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8A1H
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BU of 8a1h by Molmil
Bacterial 6-4 photolyase from Vibrio cholerase
Descriptor: 1-deoxy-1-(6,7-dimethyl-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl)-D-ribitol, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 6-4 photolyase (FeS-BCP, ...
Authors:Essen, L.-O, Emmerich, H.J.
Deposit date:2022-06-01
Release date:2023-02-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural and Functional Analysis of a Prokaryotic (6-4) Photolyase from the Aquatic Pathogen Vibrio Cholerae † .
Photochem.Photobiol., 99, 2023
8A8L
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BU of 8a8l by Molmil
Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with a heme-coordinated fragment
Descriptor: 6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole, Cytochrome P450 protein, GLYCEROL, ...
Authors:Snee, M, Katariya, M, Levy, C.
Deposit date:2022-06-23
Release date:2023-07-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with a heme-coordinated fragment
To Be Published
8A6W
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BU of 8a6w by Molmil
Crystal structure of CYP142 from Mycobacterium tuberculosis in complex with cholestenone
Descriptor: (8ALPHA,9BETA)-CHOLEST-4-EN-3-ONE, PROTOPORPHYRIN IX CONTAINING FE, Steroid C26-monooxygenase
Authors:Snee, M, Amadi, C, Levy, C.
Deposit date:2022-06-20
Release date:2023-07-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Crystal structure of CYP142 from Mycobacterium tuberculosis in complex with cholestenone
To Be Published
7ZJU
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BU of 7zju by Molmil
Structure of human USPL1 in covalent complex with SUMO3-2Br probe
Descriptor: 2-bromanylethanamine, CALCIUM ION, CHLORIDE ION, ...
Authors:Zhao, Z, Gersch, M.
Deposit date:2022-04-12
Release date:2023-09-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Native Semisynthesis of Isopeptide-Linked Substrates for Specificity Analysis of Deubiquitinases and Ubl Proteases.
J.Am.Chem.Soc., 145, 2023
8B1V
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BU of 8b1v by Molmil
Dihydroprecondylocarpine acetate synthase 2 from Tabernanthe iboga
Descriptor: Dihydroprecondylocarpine acetate synthase 2, ZINC ION, precondylocarpine acetate
Authors:Langley, C, Basquin, J, Caputi, L, O'Connor, S.E.
Deposit date:2022-09-12
Release date:2022-10-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.882 Å)
Cite:Expansion of the Catalytic Repertoire of Alcohol Dehydrogenases in Plant Metabolism.
Angew.Chem.Int.Ed.Engl., 61, 2022
8AHW
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BU of 8ahw by Molmil
Structure of DCS-resistant variant D322N of alanine racemase from Mycobacterium tuberculosis
Descriptor: 1,2-ETHANEDIOL, Alanine racemase, GLYCEROL
Authors:de Chiara, C, Prosser, G, Ogrodowicz, R.W, de Carvalho, L.P.S.
Deposit date:2022-07-22
Release date:2023-04-05
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Structure of the d-Cycloserine-Resistant Variant D322N of Alanine Racemase from Mycobacterium tuberculosis .
Acs Bio Med Chem Au, 3, 2023
8ASO
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BU of 8aso by Molmil
Nickel(II) bound to a non-canonical quadruplex
Descriptor: COBALT HEXAMMINE(III), DNA (5'-D(*GP*CP*AP*TP*GP*CP*T)-3'), NICKEL (II) ION
Authors:Lambert, M.C, Hall, J.P.
Deposit date:2022-08-19
Release date:2023-08-30
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Identifying metal-DNA binding sites, what is the best method to get transition metals into a crystal system?
To Be Published
8ASM
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BU of 8asm by Molmil
Cobalt(II) bound to a non-canonical quadruplex
Descriptor: COBALT (II) ION, COBALT HEXAMMINE(III), DNA (5'-D(*GP*CP*AP*TP*GP*CP*T)-3')
Authors:Lambert, M.C, Hall, J.P.
Deposit date:2022-08-19
Release date:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Identifying metal-DNA binding sites, what is the best method to get transition metals into a crystal system?
To Be Published
8AMS
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BU of 8ams by Molmil
Complex of human TRIM2 RING domain, UBCH5C, and Ubiquitin
Descriptor: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, GLYCEROL, Polyubiquitin-C, ...
Authors:Perez-Borrajero, C, Kotova, I, Murciano, B, Hennig, J.
Deposit date:2022-08-04
Release date:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural and biophysical studies of TRIM2 and TRIM3
To Be Published
8B21
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BU of 8b21 by Molmil
Time-resolved structure of K+-dependent Na+-PPase from Thermotoga maritima 0-60-seconds post reaction initiation with Na+
Descriptor: DI(HYDROXYETHYL)ETHER, DODECYL-BETA-D-MALTOSIDE, K(+)-stimulated pyrophosphate-energized sodium pump, ...
Authors:Strauss, J, Vidilaseris, K, Goldman, A.
Deposit date:2022-09-12
Release date:2024-01-17
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Functional and structural asymmetry suggest a unifying principle for catalysis in membrane-bound pyrophosphatases.
Embo Rep., 25, 2024
8ERX
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BU of 8erx by Molmil
Structure of chimeric HLA-A*11:01-A*02:01 bound to HIV-1 RT peptide
Descriptor: Beta-2-microglobulin, HIV-1 RT, HLA-A*02:01
Authors:Florio, T.J, Ani, O, Young, M.C, Mallik, L, Sgourakis, N.G.
Deposit date:2022-10-13
Release date:2023-01-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Decoupling peptide binding from T cell receptor recognition with engineered chimeric MHC-I molecules.
Front Immunol, 14, 2023
7ABB
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BU of 7abb by Molmil
The truncated structure of the Bottromycin biosynthetic protein SalCYP
Descriptor: HEME C, SalCYP truncation
Authors:Adam, S, Koehnke, J.
Deposit date:2020-09-07
Release date:2020-12-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.50004339 Å)
Cite:Characterization of the Stereoselective P450 Enzyme BotCYP Enables the In Vitro Biosynthesis of the Bottromycin Core Scaffold.
J.Am.Chem.Soc., 142, 2020
7R7M
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BU of 7r7m by Molmil
Crystal structure of Triosephosphate isomerase from Candidate division Katanobacteria (WWE3) bacterium
Descriptor: PHOSPHATE ION, Triosephosphate isomerase
Authors:Vickers, C.J, Patrick, W.M, Fraga, D.
Deposit date:2021-06-24
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of WweTPI - Candidate division WWE3
To Be Published
7RVA
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BU of 7rva by Molmil
Updated Crystal Structure of Replication Initiator Protein REPE54.
Descriptor: DNA (5'-D(*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*T)-3'), DNA (5'-D(*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*T)-3'), MAGNESIUM ION, ...
Authors:Ward, A.R, Snow, C.D.
Deposit date:2021-08-18
Release date:2021-09-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Stabilizing DNA-Protein Co-Crystals via Intra-Crystal Chemical Ligation of the DNA
Crystals, 12, 2022
7SGC
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BU of 7sgc by Molmil
Replication Initiator Protein REPE54 and cognate DNA sequence with terminal five prime phosphates.
Descriptor: DNA (5'-D(P*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*G)-3'), DNA (5'-D(P*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*G)-3'), MAGNESIUM ION, ...
Authors:Ward, A.R, Snow, C.D.
Deposit date:2021-10-05
Release date:2021-10-13
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Stabilizing DNA-Protein Co-Crystals via Intra-Crystal Chemical Ligation of the DNA
Crystals, 12, 2022
7PQE
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BU of 7pqe by Molmil
Structure of SidJ/CaM bound to SdeA in post-catalysis state
Descriptor: CALCIUM ION, Calmodulin, Calmodulin-dependent glutamylase SidJ, ...
Authors:Adams, M, Bhogaraju, S.
Deposit date:2021-09-17
Release date:2021-10-06
Last modified:2021-11-17
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural basis for protein glutamylation by the Legionella pseudokinase SidJ.
Nat Commun, 12, 2021
7SQM
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BU of 7sqm by Molmil
Discovery and Preclinical Pharmacology of INE963, A Potent and Fast-Acting Blood-Stage Antimalarial with a High Barrier to Resistance and Potential for Single-Dose Cure in Uncomplicated Malaria
Descriptor: 1-[(4S)-5-(2,4-difluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-4-methylpiperidin-4-amine, GLYCEROL, Serine/threonine-protein kinase haspin
Authors:Shu, W, Yokokawa, F.
Deposit date:2021-11-05
Release date:2021-12-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Failure of artesunate-mefloquine combination therapy for uncompli-cated Plasmodium falciparum malaria in southern Cambodia.
Malar. J., 2009, 8, 10, 2009
7T7U
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BU of 7t7u by Molmil
Light Harvesting complex phycocyanin PC 630, from the cryptophyte Chroomonas sp. M1627
Descriptor: DiCys-(15,16)-Dihydrobiliverdin, GLYCEROL, PHYCOCYANOBILIN, ...
Authors:Michie, K.A, Harrop, S.J, Rathbone, H.W, Wilk, K.E, Curmi, P.M.G.
Deposit date:2021-12-15
Release date:2023-02-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular structures reveal the origin of spectral variation in cryptophyte light harvesting antenna proteins.
Protein Sci., 32, 2023
7SSF
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BU of 7ssf by Molmil
Light harvesting phycobiliprotein HaPE560 from the cryptophyte Hemiselmis andersenii CCMP644
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DiCys-(15,16)-Dihydrobiliverdin, ...
Authors:Rathbone, H.W, Michie, K.A, Laos, A.L, Curmi, P.M.G.
Deposit date:2021-11-10
Release date:2023-10-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Molecular dissection of the soluble photosynthetic antenna from the cryptophyte alga Hemiselmis andersenii
Commun Biol, 2023
7SUT
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BU of 7sut by Molmil
Light harvesting phycobiliprotein HaPE645 from the cryptophyte Hemiselmis andersenii CCMP644
Descriptor: (15,16)-DIHYDROBILIVERDIN (SINGLY LINKED), 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
Authors:Rathbone, H.W, Michie, K.A, Laos, A.L, Curmi, P.M.G.
Deposit date:2021-11-18
Release date:2023-10-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Molecular dissection of the soluble photosynthetic antenna from the cryptophyte alga Hemiselmis andersenii.
Commun Biol, 6, 2023
6T6Z
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BU of 6t6z by Molmil
Structure of the Bottromycin epimerase BotH in complex with a bottromycin A2 derivative
Descriptor: BotH, Bottromycin A2 derivative
Authors:Koehnke, J, Sikandar, A.
Deposit date:2019-10-20
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The bottromycin epimerase BotH defines a group of atypical alpha / beta-hydrolase-fold enzymes.
Nat.Chem.Biol., 16, 2020
7S86
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BU of 7s86 by Molmil
Crystal structure of hydrophobin SC16, C2221
Descriptor: 1,2-ETHANEDIOL, Hydrophobin, SODIUM ION
Authors:Vergunst, K.L, Langelaan, D.N.
Deposit date:2021-09-17
Release date:2021-12-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:The N-terminal tail of the hydrophobin SC16 is not required for rodlet formation
Sci Rep, 12, 2022
6T6Y
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BU of 6t6y by Molmil
Structure of the Bottromycin epimerase BotH in complex with Bottromycin A2
Descriptor: BotH, Bottromycin A2
Authors:Koehnke, J, Sikandar, A.
Deposit date:2019-10-20
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The bottromycin epimerase BotH defines a group of atypical alpha / beta-hydrolase-fold enzymes.
Nat.Chem.Biol., 16, 2020
7S7S
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BU of 7s7s by Molmil
Crystal structure of hydrophobin SC16, P21212
Descriptor: Hydrophobin
Authors:Vergunst, K.L, Langelaan, D.N.
Deposit date:2021-09-17
Release date:2022-01-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The N-terminal tail of the hydrophobin SC16 is not required for rodlet formation.
Sci Rep, 12, 2022
6T6X
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BU of 6t6x by Molmil
Structure of the Bottromycin epimerase BotH in complex with substrate
Descriptor: (4~{R})-2-[(1~{R})-1-[[(2~{S})-2-[[(2~{S})-3-methyl-2-[[(4~{Z},6~{S},9~{S},12~{S})-2,8,11-tris(oxidanylidene)-6,9-di(propan-2-yl)-1,4,7,10-tetrazabicyclo[10.3.0]pentadec-4-en-5-yl]amino]butanoyl]amino]-3-phenyl-propanoyl]amino]-3-oxidanyl-3-oxidanylidene-propyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid, BotH
Authors:Koehnke, J, Sikandar, A.
Deposit date:2019-10-20
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:The bottromycin epimerase BotH defines a group of atypical alpha / beta-hydrolase-fold enzymes.
Nat.Chem.Biol., 16, 2020

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