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7KNX
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BU of 7knx by Molmil
Crystal structure of SND1 in complex with C-26-A6
Descriptor: 5-chloro-2-methoxy-N-(2-methyl[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzene-1-sulfonamide, GLYCEROL, Staphylococcal nuclease domain-containing protein 1, ...
Authors:Kang, Y.
Deposit date:2020-11-06
Release date:2021-12-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Small-molecule inhibitors that disrupt the MTDH-SND1 complex suppress breast cancer progression and metastasis.
Nat Cancer, 3, 2022
2Q4Q
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BU of 2q4q by Molmil
Ensemble refinement of the protein crystal structure of gene product from Homo sapiens Hs.95870
Descriptor: UPF0366 protein C11orf67
Authors:Levin, E.J, Kondrashov, D.A, Wesenberg, G.E, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2007-05-31
Release date:2007-06-19
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Ensemble refinement of protein crystal structures: validation and application.
Structure, 15, 2007
7KU6
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BU of 7ku6 by Molmil
Dihydrodipicolinate synthase (DHDPS) from C.jejuni, H56N mutant with pyruvate bound in the active site
Descriptor: 1,2-ETHANEDIOL, 4-hydroxy-tetrahydrodipicolinate synthase, MAGNESIUM ION, ...
Authors:Saran, S, Sanders, D.A.R.
Deposit date:2020-11-24
Release date:2021-12-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:ALLOSTERIC SITE RESIDUE 'H56' CAPS THE INHIBITOR AT THE TIGHT DIMER INTERFACE FOR TRANSMITTING THE ALLOSTERIC INHIBITION SIGNALS IN Cj.DHDPS
To Be Published
7KST
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BU of 7kst by Molmil
DNA Polymerase Mu, dGTP:Ct Reaction State Ternary Complex, 10 mM Mn2+ (2min)
Descriptor: 1,2-ETHANEDIOL, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ...
Authors:Jamsen, J.A, Wilson, S.H.
Deposit date:2020-11-24
Release date:2021-12-01
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.599 Å)
Cite:Watching a double strand break repair polymerase insert a pro-mutagenic oxidized nucleotide.
Nat Commun, 12, 2021
7KTO
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BU of 7kto by Molmil
Dihydrodipicolinate synthase (DHDPS) from C.jejuni, H56A mutant with pyruvate bound in the active site and R,R-bislysine bound at the allosteric site
Descriptor: (2R,5R)-2,5-diamino-2,5-bis(4-aminobutyl)hexanedioic acid, 1,2-ETHANEDIOL, 4-hydroxy-tetrahydrodipicolinate synthase, ...
Authors:Saran, S, Sanders, D.A.R.
Deposit date:2020-11-24
Release date:2021-12-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:ALLOSTERIC SITE RESIDUE 'H56' CAPS THE INHIBITOR AT THE TIGHT DIMER INTERFACE FOR TRANSMITTING THE ALLOSTERIC INHIBITION SIGNALS IN Cj.DHDPS
To Be Published
2PNM
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BU of 2pnm by Molmil
Crystal Structure of VP4 protease from infectious pancreatic necrosis virus (IPNV) in space group P6122
Descriptor: Protease VP4
Authors:Paetzel, M, Lee, J, Feldman, A.R, Delmas, B.
Deposit date:2007-04-24
Release date:2007-06-05
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the VP4 protease from infectious pancreatic necrosis virus reveals the acyl-enzyme complex for an intermolecular self-cleavage reaction.
J.Biol.Chem., 282, 2007
7KWF
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BU of 7kwf by Molmil
Dihydrodipicolinate synthase (DHDPS) from C.jejuni, H56N mutant with pyruvate bound in the active site and R,R-bislysine bound at the allosteric site
Descriptor: (2R,5R)-2,5-diamino-2,5-bis(4-aminobutyl)hexanedioic acid, 4-hydroxy-tetrahydrodipicolinate synthase, ACETATE ION, ...
Authors:Saran, S, Sanders, D.A.R.
Deposit date:2020-11-30
Release date:2021-12-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:ALLOSTERIC SITE RESIDUE 'H56' CAPS THE INHIBITOR AT THE TIGHT DIMER INTERFACE FOR TRANSMITTING THE ALLOSTERIC INHIBITION SIGNALS IN Cj.DHDPS
To Be Published
2PNW
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BU of 2pnw by Molmil
Crystal structure of membrane-bound lytic murein transglycosylase from Agrobacterium tumefaciens
Descriptor: Membrane-bound lytic murein transglycosylase, SULFATE ION
Authors:Bonanno, J.B, Dickey, M, Bain, K.T, Iizuka, M, Ozyurt, S, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-04-25
Release date:2007-05-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of membrane-bound lytic murein transglycosylase from Agrobacterium tumefaciens.
To be Published
7L71
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BU of 7l71 by Molmil
Crystal Structure of the PDZ Domain of the Serine Peptidase HtrA from Streptococcus agalactiae.
Descriptor: CHLORIDE ION, Serine protease
Authors:Minasov, G, Shuvalova, L, Kiryukhina, O, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-12-24
Release date:2021-12-01
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Crystal Structure of the PDZ Domain of the Serine Peptidase HtrA from Streptococcus agalactiae.
To Be Published
7KWP
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BU of 7kwp by Molmil
Dihydrodipicolinate synthase (DHDPS) from C.jejuni with pyruvate bound in the active site and L-lysine bound at the allosteric site in C2221 space group
Descriptor: 1,2-ETHANEDIOL, 4-hydroxy-tetrahydrodipicolinate synthase, DI(HYDROXYETHYL)ETHER, ...
Authors:Saran, S, Sanders, D.A.R.
Deposit date:2020-12-01
Release date:2021-12-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:B-FACTOR ANALYSIS SUGGEST THAT L-LYSINE AND R, R-BISLYSINE ALLOSTERICALLY INHIBIT Cj.DHDPS ENZYME BY DECREASING PROTEIN DYNAMICS.
To Be Published
2PO4
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BU of 2po4 by Molmil
X-ray crystal structure of polymerase domain of the bacteriophage N4 virion RNA polymerase
Descriptor: Virion RNA polymerase
Authors:Murakami, K.S, Davydova, E.K, Rothman-Denes, L.B.
Deposit date:2007-04-25
Release date:2008-04-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray crystal structure of polymerase domain of the bacteriophage N4 virion RNA polymerase
Proc.Natl.Acad.Sci.USA, 15, 2008
6PA9
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BU of 6pa9 by Molmil
E. coli L-asparaginase II mutant (T12V) in complex with L-Asn at pH 7.0
Descriptor: ASPARAGINE, GLYCEROL, L-asparaginase 2
Authors:Lubkowski, J, Wlodawer, A.
Deposit date:2019-06-11
Release date:2019-09-04
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Geometric considerations support the double-displacement catalytic mechanism of l-asparaginase.
Protein Sci., 28, 2019
7KWK
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BU of 7kwk by Molmil
DNA-DB1879 complex: The DNA sequence 5'-CGCGAATTCGCG-3' presents a binding site for the heterocyclic small molecule (DB1879).
Descriptor: 2-[5-(4-carbamimidoylphenyl)thiophen-2-yl]-1H-indole-6-carboximidamide, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION
Authors:Ogbonna, E, Fang, Z, Wilson, D.W.
Deposit date:2020-12-01
Release date:2021-12-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Drug design and DNA structural research inspired by the Neidle laboratory: DNA minor groove binding and transcription factor inhibition by thiophene diamidines.
Bioorg.Med.Chem., 68, 2022
8GD3
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BU of 8gd3 by Molmil
Crystal Structure of HIV-1 LM/HT Clade A/E CRF01 GP120 Core in Complex with DL-I-101
Descriptor: (3S,5R)-N-(4-chloro-3-fluorophenyl)-1-(4-glycylpiperazine-1-carbonyl)-5-(hydroxymethyl)piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Tolbert, W.D, Nguyen, D.N, Pazgier, M.
Deposit date:2023-03-03
Release date:2023-06-07
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Piperidine CD4-Mimetic Compounds Expose Vulnerable Env Epitopes Sensitizing HIV-1-Infected Cells to ADCC.
Viruses, 15, 2023
7KWN
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BU of 7kwn by Molmil
Dihydrodipicolinate synthase from C. jejuni with pyruvate bound to the active site in C2221 space group
Descriptor: 1,2-ETHANEDIOL, 4-hydroxy-tetrahydrodipicolinate synthase, ACETATE ION, ...
Authors:Saran, S, Sanders, D.A.R.
Deposit date:2020-12-01
Release date:2021-12-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:B-FACTOR ANALYSIS SUGGEST THAT L-LYSINE AND R, R-BISLYSINE ALLOSTERICALLY INHIBIT Cj.DHDPS ENZYME BY DECREASING PROTEIN DYNAMICS.
To Be Published
7KX1
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BU of 7kx1 by Molmil
Dihydrodipicolinate synthase (DHDPS) from C.jejuni, Y110F mutant with pyruvate bound in the active in C2221 space group
Descriptor: 1,2-ETHANEDIOL, 4-hydroxy-tetrahydrodipicolinate synthase, ACETATE ION, ...
Authors:Saran, S, Sanders, D.A.R.
Deposit date:2020-12-02
Release date:2021-12-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:B-FACTOR ANALYSIS SUGGEST THAT L-LYSINE AND R, R-BISLYSINE ALLOSTERICALLY INHIBIT Cj.DHDPS ENZYME BY DECREASING PROTEIN DYNAMICS
To Be Published
7KT9
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BU of 7kt9 by Molmil
DNA Polymerase Mu, 8-oxodGTP:At Product State Ternary Complex, 50 mM Mg2+ (960min)
Descriptor: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Jamsen, J.A, Wilson, S.H.
Deposit date:2020-11-24
Release date:2021-12-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.482 Å)
Cite:Watching a double strand break repair polymerase insert a pro-mutagenic oxidized nucleotide.
Nat Commun, 12, 2021
8GOB
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BU of 8gob by Molmil
Crystal Structure of Glycerol Dehydrogenase in the presence of NAD+
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Glycerol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Park, T, Hoang, H.N, Kang, J.Y, Park, J, Mun, S.A, Jin, M, Yang, J, Jung, C.-H, Eom, S.H.
Deposit date:2022-08-24
Release date:2023-06-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and functional insights into the flexible beta-hairpin of glycerol dehydrogenase.
Febs J., 290, 2023
2Q5T
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BU of 2q5t by Molmil
Full-length Cholix toxin from Vibrio Cholerae
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Cholix toxin
Authors:Jorgensen, R, Fieldhouse, R.J, Merrill, A.R.
Deposit date:2007-06-01
Release date:2008-02-12
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Cholix Toxin, a Novel ADP-ribosylating Factor from Vibrio cholerae.
J.Biol.Chem., 283, 2008
2PQK
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BU of 2pqk by Molmil
X-ray crystal structure of human Mcl-1 in complex with Bim BH3
Descriptor: Bim BH3 peptide, Induced myeloid leukemia cell differentiation protein Mcl-1, SODIUM ION, ...
Authors:Bare, E, Grant, R.A, Keating, A.E.
Deposit date:2007-05-02
Release date:2007-06-19
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mcl-1-Bim complexes accommodate surprising point mutations via minor structural changes.
Protein Sci., 19, 2010
7LBU
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BU of 7lbu by Molmil
Crystal structure of the Propionibacterium acnes surface sialidase
Descriptor: ACETATE ION, Exo-alpha-sialidase, PHOSPHATE ION
Authors:Yu, A.C.Y, Volkers, G, Strynadka, N.C.J.
Deposit date:2021-01-08
Release date:2021-12-08
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Crystal structure of the Propionibacterium acnes surface sialidase, a drug target for P. acnes-associated diseases.
Glycobiology, 32, 2022
7KXH
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BU of 7kxh by Molmil
Dihydrodipicolinate synthase (DHDPS) from C.jejuni with pyruvate bound in the active site and R,R-bislysine bound at the allosteric site in C2221 space group
Descriptor: (2R,5R)-2,5-diamino-2,5-bis(4-aminobutyl)hexanedioic acid, 1,2-ETHANEDIOL, 4-hydroxy-tetrahydrodipicolinate synthase, ...
Authors:Saran, S, Sanders, D.A.R.
Deposit date:2020-12-03
Release date:2021-12-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:B-FACTOR ANALYSIS SUGGEST THAT L-LYSINE AND R, R-BISLYSINE ALLOSTERICALLY INHIBIT Cj.DHDPS ENZYME BY DECREASING PROTEIN DYNAMICS.
To Be Published
2PQT
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BU of 2pqt by Molmil
Human N-acetyltransferase 1
Descriptor: Arylamine N-acetyltransferase 1, CHLORIDE ION, UNKNOWN ATOM OR ION
Authors:Tempel, W, Wu, H, Dombrovski, L, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Grant, D.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
Deposit date:2007-05-02
Release date:2007-05-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structural Basis of Substrate-binding Specificity of Human Arylamine N-Acetyltransferases.
J.Biol.Chem., 282, 2007
7KXG
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BU of 7kxg by Molmil
Dihydrodipicolinate synthase (DHDPS) from C.jejuni with pyruvate bound in the active site and L-histidine bound at the allosteric site
Descriptor: 1,2-ETHANEDIOL, 4-hydroxy-tetrahydrodipicolinate synthase, ACETATE ION, ...
Authors:Saran, S, Sanders, D.A.R.
Deposit date:2020-12-03
Release date:2021-12-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Reversing the roles of a crucial hydrogen-bonding pair: a lysine-insensitive mutant of Campylobacter jejuni dihydrodipicolinate synthase, H59K, binds histidine in its allosteric site
To Be Published
2Q6A
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BU of 2q6a by Molmil
Crystal Structure of Nak channel D66E mutant
Descriptor: CALCIUM ION, Potassium channel protein, SODIUM ION
Authors:Alam, A, Shi, N, Jiang, Y.
Deposit date:2007-06-04
Release date:2007-10-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural insight into Ca2+ specificity in tetrameric cation channels.
Proc.Natl.Acad.Sci.Usa, 104, 2007

243083

数据于2025-10-15公开中

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