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8VLD
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BU of 8vld by Molmil
Crystal structure of Ash1L PHD finger in complex with histone H3K4me2
Descriptor: Histone H3.3C, Histone-lysine N-methyltransferase ASH1L, ZINC ION
Authors:Vann, K.R, Kutateladze, T.G.
Deposit date:2024-01-11
Release date:2025-03-19
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structure-function relationship of ASH1L and histone H3K36 and H3K4 methylation.
Nat Commun, 16, 2025
4N6Q
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BU of 4n6q by Molmil
Crystal structure of VosA velvet domain
Descriptor: IODIDE ION, NITRATE ION, VosA
Authors:Ahmed, Y.L, Dickmanns, A, Neumann, P, Ficner, R.
Deposit date:2013-10-14
Release date:2014-01-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:The Velvet Family of Fungal Regulators Contains a DNA-Binding Domain Structurally Similar to NF-kappa B.
Plos Biol., 11, 2013
4V9O
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BU of 4v9o by Molmil
Control of ribosomal subunit rotation by elongation factor G
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Pulk, A, Cate, J.H.D.
Deposit date:2013-05-03
Release date:2014-07-09
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Control of ribosomal subunit rotation by elongation factor G.
Science, 340, 2013
8VGS
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BU of 8vgs by Molmil
CABP-bound Decameric Rubisco from Candidatus Methanofastidiosum methylthiophilus
Descriptor: 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, Ribulose bisphosphate carboxylase
Authors:Kaeser, B.P, Liu, A.K, Shih, P.M.
Deposit date:2023-12-27
Release date:2025-03-19
Last modified:2025-05-21
Method:ELECTRON MICROSCOPY (2.14 Å)
Cite:CABP-bound Decameric Rubisco from Candidatus Methanofastidiosum methylthiophilus
To Be Published
4V8I
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BU of 4v8i by Molmil
Crystal structure of YfiA bound to the 70S ribosome.
Descriptor: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S Ribosomal Protein S10, ...
Authors:Polikanov, Y.S, Blaha, G.M, Steitz, T.A.
Deposit date:2011-12-12
Release date:2014-07-09
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:How hibernation factors RMF, HPF, and YfiA turn off protein synthesis.
Science, 336, 2012
4MP3
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BU of 4mp3 by Molmil
Staphyloferrin B precursor biosynthetic enzyme selenomethionine-labeled SbnB
Descriptor: GLYCEROL, Putative ornithine cyclodeaminase, SULFATE ION
Authors:Grigg, J.C, Kobylarz, M.J, Rai, D.K, Murphy, M.E.P.
Deposit date:2013-09-12
Release date:2014-03-05
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Synthesis of L-2,3-diaminopropionic Acid, a siderophore and antibiotic precursor.
Chem.Biol., 21, 2014
8VLF
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BU of 8vlf by Molmil
Crystal structure of Ash1L PHD finger in complex with histone H3K4me3
Descriptor: Histone H3.3C, Histone-lysine N-methyltransferase ASH1L, ZINC ION
Authors:Vann, K.R, Kutateladze, T.G.
Deposit date:2024-01-11
Release date:2025-03-19
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Structure-function relationship of ASH1L and histone H3K36 and H3K4 methylation.
Nat Commun, 16, 2025
6SHV
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BU of 6shv by Molmil
T. cruzi FPPS in complex with 5-(4-fluorophenoxy)pyridin-2-amine
Descriptor: 5-(4-fluoranylphenoxy)pyridin-2-amine, Farnesyl diphosphate synthase, SULFATE ION, ...
Authors:Petrick, J.K, Muenzker, L, Schleberger, C, Cornaciu, I, Clavel, D, Marquez, J.A, Jahnke, W.
Deposit date:2019-08-08
Release date:2020-08-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.808 Å)
Cite:Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery
Thesis, 2019
8VTC
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BU of 8vtc by Molmil
Crystal structure of Mycobacterium avium dihydrofolate reductase in complex with NADPH and trimethoprim
Descriptor: CHLORIDE ION, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Erlandsen, H, Krucinska, J, Wright, D.
Deposit date:2024-01-26
Release date:2025-03-19
Method:X-RAY DIFFRACTION (2 Å)
Cite:Long Residence Time Inhibitors of Dihydrofolate Reductase Display Potent Activity Against Mycobacterium Avium.
To Be Published
4N7K
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BU of 4n7k by Molmil
Zinc Substituted Reaction Center of the Rhodobacter sphaeroides
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CARDIOLIPIN, FE (III) ION, ...
Authors:Hardjasa, A, Murphy, M.E.P.
Deposit date:2013-10-15
Release date:2014-02-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural and kinetic properties of Rhodobacter sphaeroides photosynthetic reaction centers containing exclusively Zn-coordinated bacteriochlorophyll as bacteriochlorin cofactors.
Biochim.Biophys.Acta, 1837, 2013
8VC0
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BU of 8vc0 by Molmil
HIV-1 CA crosslinked pentamer in complex with GS-CA1
Descriptor: Capsid protein p24, N-[(1S)-1-{(3M)-3-{4-chloro-3-[(cyclopropanesulfonyl)amino]-1-(2,2-difluoroethyl)-1H-indazol-7-yl}-6-[3-(methanesulfonyl)-3-methylbut-1-yn-1-yl]pyridin-2-yl}-2-(3,5-difluorophenyl)ethyl]-2-[(3bS,4aR)-3-(difluoromethyl)-5,5-difluoro-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide
Authors:Piacentini, J, Ganser-Pornillos, B.K, Pornillos, O.
Deposit date:2023-12-13
Release date:2025-03-19
Method:X-RAY DIFFRACTION (3.46 Å)
Cite:Structure of disulfide-stabilized HIV-1 CA pentamer in complex with the ultra-potent capsid inhibitor, GS-CA1
To Be Published
4N7W
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BU of 4n7w by Molmil
Crystal Structure of the sodium bile acid symporter from Yersinia frederiksenii
Descriptor: CITRIC ACID, Transporter, sodium/bile acid symporter family, ...
Authors:Zhou, X, Levin, E.J, Zhou, M, New York Consortium on Membrane Protein Structure (NYCOMPS)
Deposit date:2013-10-16
Release date:2013-12-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.951 Å)
Cite:Structural basis of the alternating-access mechanism in a bile acid transporter.
Nature, 505, 2013
8VDV
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BU of 8vdv by Molmil
pcsk9 in complex with inhibitor
Descriptor: Inhibitor YBX-PHE-VAL-GLY-THR-THR-PHA-MAA-BIF-EME-NEH, Proprotein convertase subtilisin/kexin type 9
Authors:Xu, M, Chopra, R.
Deposit date:2023-12-18
Release date:2025-03-26
Method:X-RAY DIFFRACTION (1.972 Å)
Cite:PCSK9 in complex with inhibitor
To Be Published
8VYY
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BU of 8vyy by Molmil
The crystal structure of MarE in complex with its native substrate, beta-methyl-L-tryptophan
Descriptor: (betaS)-beta-methyl-L-tryptophan, PROTOPORPHYRIN IX CONTAINING FE, Tryptophan 2,3-dioxygenase
Authors:Shin, I, Liu, A.
Deposit date:2024-02-09
Release date:2025-04-02
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural insights into 2-oxindole-forming monooxygenase MarE: Divergent architecture and substrate positioning versus tryptophan dioxygenases.
J.Biol.Chem., 301, 2025
4MPO
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BU of 4mpo by Molmil
1.90 A resolution structure of CT771 from Chlamydia trachomatis Bound to Hydrolyzed Ap4A Products
Descriptor: ADENOSINE MONOPHOSPHATE, CHLORIDE ION, CT771, ...
Authors:Barta, M.L, Lovell, S, Battaile, K.P, Hefty, P.S.
Deposit date:2013-09-13
Release date:2014-01-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Chlamydia trachomatis CT771 (nudH) Is an Asymmetric Ap4A Hydrolase.
Biochemistry, 53, 2014
8VLH
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BU of 8vlh by Molmil
Crystal structure of Ash1L PHD-BAH domains
Descriptor: Histone-lysine N-methyltransferase ASH1L, STRONTIUM ION, ZINC ION
Authors:Vann, K.R, Tencer, A.H, Kutateladze, T.G.
Deposit date:2024-01-11
Release date:2025-03-19
Method:X-RAY DIFFRACTION (2.403 Å)
Cite:Structure-function relationship of ASH1L and histone H3K36 and H3K4 methylation.
Nat Commun, 16, 2025
4N8I
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BU of 4n8i by Molmil
M31G mutant, RipA structure
Descriptor: 4-hydroxybutyrate coenzyme A transferase, ACETATE ION, COENZYME A
Authors:Torres, R, Goulding, C.W.
Deposit date:2013-10-17
Release date:2014-04-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.011 Å)
Cite:Structural snapshots along the reaction pathway of Yersinia pestis RipA, a putative butyryl-CoA transferase.
Acta Crystallogr.,Sect.D, 70, 2014
8VI1
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BU of 8vi1 by Molmil
Crystal structure of c-Met-D1228N in complex with KIN-7615
Descriptor: Hepatocyte growth factor receptor, N-(3,5-difluoro-4-{[6-(2-hydroxyethoxy)-7-methoxyquinolin-4-yl]oxy}phenyl)-4-methoxypyridine-3-carboxamide
Authors:Ouyang, X, Kania, R, Cox, J.
Deposit date:2024-01-02
Release date:2025-04-02
Last modified:2025-06-25
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Discovery of KIN-8741, a Highly Selective Type IIb c-Met Kinase Inhibitor with Broad Mutation Coverage and Quality Drug-Like Properties for the Treatment of Cancer.
J.Med.Chem., 68, 2025
8W11
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BU of 8w11 by Molmil
Structure of human PIN1 covalently derivatized with SuFEx compound
Descriptor: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 3-(fluorosulfonyl)-5-[(2-oxo-2H-1-benzopyran-3-yl)carbamoyl]benzoic acid, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ...
Authors:Louie, G.V, Noel, J.P, Wang, W.-M, Kelly, J.W.
Deposit date:2024-02-14
Release date:2025-04-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of human PIN1 covalently derivatized with SuFEx compound
To be published
6SJZ
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BU of 6sjz by Molmil
HsNMT1 in complex with both MyrCoA and Acetylated-GNCFSKPR substrates
Descriptor: Apoptosis-inducing factor 3, CHLORIDE ION, GLYCEROL, ...
Authors:Dian, C, Riviere, F.B, Asensio, T, Giglione, C, Meinnel, T.
Deposit date:2019-08-14
Release date:2020-03-18
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.995 Å)
Cite:High-resolution snapshots of human N-myristoyltransferase in action illuminate a mechanism promoting N-terminal Lys and Gly myristoylation.
Nat Commun, 11, 2020
4MRT
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BU of 4mrt by Molmil
Structure of the Phosphopantetheine Transferase Sfp in Complex with Coenzyme A and a Peptidyl Carrier Protein
Descriptor: 4'-phosphopantetheinyl transferase sfp, COENZYME A, GLYCEROL, ...
Authors:Tufar, P, Rahighi, S, Kraas, F.I, Kirchner, D.K, Loehr, F, Henrich, E, Koepke, J, Dikic, I, Guentert, P, Marahiel, M.A, Doetsch, V.
Deposit date:2013-09-17
Release date:2014-04-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of a PCP/Sfp Complex Reveals the Structural Basis for Carrier Protein Posttranslational Modification.
Chem.Biol., 21, 2014
8VQI
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BU of 8vqi by Molmil
CryoEM structure of BchN-BchB electron acceptor component protein of DPOR with Pchlide
Descriptor: COPPER (II) ION, IRON/SULFUR CLUSTER, Light-independent protochlorophyllide reductase subunit B, ...
Authors:Kashyap, R, Antony, E.
Deposit date:2024-01-18
Release date:2025-04-30
Last modified:2025-05-07
Method:ELECTRON MICROSCOPY (3.13 Å)
Cite:Cryo-EM captures the coordination of asymmetric electron transfer through a di-copper site in DPOR.
Nat Commun, 16, 2025
6SKD
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BU of 6skd by Molmil
Crystal Structure of Human Kallikrein 6 (I218Y) in complex with GSK3397892A
Descriptor: 4-[[(3~{S})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]methylamino]benzenecarboximidamide, GLYCEROL, Kallikrein-6, ...
Authors:Thorpe, J.H.
Deposit date:2019-08-15
Release date:2019-09-25
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Design and development of a series of borocycles as selective, covalent kallikrein 5 inhibitors.
Bioorg.Med.Chem.Lett., 29, 2019
8VQJ
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BU of 8vqj by Molmil
CryoEM structure of DPOR under turnover
Descriptor: COPPER (II) ION, IRON/SULFUR CLUSTER, Light-independent protochlorophyllide reductase iron-sulfur ATP-binding protein, ...
Authors:Kashyap, R, Antony, E.
Deposit date:2024-01-18
Release date:2025-04-30
Last modified:2025-06-04
Method:ELECTRON MICROSCOPY (3.82 Å)
Cite:Cryo-EM captures the coordination of asymmetric electron transfer through a di-copper site in DPOR.
Nat Commun, 16, 2025
4NB0
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BU of 4nb0 by Molmil
Crystal Structure of FosB from Staphylococcus aureus with BS-Cys9 disulfide at 1.62 Angstrom Resolution
Descriptor: CYSTEINE, GLYCEROL, Metallothiol transferase FosB, ...
Authors:Thompson, M.K, Goodman, M.C, Jagessar, K, Harp, J, Keithly, M.E, Cook, P.D, Armstrong, R.N.
Deposit date:2013-10-22
Release date:2014-02-26
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Structure and Function of the Genomically Encoded Fosfomycin Resistance Enzyme, FosB, from Staphylococcus aureus.
Biochemistry, 53, 2014

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数据于2025-10-08公开中

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