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5TDU
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BU of 5tdu by Molmil
Toluene 4-monooxygenase (T4moHD) bound to product after turnover in crystal
Descriptor: FE (III) ION, P-CRESOL, Toluene-4-monooxygenase system protein A, ...
Authors:Acheson, J.F, Fox, B.G.
Deposit date:2016-09-19
Release date:2017-03-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.742 Å)
Cite:In-crystal reaction cycle of a toluene-bound diiron hydroxylase.
Nature, 544, 2017
1CDG
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BU of 1cdg by Molmil
NUCLEOTIDE SEQUENCE AND X-RAY STRUCTURE OF CYCLODEXTRIN GLYCOSYLTRANSFERASE FROM BACILLUS CIRCULANS STRAIN 251 IN A MALTOSE-DEPENDENT CRYSTAL FORM
Descriptor: CALCIUM ION, CYCLODEXTRIN GLYCOSYL-TRANSFERASE, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Lawson, C.L, Van Montfort, R, Strokopytov, B.V, Kalk, K.H, Rozeboom, H.J, Dijkstra, B.W.
Deposit date:1993-08-02
Release date:1994-01-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Nucleotide sequence and X-ray structure of cyclodextrin glycosyltransferase from Bacillus circulans strain 251 in a maltose-dependent crystal form.
J.Mol.Biol., 236, 1994
7EPA
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BU of 7epa by Molmil
Cryo-EM structure of inactive mGlu2 homodimer
Descriptor: Metabotropic glutamate receptor 2
Authors:Du, J, Wang, D, Fan, H, Tai, L, Lin, S, Han, S, Sun, F, Wu, B, Zhao, Q.
Deposit date:2021-04-26
Release date:2021-06-23
Last modified:2021-07-07
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structures of human mGlu2 and mGlu7 homo- and heterodimers.
Nature, 594, 2021
7EPD
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BU of 7epd by Molmil
Cryo-EM structure of inactive mGlu2-7 heterodimer
Descriptor: Isoform 3 of Metabotropic glutamate receptor 7, Metabotropic glutamate receptor 2,Peptidylprolyl isomerase
Authors:Du, J, Wang, D, Fan, H, Tai, L, Lin, S, Han, S, Sun, F, Wu, B, Zhao, Q.
Deposit date:2021-04-26
Release date:2021-06-23
Last modified:2021-07-07
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structures of human mGlu2 and mGlu7 homo- and heterodimers.
Nature, 594, 2021
1JS9
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BU of 1js9 by Molmil
Brome Mosaic Virus
Descriptor: Coat protein, HEXAETHYLENE GLYCOL, MAGNESIUM ION
Authors:Lucas, R.W, Larson, S.B, McPherson, A.
Deposit date:2001-08-16
Release date:2002-04-03
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:The crystallographic structure of brome mosaic virus.
J.Mol.Biol., 317, 2002
5OCH
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BU of 5och by Molmil
The crystal structure of human ABCB8 in an outward-facing state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-binding cassette sub-family B member 8, mitochondrial, ...
Authors:Faust, B, Pike, A.C.W, Shintre, C.A, Quiqley, A.M, Chu, A, Barr, A, Shrestha, L, Mukhopadhyay, S, Borkowska, O, Chalk, R, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC)
Deposit date:2017-06-30
Release date:2018-07-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:The crystal structure of human ABCB8 in an outward-facing state
To Be Published
7WFY
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BU of 7wfy by Molmil
Crystal Structure of the VAV2 SH2 domain in complex with APP phosphorylated peptide
Descriptor: Amyloid beta A4 protein-binding family B member 1 (protein), Guanine nucleotide exchange factor VAV2
Authors:Zhang, Y.J, Liu, Y.R, Wu, B.
Deposit date:2021-12-27
Release date:2022-12-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.449 Å)
Cite:Vav2 is a novel APP-interacting protein that regulates APP protein level.
Sci Rep, 12, 2022
3DX5
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BU of 3dx5 by Molmil
Crystal structure of the probable 3-DHS dehydratase AsbF involved in the petrobactin synthesis from Bacillus anthracis
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,4-DIHYDROXYBENZOIC ACID, CHLORIDE ION, ...
Authors:Kim, Y, Maltseva, N, Stols, L, Eschenfeldt, W, Pfleger, B.F, Sherman, D.H, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2008-07-23
Release date:2008-09-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structural and functional analysis of AsbF: origin of the stealth 3,4-dihydroxybenzoic acid subunit for petrobactin biosynthesis.
Proc.Natl.Acad.Sci.USA, 105, 2008
4EQ5
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BU of 4eq5 by Molmil
DNA ligase from the archaeon Thermococcus sibiricus
Descriptor: ADENOSINE MONOPHOSPHATE, DNA ligase
Authors:Petrova, T, Bezsudnova, E.Y, Dorokhov, B.D, Slutskaya, E.S, Polyakov, K.M, Dorovatovskiy, P.V, Ravin, N.V, Skryabin, K.G, Kovalchuk, M.V, Popov, V.O.
Deposit date:2012-04-18
Release date:2012-05-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Expression, purification, crystallization and preliminary crystallographic analysis of a thermostable DNA ligase from the archaeon Thermococcus sibiricus.
Acta Crystallogr.,Sect.F, 68, 2012
3E0V
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BU of 3e0v by Molmil
Crystal structure of pyruvate kinase from Leishmania mexicana in complex with sulphate ions
Descriptor: GLYCEROL, Pyruvate kinase, SULFATE ION
Authors:Tulloch, L.B, Gillmore, L.A, Walkinshaw, M.D.
Deposit date:2008-08-01
Release date:2008-08-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Sulphate removal induces a major conformational change in Leishmania mexicana pyruvate kinase in the crystalline state.
J.Mol.Biol., 383, 2008
1PDC
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BU of 1pdc by Molmil
REFINED SOLUTION STRUCTURE AND LIGAND-BINDING PROPERTIES OF PDC-109 DOMAIN B. A COLLAGEN-BINDING TYPE II DOMAIN
Descriptor: SEMINAL FLUID PROTEIN PDC-109
Authors:Llinas, M, Constantine, K.L, Patthy, L.
Deposit date:1991-10-10
Release date:1994-01-31
Last modified:2017-11-29
Method:SOLUTION NMR
Cite:Refined solution structure and ligand-binding properties of PDC-109 domain b. A collagen-binding type II domain.
J.Mol.Biol., 223, 1992
1A72
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BU of 1a72 by Molmil
AN ACTIVE-SITE DOUBLE MUTANT (PHE93->TRP, VAL203->ALA) OF HORSE LIVER ALCOHOL DEHYDROGENASE IN COMPLEX WITH THE ISOSTERIC NAD ANALOG CPAD
Descriptor: 5-BETA-D-RIBOFURANOSYLPICOLINAMIDE ADENINE-DINUCLEOTIDE, HORSE LIVER ALCOHOL DEHYDROGENASE, ZINC ION
Authors:Colby, T.D, Bahnson, B.J, Chin, J.K, Klinman, J.P, Goldstein, B.M.
Deposit date:1998-03-19
Release date:1998-06-17
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Active site modifications in a double mutant of liver alcohol dehydrogenase: structural studies of two enzyme-ligand complexes.
Biochemistry, 37, 1998
2INQ
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BU of 2inq by Molmil
Neutron Crystal Structure of Escherichia coli Dihydrofolate Reductase Bound to the Anti-cancer drug, Methotrexate
Descriptor: Dihydrofolate reductase, N-(4-{[(2,4-DIAMINOPTERIDIN-1-IUM-6-YL)METHYL](METHYL)AMINO}BENZOYL)-L-GLUTAMIC ACID
Authors:Bennett, B.C, Langan, P.A, Coates, L, Schoenborn, B, Dealwis, C.G.
Deposit date:2006-10-08
Release date:2007-02-06
Last modified:2023-08-30
Method:NEUTRON DIFFRACTION (2.2 Å)
Cite:Neutron diffraction studies of Escherichia coli dihydrofolate reductase complexed with methotrexate.
Proc.Natl.Acad.Sci.Usa, 103, 2006
5GVV
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BU of 5gvv by Molmil
Crystal structure of the glycosyltransferase GlyE in Streptococcus pneumoniae TIGR4
Descriptor: Glycosyl transferase family 8, MANGANESE (II) ION, URIDINE-5'-DIPHOSPHATE
Authors:Jiang, Y.L, Jin, H, Zhao, R.L, Yang, H.B, Chen, Y, Zhou, C.Z.
Deposit date:2016-09-07
Release date:2017-03-01
Last modified:2017-12-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Defining the enzymatic pathway for polymorphic O-glycosylation of the pneumococcal serine-rich repeat protein PsrP.
J. Biol. Chem., 292, 2017
2W82
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BU of 2w82 by Molmil
The structure of ArdA
Descriptor: ORF18
Authors:McMahon, S.A, Roberts, G.A, Carter, L.G, Cooper, L.P, Liu, H, White, J.H, Johnson, K.A, Sanghvi, B, Oke, M, Walkinshaw, M.D, Blakely, G, Naismith, J.H, Dryden, D.T.F.
Deposit date:2009-01-08
Release date:2009-01-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Extensive DNA Mimicry by the Arda Anti-Restriction Protein and its Role in the Spread of Antibiotic Resistance.
Nucleic Acids Res., 37, 2009
9EYV
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BU of 9eyv by Molmil
Human PRMT5 in complex with AZ compound 12
Descriptor: (1~{S})-~{N}-[(4-fluorophenyl)methyl]-3-oxidanylidene-2-(1~{H}-pyrrolo[3,2-b]pyridin-2-ylmethyl)-1~{H}-isoindole-1-carboxamide, 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein WDR77, ...
Authors:Debreczeni, J.
Deposit date:2024-04-09
Release date:2024-08-14
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Discovery and In Vivo Efficacy of AZ-PRMT5i-1, a Novel PRMT5 Inhibitor with High MTA Cooperativity.
J.Med.Chem., 2024
9EYW
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BU of 9eyw by Molmil
Human PRMT5 in complex with AZ compound 21
Descriptor: (3~{S})-2-[(5-azanyl-1~{H}-pyrrolo[3,2-b]pyridin-2-yl)methyl]-6-fluoranyl-1'-[(4-fluorophenyl)methyl]spiro[isoindole-3,3'-pyrrolidine]-1,2'-dione, 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein WDR77, ...
Authors:Debreczeni, J.
Deposit date:2024-04-09
Release date:2024-08-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery and In Vivo Efficacy of AZ-PRMT5i-1, a Novel PRMT5 Inhibitor with High MTA Cooperativity.
J.Med.Chem., 2024
9EYX
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BU of 9eyx by Molmil
Human PRMT5 in complex with AZ compound 28
Descriptor: (3~{S})-2-[(5-azanyl-6-fluoranyl-1~{H}-pyrrolo[3,2-b]pyridin-2-yl)methyl]-6-fluoranyl-1'-[(4-fluorophenyl)methyl]spiro[isoindole-3,3'-pyrrolidine]-1,2'-dione, 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein WDR77, ...
Authors:Debreczeni, J.
Deposit date:2024-04-09
Release date:2024-08-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery and In Vivo Efficacy of AZ-PRMT5i-1, a Novel PRMT5 Inhibitor with High MTA Cooperativity.
J.Med.Chem., 2024
5T9C
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BU of 5t9c by Molmil
Crystal structure of B. subtilis 168 GlpQ in complex with glycerol-3-phosphate (1 hour soak)
Descriptor: CALCIUM ION, Glycerophosphoryl diester phosphodiesterase, PHOSPHATE ION, ...
Authors:Li, F.K.K, Strynadka, N.C.J.
Deposit date:2016-09-09
Release date:2016-11-02
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Identification of Two Phosphate Starvation-induced Wall Teichoic Acid Hydrolases Provides First Insights into the Degradative Pathway of a Key Bacterial Cell Wall Component.
J. Biol. Chem., 291, 2016
3ZKD
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BU of 3zkd by Molmil
CRYSTAL STRUCTURE OF THE ATPASE REGION OF Mycobacterium tuberculosis GyrB WITH AMPPNP
Descriptor: DNA GYRASE SUBUNIT B, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Agrawal, A, Roue, M, Spitzfaden, C, Petrella, S, Aubry, A, Volker, C, Mossakowska, D, Hann, M, Bax, B, Mayer, C.
Deposit date:2013-01-22
Release date:2013-09-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Mycobacterium Tuberculosis DNA Gyrase ATPase Domain Structures Suggest a Dissociative Mechanism that Explains How ATP Hydrolysis is Coupled to Domain Motion.
Biochem.J., 456, 2013
1YQ9
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BU of 1yq9 by Molmil
Structure of the unready oxidized form of [NiFe] hydrogenase
Descriptor: CARBONMONOXIDE-(DICYANO) IRON, FE3-S4 CLUSTER, GLYCEROL, ...
Authors:Volbeda, A, Martin, L, Cavazza, C, Matho, M, Faber, B.W, Roseboom, W, Albracht, S.P, Garcin, E, Rousset, M, Fontecilla-Camps, J.C.
Deposit date:2005-02-01
Release date:2005-04-19
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural differences between the ready and unready oxidized states of [NiFe] hydrogenases.
J.Biol.Inorg.Chem., 10, 2005
2HVM
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BU of 2hvm by Molmil
HEVAMINE A AT 1.8 ANGSTROM RESOLUTION
Descriptor: HEVAMINE
Authors:Terwisscha Van Scheltinga, A.C, Hennig, M, Dijkstra, B.W.
Deposit date:1996-07-02
Release date:1997-01-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The 1.8 A resolution structure of hevamine, a plant chitinase/lysozyme, and analysis of the conserved sequence and structure motifs of glycosyl hydrolase family 18.
J.Mol.Biol., 262, 1996
7XA3
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BU of 7xa3 by Molmil
Cryo-EM structure of the CCL2 bound CCR2-Gi complex
Descriptor: C-C motif chemokine 2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Shao, Z, Tan, Y, Shen, Q, Yao, B, Hou, L, Qin, J, Xu, P, Mao, C, Chen, L, Zhang, H, Shen, D, Zhang, C, Li, W, Du, X, Li, F, Chen, Z, Jiang, Y, Xu, H.E, Ying, S, Ma, H, Zhang, Y, Shen, H.
Deposit date:2022-03-17
Release date:2022-08-24
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Molecular insights into ligand recognition and activation of chemokine receptors CCR2 and CCR3.
Cell Discov, 8, 2022
3BXQ
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BU of 3bxq by Molmil
The structure of a mutant insulin uncouples receptor binding from protein allostery. An electrostatic block to the TR transition
Descriptor: ZINC ION, insulin A chain, insulin B chain
Authors:Wan, Z.L, Huang, K, Hu, S.Q, Whittaker, J, Weiss, M.A.
Deposit date:2008-01-14
Release date:2008-05-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The structure of a mutant insulin uncouples receptor binding from protein allostery. An electrostatic block to the TR transition.
J.Biol.Chem., 283, 2008
3JZI
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BU of 3jzi by Molmil
Crystal structure of biotin carboxylase from E. Coli in complex with benzimidazole series
Descriptor: 7-amino-2-[(2-chlorobenzyl)amino]-1-{[(1S,2S)-2-hydroxycycloheptyl]methyl}-1H-benzimidazole-5-carboxamide, Biotin carboxylase
Authors:Cheng, C, Shipps, G.W, Yang, Z, Sun, B, Kawahata, N, Soucy, K, Soriano, A, Orth, P, Xiao, L, Mann, P, Black, T.
Deposit date:2009-09-23
Release date:2009-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Discovery and optimization of antibacterial AccC inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009

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