5TTO
 
 | | X-ray crystal structure of PPARgamma in complex with SR1643 | | Descriptor: | 4-bromo-N-{3,5-dichloro-4-[(quinolin-3-yl)oxy]phenyl}-2,5-difluorobenzene-1-sulfonamide, Peroxisome proliferator-activated receptor gamma | | Authors: | Bruning, J.B, Frkic, R.L, Griffin, P, Kamenecka, T, Abell, A. | | Deposit date: | 2016-11-04 | | Release date: | 2017-05-24 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.246 Å) | | Cite: | Structure-Activity Relationship of 2,4-Dichloro-N-(3,5-dichloro-4-(quinolin-3-yloxy)phenyl)benzenesulfonamide (INT131) Analogs for PPAR gamma-Targeted Antidiabetics.
J. Med. Chem., 60, 2017
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6AVM
 | | STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) TERNARY COMPLEX WITH A DOUBLE STRANDED DNA AND AN INCOMING D4TTP AT PH 9.5 WITH CROSS-LINKING TO SECOND BASE TEMPLATE OVERHANG | | Descriptor: | 2',3'-DEHYDRO-2',3'-DEOXY-THYMIDINE 5'-TRIPHOSPHATE, DNA (27-MER), DNA (5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*(DDG))-3'), ... | | Authors: | Martinez, S.E, Das, K, Arnold, E. | | Deposit date: | 2017-09-03 | | Release date: | 2018-08-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.502 Å) | | Cite: | Structure of HIV-1 reverse transcriptase/d4TTP complex: Novel DNA cross-linking site and pH-dependent conformational changes.
Protein Sci., 28, 2019
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6AX7
 | | The crystal structure of a lysyl hydroxylase from Acanthamoeba polyphaga mimivirus | | Descriptor: | FE (II) ION, Procollagen lysyl hydroxylase and glycosyltransferase | | Authors: | Guo, H, Tsai, C, Miller, M.D, Alvarado, S, Tainer, J.A, Phillips Jr, G.N, Kurie, J.M. | | Deposit date: | 2017-09-06 | | Release date: | 2018-02-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.002 Å) | | Cite: | Pro-metastatic collagen lysyl hydroxylase dimer assemblies stabilized by Fe2+-binding.
Nat Commun, 9, 2018
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4XY6
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5TW9
 | | 1.50 Angstrom Crystal Structure of C-terminal Fragment (residues 322-384) of Iron Uptake System Component EfeO from Yersinia pestis. | | Descriptor: | 1,2-ETHANEDIOL, IODIDE ION, Iron uptake system component EfeO | | Authors: | Minasov, G, Shuvalova, L, Flores, K, Dubrovska, I, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-11-11 | | Release date: | 2016-11-30 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | 1.50 Angstrom Crystal Structure of C-terminal Fragment (residues 322-384) of Iron Uptake System Component EfeO from Yersinia pestis.
To Be Published
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4XZ2
 | | Human platelet phosphofructokinase in an R-state in complex with ADP and F6P, crystal form I | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 6-O-phosphono-beta-D-fructofuranose, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Kloos, M, Strater, N. | | Deposit date: | 2015-02-03 | | Release date: | 2015-06-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.67 Å) | | Cite: | Crystal structure of human platelet phosphofructokinase-1 locked in an activated conformation.
Biochem.J., 469, 2015
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6AY0
 | | Crystal structure of H108A peptidylglycine alpha-hydroxylating monooxygenase (PHM) soaked with peptide | | Descriptor: | COPPER (II) ION, Peptidyl-glycine alpha-amidating monooxygenase | | Authors: | Maheshwari, S, Rudzka, K, Gabelli, S.B, Amzel, L.M. | | Deposit date: | 2017-09-07 | | Release date: | 2018-07-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Effects of copper occupancy on the conformational landscape of peptidylglycine alpha-hydroxylating monooxygenase.
Commun Biol, 1, 2018
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5TX1
 | | Cryo-Electron microscopy structure of species-D human adenovirus 26 | | Descriptor: | Fiber, Hexon protein, PIIIa, ... | | Authors: | Reddy, V, Yu, X, Veesler, D. | | Deposit date: | 2016-11-15 | | Release date: | 2017-05-31 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Cryo-EM structure of human adenovirus D26 reveals the conservation of structural organization among human adenoviruses.
Sci Adv, 3, 2017
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4XXS
 | | Crystal structure of BACE1 with a pyrazole-substituted tetrahydropyran thioamidine | | Descriptor: | (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(1-methyl-1H-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine, Beta-secretase 1, DIMETHYL SULFOXIDE, ... | | Authors: | Parris, K.D, Pandit, J. | | Deposit date: | 2015-01-30 | | Release date: | 2015-04-01 | | Last modified: | 2015-04-22 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Utilizing Structures of CYP2D6 and BACE1 Complexes To Reduce Risk of Drug-Drug Interactions with a Novel Series of Centrally Efficacious BACE1 Inhibitors.
J.Med.Chem., 58, 2015
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4XY8
 | | Crystal Structure of the bromodomain of BRD9 in complex with a 2-amine-9H-purine ligand | | Descriptor: | 6-(5-bromo-2-methoxyphenyl)-9H-purin-2-amine, BROMIDE ION, Bromodomain-containing protein 9 | | Authors: | Picaud, S, von Delft, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Filippakopoulos, P, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-02-02 | | Release date: | 2015-03-11 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | 9H-Purine Scaffold Reveals Induced-Fit Pocket Plasticity of the BRD9 Bromodomain.
J.Med.Chem., 58, 2015
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2N6M
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2NCP
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2N70
 | | Two-fold symmetric structure of the 18-60 construct of S31N M2 from Influenza A in lipid bilayers | | Descriptor: | Matrix protein 2 | | Authors: | Andreas, L.B, Reese, M, Eddy, M.T, Gelev, V, Ni, Q, Miller, E.A, Emsley, L, Pintacuda, G, Chou, J.J, Griffin, R.G. | | Deposit date: | 2015-09-01 | | Release date: | 2015-09-23 | | Last modified: | 2024-05-15 | | Method: | SOLID-STATE NMR | | Cite: | Structure and Mechanism of the Influenza A M218-60 Dimer of Dimers.
J.Am.Chem.Soc., 137, 2015
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4Y4Z
 | | Endothiapepsin in complex with fragment 73 | | Descriptor: | (1Z)-N,N-diethylethanimidamide, 1,2-ETHANEDIOL, ACETATE ION, ... | | Authors: | Schiebel, J, Heine, A, Klebe, G. | | Deposit date: | 2015-02-11 | | Release date: | 2016-03-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Crystallographic Fragment Screening of an Entire Library
To Be Published
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4Y58
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4Y5K
 | | Endothiapepsin in complex with fragment 274 | | Descriptor: | (1S)-2-amino-1-(4-fluorophenyl)ethanol, ACETATE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Wang, X, Heine, A, Klebe, G. | | Deposit date: | 2015-02-11 | | Release date: | 2016-03-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.439 Å) | | Cite: | Crystallographic Fragment Sreening of an Entire Library
to be published
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4Y5W
 | | Transcription factor-DNA complex | | Descriptor: | DNA (5'-D(P*AP*TP*GP*GP*AP*TP*TP*TP*CP*CP*TP*AP*GP*GP*AP*AP*GP*AP*CP*AP*A)-3'), DNA (5'-D(P*TP*TP*GP*TP*CP*TP*TP*CP*CP*TP*AP*GP*GP*AP*AP*AP*TP*CP*CP*AP*T)-3'), Signal transducer and activator of transcription 6 | | Authors: | Li, J, Niu, F, Ouyang, S, Liu, Z. | | Deposit date: | 2015-02-12 | | Release date: | 2016-02-17 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3.104 Å) | | Cite: | Structural basis for DNA recognition by STAT6
Proc.Natl.Acad.Sci.USA, 113, 2016
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2NBW
 | | Solution structure of the Rpn1 T1 site with the Rad23 UBL domain | | Descriptor: | 26S proteasome regulatory subunit RPN1, UV excision repair protein RAD23 | | Authors: | Chen, X, Walters, K.J. | | Deposit date: | 2016-03-14 | | Release date: | 2016-07-20 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Structures of Rpn1 T1:Rad23 and hRpn13:hPLIC2 Reveal Distinct Binding Mechanisms between Substrate Receptors and Shuttle Factors of the Proteasome.
Structure, 24, 2016
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4Y6U
 | | Mycobacterial protein | | Descriptor: | 1,2-ETHANEDIOL, 3-PHOSPHOGLYCERIC ACID, CHLORIDE ION, ... | | Authors: | Albesa-Jove, D, Rodrigo-Unzueta, A, Cifuente, J.O, Urresti, S, Comino, N, Sancho-Vaello, E, Guerin, M.E. | | Deposit date: | 2015-02-13 | | Release date: | 2015-07-15 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.271 Å) | | Cite: | A Native Ternary Complex Trapped in a Crystal Reveals the Catalytic Mechanism of a Retaining Glycosyltransferase.
Angew.Chem.Int.Ed.Engl., 54, 2015
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2NAD
 | | HIGH RESOLUTION STRUCTURES OF HOLO AND APO FORMATE DEHYDROGENASE | | Descriptor: | AZIDE ION, NAD-DEPENDENT FORMATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Lamzin, V.S, Dauter, Z, Popov, V.O, Harutyunyan, E.H, Wilson, K.S. | | Deposit date: | 1994-07-06 | | Release date: | 1995-01-26 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | High resolution structures of holo and apo formate dehydrogenase.
J.Mol.Biol., 236, 1994
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6B0X
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6ANI
 | | Coltuximab Fab in complex with anti-Kappa VHH domain | | Descriptor: | Anti-Kappa VHH domain, Coltuximab Fab heavy chain, Coltuximab Fab light chain, ... | | Authors: | Ereno Orbea, J, Sicard, T, Julien, J.-P. | | Deposit date: | 2017-08-13 | | Release date: | 2018-01-31 | | Last modified: | 2019-10-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Basis of Enhanced Crystallizability Induced by a Molecular Chaperone for Antibody Antigen-Binding Fragments.
J. Mol. Biol., 430, 2018
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6AP1
 | | Vps4p-Vta1p complex with peptide binding to the central pore of Vps4p | | Descriptor: | ACE-ASP-GLU-ILE-VAL-ASN-LYS-VAL-LEU-NH2, ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, ... | | Authors: | Han, H, Monroe, N, Shen, P, Sundquist, W.I, Hill, C.P. | | Deposit date: | 2017-08-16 | | Release date: | 2017-12-06 | | Last modified: | 2018-07-18 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | The AAA ATPase Vps4 binds ESCRT-III substrates through a repeating array of dipeptide-binding pockets.
Elife, 6, 2017
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5U5W
 | | CcP gateless cavity | | Descriptor: | 3-methylquinolin-4-amine, PROTOPORPHYRIN IX CONTAINING FE, Peroxidase | | Authors: | Fischer, M, Shoichet, B.K. | | Deposit date: | 2016-12-07 | | Release date: | 2017-02-01 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | Testing inhomogeneous solvation theory in structure-based ligand discovery.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5UDO
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