4GMB
 
 | | Crystal structure of human WD repeat domain 5 with compound MM-402 | | Descriptor: | MM-402, WD repeat-containing protein 5 | | Authors: | Karatas, H, Townsend, E.C, Chen, Y, Bernard, D, Cao, F, Liu, L, Lei, M, Dou, Y, Wang, S. | | Deposit date: | 2012-08-15 | | Release date: | 2014-02-19 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.781 Å) | | Cite: | Discovery of a Highly Potent, Cell-Permeable Macrocyclic Peptidomimetic (MM-589) Targeting the WD Repeat Domain 5 Protein (WDR5)-Mixed Lineage Leukemia (MLL) Protein-Protein Interaction.
J.Med.Chem., 60, 2017
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6HWH
 | | Structure of a functional obligate respiratory supercomplex from Mycobacterium smegmatis | | Descriptor: | CARDIOLIPIN, COPPER (II) ION, Co-purified unknown peptide built as polyALA, ... | | Authors: | Wiseman, B, Nitharwal, R.G, Fedotovskaya, O, Schafer, J, Guo, H, Kuang, Q, Benlekbir, S, Sjostrand, D, Adelroth, P, Rubinstein, J.L, Brzezinski, P, Hogbom, M. | | Deposit date: | 2018-10-12 | | Release date: | 2018-11-07 | | Last modified: | 2019-11-06 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structure of a functional obligate complex III2IV2respiratory supercomplex from Mycobacterium smegmatis.
Nat. Struct. Mol. Biol., 25, 2018
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1JO6
 | | Solution structure of the cytoplasmic N-terminus of the BK beta-subunit KCNMB2 | | Descriptor: | potassium large conductance calcium-activated channel, subfamily M, beta member 2 | | Authors: | Bentrop, D, Beyermann, M, Wissmann, R, Fakler, B. | | Deposit date: | 2001-07-27 | | Release date: | 2001-11-16 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | NMR structure of the "ball-and-chain" domain of KCNMB2, the beta 2-subunit of large conductance Ca2+- and voltage-activated potassium channels.
J.Biol.Chem., 276, 2001
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6C1J
 | | Crystal Structure of Ketosteroid Isomerase Y32F/Y57F/D40N mutant from Pseudomonas Putida (pKSI) bound to 3,4-dinitrophenol | | Descriptor: | 3,4-dinitrophenol, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Yabukarski, F, Pinney, M.M, Herschlag, D. | | Deposit date: | 2018-01-04 | | Release date: | 2018-07-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.063 Å) | | Cite: | Structural Coupling Throughout the Active Site Hydrogen Bond Networks of Ketosteroid Isomerase and Photoactive Yellow Protein.
J. Am. Chem. Soc., 140, 2018
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6ZQT
 | | Crystal structure of the RLIP76 Ral binding domain mutant (E427H/Q433L/K440R) in complex with RalB-GMPPNP | | Descriptor: | GLYCEROL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | | Authors: | Hurd, C, Brear, P, Revell, J, Ross, S, Mott, H, Owen, D. | | Deposit date: | 2020-07-10 | | Release date: | 2020-11-25 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Affinity maturation of the RLIP76 Ral binding domain to inform the design of stapled peptides targeting the Ral GTPases.
J.Biol.Chem., 296, 2020
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6ZQW
 | | Cryo-EM structure of immature Spondweni virus | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Genome polyprotein, prM | | Authors: | Renner, M, Dejnirattisai, W, Carrique, L, Serna Martin, I, Karia, D, Ilca, S.L, Ho, S.F, Kotecha, A, Keown, J.R, Mongkolsapaya, J, Screaton, G.R, Grimes, J.M. | | Deposit date: | 2020-07-10 | | Release date: | 2021-01-20 | | Last modified: | 2021-08-04 | | Method: | ELECTRON MICROSCOPY (7.8 Å) | | Cite: | Flavivirus maturation leads to the formation of an occupied lipid pocket in the surface glycoproteins.
Nat Commun, 12, 2021
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1JU6
 | | Human Thymidylate Synthase Complex with dUMP and LY231514, A Pyrrolo(2,3-d)pyrimidine-based Antifolate | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, PHOSPHATE ION, ... | | Authors: | Sayre, P.H, Finer-Moore, J.S, Fritz, T.A, Biermann, D, Gates, S.B, MacKellar, W.C, Patel, V.F, Stroud, R.M. | | Deposit date: | 2001-08-23 | | Release date: | 2001-09-19 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Multi-targeted antifolates aimed at avoiding drug resistance form covalent closed inhibitory complexes with human and Escherichia coli thymidylate synthases.
J.Mol.Biol., 313, 2001
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6C5V
 | | An anti-gH/gL antibody that neutralizes dual-tropic infection defines a site of vulnerability on Epstein-Barr virus | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody Fab AMMO1 heavy chain, Antibody Fab AMMO1 light chain, ... | | Authors: | Snijder, J, Ortego, M.S, Weidle, C, Stuart, A.B, Gray, M.A, McElrath, M.J, Pancera, M, Veesler, D, McGuire, A.T, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2018-01-16 | | Release date: | 2018-05-02 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (4.8 Å) | | Cite: | An Antibody Targeting the Fusion Machinery Neutralizes Dual-Tropic Infection and Defines a Site of Vulnerability on Epstein-Barr Virus.
Immunity, 48, 2018
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6IWG
 | | Crystal structure of rhesus macaque MHC class I molecule Mamu-B*05104 complexed with N-myristoylated 4-mer lipopeptide derived from SIV nef protein | | Descriptor: | 1,2-ETHANEDIOL, BORIC ACID, Beta-2-microglobulin, ... | | Authors: | Yamamoto, Y, Morita, D, Sugita, M. | | Deposit date: | 2018-12-05 | | Release date: | 2019-08-14 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Identification and Structure of an MHC Class I-Encoded Protein with the Potential to PresentN-Myristoylated 4-mer Peptides to T Cells.
J Immunol., 202, 2019
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1JAK
 | | Streptomyces plicatus beta-N-acetylhexosaminidase in Complex with (2R,3R,4S,5R)-2-acetamido-3,4-dihydroxy-5-hydroxymethyl-piperidinium chloride (IFG) | | Descriptor: | (2R,3R,4S,5R)-2-ACETAMIDO-3,4-DIHYDROXY-5-HYDROXYMETHYL-PIPERIDINE, Beta-N-acetylhexosaminidase, CHLORIDE ION, ... | | Authors: | Mark, B.L, Vocadlo, D.J, Zhao, D, Knapp, S, Withers, S.G, James, M.N. | | Deposit date: | 2001-05-30 | | Release date: | 2001-11-21 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Biochemical and structural assessment of the 1-N-azasugar GalNAc-isofagomine as a potent family 20 beta-N-acetylhexosaminidase inhibitor.
J.Biol.Chem., 276, 2001
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4RKS
 | | Crystal Structure of Mevalonate-3-Kinase from Thermoplasma acidophilum (Mevalonate Bound) | | Descriptor: | (R)-MEVALONATE, ACETATE ION, GLYCEROL, ... | | Authors: | Vinokur, J.M, Cascio, D, Sawaya, M.R, Bowie, J.U. | | Deposit date: | 2014-10-13 | | Release date: | 2014-12-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural analysis of mevalonate-3-kinase provides insight into the mechanisms of isoprenoid pathway decarboxylases.
Protein Sci., 24, 2015
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6IHE
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1JG0
 | | Crystal structure of Escherichia coli thymidylate synthase complexed with 2'-deoxyuridine-5'-monophosphate and N,O-didansyl-L-tyrosine | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, N,O-DIDANSYL-L-TYROSINE, thymidylate synthase | | Authors: | Fritz, T.A, Tondi, D, Finer-Moore, J.S, Costi, M.P, Stroud, R.M. | | Deposit date: | 2001-06-22 | | Release date: | 2002-02-08 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Predicting and harnessing protein flexibility in the design of species-specific inhibitors of thymidylate synthase.
Chem.Biol., 8, 2001
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6ZKE
 | | Complex I during turnover, open2 | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | | Authors: | Kampjut, D, Sazanov, L.A. | | Deposit date: | 2020-06-30 | | Release date: | 2020-10-07 | | Last modified: | 2020-11-11 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | The coupling mechanism of mammalian respiratory complex I.
Science, 370, 2020
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6ZKK
 | | Complex I inhibited by rotenone, closed | | Descriptor: | (2R,6aS,12aS)-8,9-dimethoxy-2-(prop-1-en-2-yl)-1,2,12,12a-tetrahydrofuro[2',3':7,8][1]benzopyrano[2,3-c][1]benzopyran-6(6aH)-one, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, ... | | Authors: | Kampjut, D, Sazanov, L.A. | | Deposit date: | 2020-06-30 | | Release date: | 2020-10-07 | | Last modified: | 2020-11-11 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | The coupling mechanism of mammalian respiratory complex I.
Science, 370, 2020
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6ZKS
 | | Deactive complex I, open1 | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, ADENOSINE MONOPHOSPHATE, ... | | Authors: | Kampjut, D, Sazanov, L.A. | | Deposit date: | 2020-06-30 | | Release date: | 2020-10-07 | | Last modified: | 2020-11-11 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | The coupling mechanism of mammalian respiratory complex I.
Science, 370, 2020
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6ZL5
 | | CRYSTAL STRUCTURE OF KRAS-G12D(C118S) IN COMPLEX WITH BI-2852 AND GDP | | Descriptor: | (3~{S})-3-[2-[[[1-[(1-methylimidazol-4-yl)methyl]indol-6-yl]methylamino]methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Kessler, D, Fischer, G, Boettcher, J. | | Deposit date: | 2020-06-30 | | Release date: | 2020-08-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.645 Å) | | Cite: | Drugging all RAS isoforms with one pocket.
Future Med Chem, 12, 2020
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1JF7
 | | HUMAN PTP1B CATALYTIC DOMAIN COMPLEXED WITH PNU177836 | | Descriptor: | 5-(2-{2-[(TERT-BUTOXY-HYDROXY-METHYL)-AMINO]-1-HYDROXY-3-PHENYL-PROPYLAMINO}-3-HYDROXY-3-PENTYLAMINO-PROPYL)-2-CARBOXYMETHOXY-BENZOIC ACID, PROTEIN-TYROSINE PHOSPHATASE 1B | | Authors: | Larsen, S.D, Barf, T, Liljebris, C, May, P.D, Ogg, D, O'Sullivan, T.J, Palazuk, B.J, Schostarez, H.J, Stevens, F.C, Bleasdale, J.E. | | Deposit date: | 2001-06-20 | | Release date: | 2002-02-13 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Synthesis and biological activity of a novel class of small molecular weight peptidomimetic competitive inhibitors of protein tyrosine phosphatase 1B.
J.Med.Chem., 45, 2002
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6CFR
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6CFU
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6CH0
 | | Structure of the Quorum Quenching lactonase from Alicyclobacillus acidoterrestris bound to a glycerol molecule | | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase, COBALT (II) ION, ... | | Authors: | Bergonzi, C, Schwab, M, Naik, T, Daude, D, Chabriere, E, Elias, M. | | Deposit date: | 2018-02-21 | | Release date: | 2018-08-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural and Biochemical Characterization of AaL, a Quorum Quenching Lactonase with Unusual Kinetic Properties.
Sci Rep, 8, 2018
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1J9V
 | | Solution structure of a lactam analogue (DabD) of HIV gp41 600-612 loop. | | Descriptor: | DabD (Ace)IWG(DAB)SGKLIDTTA ANALOGUE OF HIV GP41 | | Authors: | Phan Chan Du, A, Limal, D, Semetey, V, Dali, H, Jolivet, M, Desgranges, C, Cung, M.T, Briand, J.P, Petit, M.C, Muller, S. | | Deposit date: | 2001-05-29 | | Release date: | 2003-07-01 | | Last modified: | 2021-10-27 | | Method: | SOLUTION NMR | | Cite: | Structural and immunological characterisation of heteroclitic peptide analogues corresponding to the 600-612 region of the HIV envelope gp41 glycoprotein.
J.Mol.Biol., 323, 2002
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6Z67
 | | FtsE structure of Streptococcus pneumoniae in complex with AMPPNP at 2.4 A resolution | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Cell division ATP-binding protein FtsE, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Alcorlo, M, Straume, D, Havarstein, L.S, Hermoso, j.A. | | Deposit date: | 2020-05-28 | | Release date: | 2020-09-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Characterization of the Essential Cell Division Protein FtsE and Its Interaction with FtsX in Streptococcus pneumoniae.
Mbio, 11, 2020
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1JB4
 | | CRYSTAL STRUCTURE OF NTF2 M102E MUTANT | | Descriptor: | NUCLEAR TRANSPORT FACTOR 2 | | Authors: | Chaillan-Huntington, C, Butler, P.J, Huntington, J.A, Akin, D, Feldherr, C, Stewart, M. | | Deposit date: | 2001-06-01 | | Release date: | 2002-03-13 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | NTF2 monomer-dimer equilibrium.
J.Mol.Biol., 314, 2001
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6ZDG
 | | Association of three complexes of largely structurally disordered Spike ectodomain with bound EY6A Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, EY6A heavy chain, EY6A light chain, ... | | Authors: | Duyvesteyn, H.M.E, Zhou, D, Zhao, Y, Fry, E.E, Ren, J, Stuart, D.I. | | Deposit date: | 2020-06-14 | | Release date: | 2020-07-29 | | Last modified: | 2021-12-22 | | Method: | ELECTRON MICROSCOPY (4.7 Å) | | Cite: | Structural basis for the neutralization of SARS-CoV-2 by an antibody from a convalescent patient.
Nat.Struct.Mol.Biol., 27, 2020
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