8S2V
 
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8S2W
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7O6S
 | | Crystal structure of a shortened IpgC variant in complex with N-(2H-1,3-benzodioxol-5-ylmethyl)cyclopentanamine | | Descriptor: | CHLORIDE ION, Chaperone protein IpgC, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Gardonyi, M, Heine, A, Klebe, G. | | Deposit date: | 2021-04-12 | | Release date: | 2022-04-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Crystal structure of a shortened IpgC variant in complex with N-(2H-1,3-benzodioxol-5-ylmethyl)cyclopentanamine
To be published
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8SK8
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6YJM
 | | Crystal Structure of the Catalytic Domain of ADAMTS-5 in Complex with the Inhibitor GLPG1972 | | Descriptor: | (5~{S})-5-[3-[(3~{S})-4-[3,5-bis(fluoranyl)phenyl]-3-methyl-piperazin-1-yl]-3-oxidanylidene-propyl]-5-cyclopropyl-imidazolidine-2,4-dione, A disintegrin and metalloproteinase with thrombospondin motifs 5, CALCIUM ION, ... | | Authors: | Goepfert, A, Leonard, P, Triballeau, N, Fleury, D, Mollat, P, Lamers, M. | | Deposit date: | 2020-04-03 | | Release date: | 2021-04-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Discovery of GLPG1972/S201086, a Potent, Selective, and Orally Bioavailable ADAMTS-5 Inhibitor for the Treatment of Osteoarthritis.
J.Med.Chem., 64, 2021
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8S2U
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6YM1
 | | Mycobacterium tuberculosis FtsZ in complex with GDP | | Descriptor: | Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE | | Authors: | Alnami, A.T, Norton, R.S, Pena, H.P, Haider, M, kozielski, F. | | Deposit date: | 2020-04-07 | | Release date: | 2021-04-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Conformational Flexibility of A Highly Conserved Helix Controls Cryptic Pocket Formation in FtsZ.
J.Mol.Biol., 433, 2021
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6YM9
 | | Mycobacterium tuberculosis FtsZ in complex with GTP-gamma-S | | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Cell division protein FtsZ | | Authors: | Alnami, A.T, Norton, R.S, Pena, H.P, Haider, M, kozielski, F. | | Deposit date: | 2020-04-08 | | Release date: | 2021-04-21 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Conformational Flexibility of A Highly Conserved Helix Controls Cryptic Pocket Formation in FtsZ.
J.Mol.Biol., 433, 2021
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4OYA
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3BXU
 | | PpcB, A Cytochrome c7 from Geobacter sulfurreducens | | Descriptor: | Cytochrome c3, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | Authors: | Pokkuluri, P.R, Schiffer, M. | | Deposit date: | 2008-01-14 | | Release date: | 2008-07-01 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structural insights into the modulation of the redox properties of two Geobacter sulfurreducens homologous triheme cytochromes.
Biochim.Biophys.Acta, 1777, 2008
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7O6R
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5YT8
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7ODE
 | | E. coli 50S ribosome LiCl core particle | | Descriptor: | 23S rRNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | | Authors: | Larsson, D.S.D, Selmer, M. | | Deposit date: | 2021-04-29 | | Release date: | 2022-06-01 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (2.84 Å) | | Cite: | Structural Consequences of Deproteinating the 50S Ribosome.
Biomolecules, 12, 2022
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7ODI
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6Y1U
 | | Mycobacterium tuberculosis FtsZ-GDP in complex with 4-hydroxycoumarin | | Descriptor: | 4-HYDROXY-2H-CHROMEN-2-ONE, Cell division protein FtsZ, DIMETHYL SULFOXIDE, ... | | Authors: | Alnami, A.T, Norton, R.S, Pena, H.P, Haider, M, kozielski, F. | | Deposit date: | 2020-02-13 | | Release date: | 2021-06-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Conformational Flexibility of A Highly Conserved Helix Controls Cryptic Pocket Formation in FtsZ.
J.Mol.Biol., 433, 2021
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6Y1V
 | | Mycobacterium tuberculosis FtsZ-GTP-gamma-S in complex with 4-hydroxycoumarin | | Descriptor: | 4-HYDROXY-2H-CHROMEN-2-ONE, 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Cell division protein FtsZ, ... | | Authors: | Alnami, A.T, Norton, R.S, Pena, H.P, Haider, M, kozielski, F. | | Deposit date: | 2020-02-13 | | Release date: | 2021-06-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Conformational Flexibility of A Highly Conserved Helix Controls Cryptic Pocket Formation in FtsZ.
J.Mol.Biol., 433, 2021
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7ODB
 | | Crystal structure of bovine Hsc70(aa1-554)E213A/D214A in complex with triazine-derivative | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 6-methyl-5-sulfanylidene-2H-1,2,4-triazin-3-one, GLYCEROL, ... | | Authors: | Zehe, M, Grimm, C, Sotriffer, C. | | Deposit date: | 2021-04-29 | | Release date: | 2022-06-01 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.662 Å) | | Cite: | Combined In-Solution Fragment Screening and Crystallographic Binding-Mode Analysis with a Two-Domain Hsp70 Construct.
Acs Chem.Biol., 2024
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7OGW
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7OG8
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7OH8
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7ODD
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3D0Z
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7OIX
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3CM7
 | | Crystal Structure of XIAP-BIR3 domain in complex with Smac-mimetic compuond, Smac005 | | Descriptor: | (3S,6S,7S,9aS)-6-{[(2S)-2-aminobutanoyl]amino}-N-(diphenylmethyl)-7-(hydroxymethyl)-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide, Baculoviral IAP repeat-containing protein 4, ZINC ION | | Authors: | Mastrangelo, E, Cossu, F, Milani, M. | | Deposit date: | 2008-03-21 | | Release date: | 2008-10-28 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Targeting the X-linked inhibitor of apoptosis protein through 4-substituted azabicyclo[5.3.0]alkane smac mimetics. Structure, activity, and recognition principles.
J.Mol.Biol., 384, 2008
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4OYZ
 | | Human solAC Complexed with Bicarbonate | | Descriptor: | Adenylate cyclase type 10, BICARBONATE ION, GLYCEROL | | Authors: | Vinkovic, M. | | Deposit date: | 2014-02-13 | | Release date: | 2014-04-02 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Crystal structure of human soluble adenylate cyclase reveals a distinct, highly flexible allosteric bicarbonate binding pocket.
Chemmedchem, 9, 2014
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