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6QDD
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BU of 6qdd by Molmil
Leishmania major N-myristoyltransferase in complex with thienopyrimidine inhibitor IMP-0000105
Descriptor: 2-[(2~{S})-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]-2,3-dihydropyrrol-2-yl]ethanenitrile, DIMETHYL SULFOXIDE, Glycylpeptide N-tetradecanoyltransferase, ...
Authors:Brannigan, J.A.
Deposit date:2019-01-01
Release date:2020-05-06
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Novel Thienopyrimidine Inhibitors of Leishmania N -Myristoyltransferase with On-Target Activity in Intracellular Amastigotes.
J.Med.Chem., 63, 2020
6QDC
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BU of 6qdc by Molmil
Leishmania major N-myristoyltransferase in complex with thienopyrimidine inhibitor IMP-0000101
Descriptor: 3-[[2-[(1-ethylpiperidin-4-yl)-methyl-amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile, Glycylpeptide N-tetradecanoyltransferase, MAGNESIUM ION, ...
Authors:Brannigan, J.A.
Deposit date:2019-01-01
Release date:2020-05-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Novel Thienopyrimidine Inhibitors of Leishmania N -Myristoyltransferase with On-Target Activity in Intracellular Amastigotes.
J.Med.Chem., 63, 2020
6YRZ
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BU of 6yrz by Molmil
Crystal structure of FAP et pH 8.5 after illumination at 150K
Descriptor: CARBON DIOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, Fatty acid photodecarboxylase, ...
Authors:Sorigue, D, Legrand, P, Blangy, S, Beisson, F, Arnoux, P.
Deposit date:2020-04-20
Release date:2021-04-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.824 Å)
Cite:Mechanism and dynamics of fatty acid photodecarboxylase.
Science, 372, 2021
6YS1
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BU of 6ys1 by Molmil
Crystal structure of FAP R451K mutant in the dark at 100K
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Fatty acid Photodecarboxylase, STEARIC ACID, ...
Authors:Sorigue, D, Gotthard, G, Blangy, S, Nurizzo, D, Royant, A, Beisson, F, Arnoux, P.
Deposit date:2020-04-20
Release date:2021-04-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Mechanism and dynamics of fatty acid photodecarboxylase.
Science, 372, 2021
6C5W
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BU of 6c5w by Molmil
Crystal structure of the mitochondrial calcium uniporter
Descriptor: CALCIUM ION, calcium uniporter, nanobody
Authors:Fan, C, Fan, M, Fastman, N, Zhang, J, Feng, L.
Deposit date:2018-01-17
Release date:2018-07-11
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (3.10010242 Å)
Cite:X-ray and cryo-EM structures of the mitochondrial calcium uniporter.
Nature, 559, 2018
6YOP
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BU of 6yop by Molmil
Structure of SAMM50 LIR bound to GABARAP
Descriptor: Sorting and assembly machinery component 50 homolog,Gamma-aminobutyric acid receptor-associated protein
Authors:Mouilleron, S, Wenxin, Z, Johansen, T, Tooze, S, Abudu, Y.P, Lamark, T.
Deposit date:2020-04-14
Release date:2021-04-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Structure of SAMM50 LIR bound to GABARAP
To Be Published
6C87
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BU of 6c87 by Molmil
Crystal structure of rab gdp dissociation inhibitor alpha from Naegleria fowleri
Descriptor: Rab GDP dissociation inhibitor alpha, SULFATE ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2018-01-24
Release date:2018-02-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of rab gdp dissociation inhibitor alpha from Naegleria fowleri
TO BE PUBLISHED
5KX9
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BU of 5kx9 by Molmil
Selective Small Molecule Inhibition of the FMN Riboswitch
Descriptor: (6P)-2-{(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-3-yl}-6-(thiophen-2-yl)pyrimidin-4-ol, FMN Riboswitch, MAGNESIUM ION, ...
Authors:Fischmann, T.O.
Deposit date:2016-07-20
Release date:2016-08-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Atomic resolution mechanistic studies of ribocil: A highly selective unnatural ligand mimic of the E. coli FMN riboswitch.
Rna Biol., 13, 2016
5L84
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BU of 5l84 by Molmil
Structure of the H959F variant of the PpsC dehydratase domain from Mycobacterium tuberculosis
Descriptor: Phthiocerol synthesis polyketide synthase type I PpsC
Authors:Faille, A, Gavalda, S, Mourey, L, Pedelacq, J.D.
Deposit date:2016-06-07
Release date:2017-08-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Insights into Substrate Modification by Dehydratases from Type I Polyketide Synthases.
J. Mol. Biol., 429, 2017
6QGG
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BU of 6qgg by Molmil
Structure of human Bcl-2 in complex with analogue of ABT-737
Descriptor: Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Bcl-2-like protein 1, [(3~{R})-3-[[4-[[4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]phenyl]carbonylsulfamoyl]-2-nitro-phenyl]amino]-4-phenylsulfanyl-butyl]-(2-hydroxy-2-oxoethyl)-dimethyl-azanium
Authors:Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E.
Deposit date:2019-01-11
Release date:2019-06-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
5KYB
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BU of 5kyb by Molmil
Crystal structure of the apo-form of USP7 catalytic domain [V302K] mutant
Descriptor: GLYCEROL, Ubiquitin carboxyl-terminal hydrolase 7
Authors:Rouge, L, Ozen, A.
Deposit date:2016-07-21
Release date:2017-08-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Selectively Modulating Conformational States of USP7 Catalytic Domain for Activation.
Structure, 26, 2018
5LB6
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BU of 5lb6 by Molmil
HIF prolyl hydroxylase 2 (PHD2/EGLN1) R371H variant in complex with Mn(II) and N-[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]glycine (IOX3/UN9)
Descriptor: Egl nine homolog 1, GLYCEROL, MANGANESE (II) ION, ...
Authors:Chowdhury, R, Schofield, C.J.
Deposit date:2016-06-15
Release date:2016-08-31
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis for oxygen degradation domain selectivity of the HIF prolyl hydroxylases.
Nat Commun, 7, 2016
6Y1U
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BU of 6y1u by Molmil
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
6Y1V
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BU of 6y1v by Molmil
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
6Y1I
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BU of 6y1i by Molmil
Human Eg5 motor domain mutant R234C
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, MAGNESIUM ION
Authors:Garcia-Saez, I, Skoufias, D.A.
Deposit date:2020-02-12
Release date:2021-06-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:Human Eg5 motor domain mutant R234C
To Be Published
6G7H
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BU of 6g7h by Molmil
Retinal isomerization in bacteriorhodopsin revealed by a femtosecond X-ray laser: resting state structure
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, ...
Authors:Nogly, P, Weinert, T, James, D, Cabajo, S, Ozerov, D, Furrer, A, Gashi, D, Borin, V, Skopintsev, P, Jaeger, K, Nass, K, Bath, P, Bosman, R, Koglin, J, Seaberg, M, Lane, T, Kekilli, D, Bruenle, S, Tanaka, T, Wu, W, Milne, C, White, T, Barty, A, Weierstall, U, Panneels, V, Nango, E, Iwata, S, Hunter, M, Schapiro, I, Schertler, G, Neutze, R, Standfuss, J.
Deposit date:2018-04-06
Release date:2018-06-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Retinal isomerization in bacteriorhodopsin captured by a femtosecond x-ray laser.
Science, 361, 2018
5KJ8
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BU of 5kj8 by Molmil
Structure of the Ca2+-bound synaptotagmin-1 SNARE complex (long unit cell form) - from synchrotron diffraction
Descriptor: CALCIUM ION, Synaptosomal-associated protein 25, Synaptotagmin-1, ...
Authors:Lyubimov, A.Y, Uervirojnangkoorn, M, Zhou, Q, Zhao, M, Sauter, N.K, Brewster, A.S, Weis, W.I, Brunger, A.T.
Deposit date:2016-06-17
Release date:2016-10-19
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (4.1 Å)
Cite:Advances in X-ray free electron laser (XFEL) diffraction data processing applied to the crystal structure of the synaptotagmin-1 / SNARE complex.
Elife, 5, 2016
5L20
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BU of 5l20 by Molmil
Crystal Structure of a Clostripain (BT_0727) from Bacteroides thetaiotaomicron ATCC 29148 in Complex with Peptide Inhibitor BTN-VLTK-AOMK
Descriptor: Clostripain-related protein, Peptide Inhibitor BTN-VLTK-AOMK
Authors:Wolan, D.W, Roncase, E.J.
Deposit date:2016-07-29
Release date:2017-08-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal Structure of a Clostripain (BT_0727) from Bacteroides thetaiotaomicron ATCC 29148 in Complex with Peptide Inhibitor BTN-VLTK-AOMK
To be published
6BUC
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BU of 6buc by Molmil
Structure of a new ShKT peptide from the sea anemone Oulactis sp.
Descriptor: OspTx2b
Authors:Krishnarjuna, B, Norton, R.S.
Deposit date:2017-12-10
Release date:2018-05-30
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Synthesis, folding, structure and activity of a predicted peptide from the sea anemone Oulactis sp. with an ShKT fold.
Toxicon, 150, 2018
6PX4
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BU of 6px4 by Molmil
Crystal structure of the complex between periplasmic domains of antiholin RI and holin T from T4 phage, in H32
Descriptor: Antiholin, Holin
Authors:Krieger, I.V, Sacchettini, J.C.
Deposit date:2019-07-24
Release date:2020-06-24
Last modified:2020-08-12
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The Structural Basis of T4 Phage Lysis Control: DNA as the Signal for Lysis Inhibition.
J.Mol.Biol., 432, 2020
6FOW
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BU of 6fow by Molmil
The crystal structure of EncM complexed with dioxygen under 10 bar of oxygen pressure.
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, OXYGEN MOLECULE, Putative FAD-dependent oxygenase EncM
Authors:Saleem-Batcha, R, Teufel, R.
Deposit date:2018-02-08
Release date:2018-05-02
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Enzymatic control of dioxygen binding and functionalization of the flavin cofactor.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6YMC
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BU of 6ymc by Molmil
26-mer stem-loop RNA
Descriptor: BARIUM ION, RNA (26-MER)
Authors:Janowski, R, Niessing, D.
Deposit date:2020-04-08
Release date:2022-04-20
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2 Å)
Cite:Multiple intrinsically disordered RNA-binding motifs cooperate as RNA-folding catalyst and mediate phase transition
To Be Published
6YQ5
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BU of 6yq5 by Molmil
Hybrid structure of the SPP1 tail tube by solid-state NMR and cryo EM - NMR Ensemble
Descriptor: Tail tube protein gp17.1*
Authors:Zinke, M, Sachowsky, K.A.A, Zinn-Justin, S, Ravelli, R, Schroder, G.F, Habeck, M, Lange, A.
Deposit date:2020-04-16
Release date:2020-10-14
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (4 Å), SOLID-STATE NMR
Cite:Architecture of the flexible tail tube of bacteriophage SPP1.
Nat Commun, 11, 2020
6FRA
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BU of 6fra by Molmil
F11 T-Cell Receptor Recognising PKYVKQNTLKLAT Peptide Presented by HLA-DR*0101
Descriptor: 1,2-ETHANEDIOL, Human T-Cell Receptor F11 alpha Chain, Human T-Cell Receptor F11 beta Chain, ...
Authors:Rizkallah, P.J, Cole, D.K.
Deposit date:2018-02-15
Release date:2018-04-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:In Silicoand Structural Analyses Demonstrate That Intrinsic Protein Motions Guide T Cell Receptor Complementarity Determining Region Loop Flexibility.
Front Immunol, 9, 2018
6CB0
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BU of 6cb0 by Molmil
Crystal Structure of the FAK FERM domain
Descriptor: Focal adhesion kinase 1
Authors:Dementiev, A, Marlowe, T.
Deposit date:2018-02-01
Release date:2019-02-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:High resolution crystal structure of the FAK FERM domain reveals new insights on the Druggability of tyrosine 397 and the Src SH3 binding site.
BMC Mol Cell Biol, 20, 2019

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PDB entries from 2024-08-28

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