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1ULA
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BU of 1ula by Molmil
APPLICATION OF CRYSTALLOGRAPHIC AND MODELING METHODS IN THE DESIGN OF PURINE NUCLEOSIDE PHOSPHORYLASE INHIBITORS
Descriptor: PURINE NUCLEOSIDE PHOSPHORYLASE, SULFATE ION
Authors:Ealick, S.E, Rule, S.A, Carter, D.C, Greenhough, T.J, Babu, Y.S, Cook, W.J, Habash, J, Helliwell, J.R, Stoeckler, J.D, Parksjunior, R.E, Chen, S.-F, Bugg, C.E.
Deposit date:1991-11-05
Release date:1993-01-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Application of crystallographic and modeling methods in the design of purine nucleoside phosphorylase inhibitors.
Proc.Natl.Acad.Sci.USA, 88, 1991
7PTH
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BU of 7pth by Molmil
C54S mutant of choline-sulfatase from E. meliloti CECT4857 bound to choline
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
Authors:Gavira, J.A, Martinez-Rodriguez, S.
Deposit date:2021-09-27
Release date:2022-08-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural insights into choline-O-sulfatase reveal the molecular determinants for ligand binding.
Acta Crystallogr D Struct Biol, 78, 2022
7PTJ
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BU of 7ptj by Molmil
C54S mutant of choline-sulfatase from E. meliloti CECT4857 bound to HEPES
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, Choline sulfatase, ...
Authors:Gavira, J.A, Martinez-Rodriguez, S.
Deposit date:2021-09-27
Release date:2022-08-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural insights into choline-O-sulfatase reveal the molecular determinants for ligand binding.
Acta Crystallogr D Struct Biol, 78, 2022
7PX1
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BU of 7px1 by Molmil
Conotoxin from Conus mucronatus
Descriptor: CADMIUM ION, Conus mucronatus, IODIDE ION
Authors:Mueller, E, Hackney, C.M, Ellgaard, L, Morth, J.P.
Deposit date:2021-10-07
Release date:2022-11-02
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:A previously unrecognized superfamily of macro-conotoxins includes an inhibitor of the sensory neuron calcium channel Cav2.3.
Plos Biol., 21, 2023
8CJM
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BU of 8cjm by Molmil
Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-07-047
Descriptor: 7-(cyclobutylmethyl)-3-ethyl-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione, FE (III) ION, Tryptophan 5-hydroxylase 1
Authors:Schuetz, A, Mallow, K, Nazare, M, Specker, E, Heinemann, U.
Deposit date:2023-02-13
Release date:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-Based Design of Xanthine-Imidazopyridines and -Imidazothiazoles as Highly Potent and In Vivo Efficacious Tryptophan Hydroxylase Inhibitors.
J.Med.Chem., 66, 2023
7XVG
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BU of 7xvg by Molmil
Cryo-EM structure of binary complex of plant NLR Sr35 and effector AvrSr35
Descriptor: AvrSr35, Sr35
Authors:Ouyang, S.Y, Zhao, Y.B, Li, Z.K, Liu, M.X.
Deposit date:2022-05-23
Release date:2022-09-28
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Pathogen effector AvrSr35 triggers Sr35 resistosome assembly via a direct recognition mechanism.
Sci Adv, 8, 2022
1FH1
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BU of 1fh1 by Molmil
BACKBONE FOLD OF NODF
Descriptor: NODULATION PROTEIN F
Authors:Fowler, C.A, Tian, F, Al-Hashimi, H.M, Prestegard, J.H.
Deposit date:2000-07-30
Release date:2001-01-17
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Rapid determination of protein folds using residual dipolar couplings.
J.Mol.Biol., 304, 2000
7Q1U
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BU of 7q1u by Molmil
Structure of Hedgehog acyltransferase (HHAT) in complex with megabody 177 bound to non-hydrolysable palmitoyl-CoA (Composite Map)
Descriptor: CHOLESTEROL, MAGNESIUM ION, Megabody 177, ...
Authors:Coupland, C, Carrique, L, Siebold, C.
Deposit date:2021-10-21
Release date:2022-06-08
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structure, mechanism, and inhibition of Hedgehog acyltransferase.
Mol.Cell, 81, 2021
8BBX
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BU of 8bbx by Molmil
Structure of prolyl endoprotease from Aspergillus niger CBS 109712 in space group C222(1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Endoprotease endo-Pro, TETRAETHYLENE GLYCOL, ...
Authors:Pijning, T, Vujicic-Zagar, A, Van der Laan, J.M, De Jong, R.M, Dijkstra, B.W.
Deposit date:2022-10-14
Release date:2023-12-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural and time-resolved mechanistic investigations of protein hydrolysis by the acidic proline-specific endoprotease from Aspergillus niger.
Protein Sci., 33, 2024
8QMF
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BU of 8qmf by Molmil
Transketolase from Vibrio vulnificus in complex with thiamin pyrophosphate
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, NICKEL (II) ION, ...
Authors:Ballut, L, Georges, R.N, Octobre, G, Charmantray, F, Doumeche, B.
Deposit date:2023-09-22
Release date:2024-02-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural determination and kinetic analysis of the transketolase from Vibrio vulnificus reveal unexpected cooperative behavior.
Protein Sci., 33, 2024
8BW8
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BU of 8bw8 by Molmil
Crystal structure of the dCNK-SAM-CRIC-PDZ/dHYP-SAM complex
Descriptor: Connector enhancer of KSR protein CNK, GLYCEROL, Protein aveugle
Authors:Maisonneuve, P, Kurinov, I, Sicheri, F.
Deposit date:2022-12-06
Release date:2024-02-21
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The CNK-HYP scaffolding complex promotes RAF activation by enhancing KSR-MEK interaction.
Nat.Struct.Mol.Biol., 31, 2024
8EKO
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BU of 8eko by Molmil
Sperm whale myoglobin mutant L29H F33W F43H (F33W CuBMb)
Descriptor: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Ledray, A.P, Dwaraknath, S, Lu, Y.
Deposit date:2022-09-21
Release date:2022-10-26
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Tryptophan Can Promote Oxygen Reduction to Water in a Biosynthetic Model of Heme Copper Oxidases.
Biochemistry, 62, 2023
6QU1
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BU of 6qu1 by Molmil
Crystal structure of the KAP1 RBCC domain in complex with the SMARCAD1 CUE1 domain at 3.7 angstrom resolution.
Descriptor: SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily A containing DEAD/H box 1, Transcription intermediary factor 1-beta,Transcription intermediary factor 1-beta, ZINC ION
Authors:Newman, J.A, Aitkenhead, H, Gavard, A, Lim, M, Williams, H.L, Svejstrup, J.Q, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2019-02-26
Release date:2019-07-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:A Ubiquitin-Binding Domain that Binds a Structural Fold Distinct from that of Ubiquitin.
Structure, 2019
7RZP
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BU of 7rzp by Molmil
Crystal structure of putative NAD(P)H-flavin oxidoreductase from Haemophilus influenzae R2866
Descriptor: 1,2-ETHANEDIOL, ACETIC ACID, Dihydropteridine reductase, ...
Authors:Maltseva, N, Kim, Y, Endres, M, Crofts, T, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-08-27
Release date:2021-09-29
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Functional and Structural Characterization of Diverse NfsB Chloramphenicol Reductase Enzymes from Human Pathogens.
Microbiol Spectr, 10, 2022
7RZL
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BU of 7rzl by Molmil
Crystal structure of putative NAD(P)H-flavin oxidoreductase from Haemophilus influenzae R2846 in complex with 4-nitrophenol
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN MONONUCLEOTIDE, ...
Authors:Maltseva, N, Kim, Y, Endres, M, Crofts, T, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-08-27
Release date:2021-09-29
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Functional and Structural Characterization of Diverse NfsB Chloramphenicol Reductase Enzymes from Human Pathogens.
Microbiol Spectr, 10, 2022
8ESC
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BU of 8esc by Molmil
Structure of the Yeast NuA4 Histone Acetyltransferase Complex
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Actin, Actin-related protein 4, ...
Authors:Patel, A.B, Zukin, S.A, Nogales, E.
Deposit date:2022-10-13
Release date:2022-11-16
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structure and flexibility of the yeast NuA4 histone acetyltransferase complex.
Elife, 11, 2022
7S1A
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BU of 7s1a by Molmil
Crystal structure of putative NAD(P)H-flavin oxidoreductase from Haemophilus influenzae Rd KW20
Descriptor: ACETIC ACID, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ...
Authors:Maltseva, N, Kim, Y, Endres, M, Crofts, T, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-09-01
Release date:2021-10-06
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Functional and Structural Characterization of Diverse NfsB Chloramphenicol Reductase Enzymes from Human Pathogens.
Microbiol Spectr, 10, 2022
8HIJ
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BU of 8hij by Molmil
The 5-MTHF-bound BRIL-SLC19A1/Fab/Nb ternary complex
Descriptor: Anti-BRIL Fab heavy chain, Anti-BRIL Fab light chain, Anti-Fab nanobody, ...
Authors:Zhang, Z, Dang, Y.
Deposit date:2022-11-20
Release date:2022-12-21
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.54 Å)
Cite:Molecular mechanism of substrate recognition by folate transporter SLC19A1.
Cell Discov, 8, 2022
8B2U
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BU of 8b2u by Molmil
Crystal structure of SUDV VP40 in complex with salicylic acid
Descriptor: 2-HYDROXYBENZOIC ACID, Matrix protein VP40
Authors:Werner, A.-D, Krapoth, N, Norris, M.J, Heine, A, Klebe, G, Ollmann Saphire, E, Becker, S.
Deposit date:2022-09-14
Release date:2023-09-27
Last modified:2024-08-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Development of a Crystallographic Screening to Identify Sudan Virus VP40 Ligands.
Acs Omega, 9, 2024
8CUS
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BU of 8cus by Molmil
Accurate computational design of genetically encoded 3D protein crystals
Descriptor: I432-1(NaCl) Chain A, I432-1(NaCl) Chain B
Authors:Bera, A.K, Li, Z, Baker, D.
Deposit date:2022-05-17
Release date:2023-11-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.98 Å)
Cite:Accurate computational design of three-dimensional protein crystals.
Nat Mater, 22, 2023
8CWS
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BU of 8cws by Molmil
Accurate computational design of genetically encoded 3D protein crystals
Descriptor: F4132-2 Chain A, F4132-2 Chain B
Authors:Bera, A.K, Li, Z, Baker, D.
Deposit date:2022-05-19
Release date:2023-11-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (4.4 Å)
Cite:Accurate computational design of three-dimensional protein crystals.
Nat Mater, 22, 2023
8CUT
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BU of 8cut by Molmil
Accurate computational design of genetically encoded 3D protein crystals
Descriptor: I432-1(Imd) Chain A, I432-1(Imd) Chain B
Authors:Bera, A.K, Li, Z, Baker, D.
Deposit date:2022-05-17
Release date:2023-11-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (4 Å)
Cite:Accurate computational design of three-dimensional protein crystals.
Nat Mater, 22, 2023
8CUX
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BU of 8cux by Molmil
Accurate computational design of genetically encoded 3D protein crystals
Descriptor: R3-1 Chain B
Authors:Bera, A.K, Natterman, U, Baker, D.
Deposit date:2022-05-17
Release date:2023-11-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Accurate computational design of three-dimensional protein crystals.
Nat Mater, 22, 2023
8CWZ
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BU of 8cwz by Molmil
Accurate computational design of genetically encoded 3D protein crystals
Descriptor: I432-1-X3 Chain A, I432-1-X3 Chain B
Authors:Bera, A.K, Li, Z, Baker, D.
Deposit date:2022-05-19
Release date:2023-11-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (5.53 Å)
Cite:Accurate computational design of three-dimensional protein crystals.
Nat Mater, 22, 2023
8D3G
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BU of 8d3g by Molmil
Crystal structure of human Apoptosis-Inducing Factor (AIF) W196A mutant complexed with 6-chloroquinolin-4-amine
Descriptor: 1,2-ETHANEDIOL, 6-chloroquinolin-4-amine, Apoptosis-inducing factor 1, ...
Authors:Brosey, C.A, Tainer, J.A.
Deposit date:2022-06-01
Release date:2023-11-08
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Chemical screening by time-resolved X-ray scattering to discover allosteric probes.
Nat.Chem.Biol., 2024

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