a variable arm region within the structural core.
Acta Crystallogr D Struct Biol, 76, 2020
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4FV6
 | | Crystal Structure of the ERK2 complexed with E57 | | Descriptor: | 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-(2-{[(2S)-1-hydroxybutan-2-yl]amino}-5-methylpyrimidin-4-yl)-1H-pyrrole-2-carboxamide, ... | | Authors: | Kang, Y.N, Stuckey, J.A, Xie, X. | | Deposit date: | 2012-06-29 | | Release date: | 2012-08-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structure of the ERK2 complexed with E57
TO BE PUBLISHED
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1IZE
 | | Crystal structure of Aspergillus oryzae Aspartic proteinase complexed with pepstatin | | Descriptor: | Pepstatin, alpha-D-mannopyranose, aspartic proteinase | | Authors: | Kamitori, S, Ohtaki, A, Ino, H, Takeuchi, M. | | Deposit date: | 2002-10-02 | | Release date: | 2003-03-04 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structures of Aspergillus oryzae aspartic proteinase and its complex with an inhibitor pepstatin at 1.9A resolution.
J.Mol.Biol., 326, 2003
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4K0T
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2FH7
 | | Crystal structure of the phosphatase domains of human PTP SIGMA | | Descriptor: | Receptor-type tyrosine-protein phosphatase S | | Authors: | Alvarado, J, Udupi, R, Smith, D, Koss, J, Wasserman, S.R, Ozyurt, S, Atwell, S, Powell, A, Kearins, M.C, Rooney, I, Maletic, M, Bain, K.T, Freeman, J.C, Russell, M, Thompson, D.A, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2005-12-23 | | Release date: | 2006-01-10 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural genomics of protein phosphatases.
J.STRUCT.FUNCT.GENOM., 8, 2007
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6JGO
 | | Crystal structure of barley exohydrolaseI W434H mutant in complex with 4I,4III,4V-S-trithiocellohexaose | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, BETA-D-GLUCAN GLUCOHYDROLASE ISOENZYME EXO1, ... | | Authors: | Luang, S, Streltsov, V.A, Hrmova, M. | | Deposit date: | 2019-02-14 | | Release date: | 2020-08-19 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
Nat Commun, 13, 2022
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7F5H
 | | The crystal structure of RBD-Nanobody complex, DL28 (SC4) | | Descriptor: | GLYCEROL, Nanobody DL28, PHOSPHATE ION, ... | | Authors: | Luo, Z.P, Li, T, Lai, Y, Zhou, Y, Tan, J, Li, D. | | Deposit date: | 2021-06-22 | | Release date: | 2022-06-29 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural Characterization of a Neutralizing Nanobody With Broad Activity Against SARS-CoV-2 Variants.
Front Microbiol, 13, 2022
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5V84
 | | CECR2 in complex with Cpd6 (6-allyl-N,2-dimethyl-7-oxo-N-(1-(1-phenylethyl)piperidin-4-yl)-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-4-carboxamide) | | Descriptor: | Cat eye syndrome critical region protein 2, N,2-dimethyl-7-oxo-N-{1-[(1S)-1-phenylethyl]piperidin-4-yl}-6-(prop-2-en-1-yl)-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-4- carboxamide, SULFATE ION | | Authors: | Murray, J.M, Kiefer, J.R, Jayaran, H, Bellon, S, Boy, F. | | Deposit date: | 2017-03-21 | | Release date: | 2017-06-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | GNE-886: A Potent and Selective Inhibitor of the Cat Eye Syndrome Chromosome Region Candidate 2 Bromodomain (CECR2).
ACS Med Chem Lett, 8, 2017
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1IH0
 | | Structure of the C-domain of Human Cardiac Troponin C in Complex with Ca2+ Sensitizer EMD 57033 | | Descriptor: | 5-[1-(3,4-DIMETHOXY-BENZOYL)-1,2,3,4-TETRAHYDRO-QUINOLIN-6-YL]-6-METHYL-3,6-DIHYDRO-[1,3,4]THIADIAZIN-2-ONE, CALCIUM ION, TROPONIN C, ... | | Authors: | Wang, X, Li, M.X, Spyracopoulos, L, Beier, N, Chandra, M, Solaro, R.J, Sykes, B.D. | | Deposit date: | 2001-04-18 | | Release date: | 2001-10-10 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structure of the C-domain of human cardiac troponin C in complex with the Ca2+ sensitizing drug EMD 57033.
J.Biol.Chem., 276, 2001
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4C1W
 | | Carbohydrate binding domain from Streptococcus pneumoniae NanA sialidase complexed with 3'-sialyllactose | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose, NEURAMINIDASE | | Authors: | Yang, L, Connaris, H, Potter, J.A, Taylor, G.L. | | Deposit date: | 2013-08-14 | | Release date: | 2014-08-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Prevention of Influenza by Targeting Host Receptors Using Engineered Proteins.
Proc.Natl.Acad.Sci.USA, 111, 2014
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5POJ
 | | PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N10941a | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 1, N-(1-benzylpiperidin-4-yl)acetamide, ... | | Authors: | Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | | Deposit date: | 2017-02-07 | | Release date: | 2017-03-15 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
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