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7QBN
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Structure of cathepsin K in complex with the azadipeptide nitrile inhibitor Gu1303
Descriptor: (phenylmethyl) ~{N}-[(2~{S})-1-[[aminomethyl(methyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate, ACETATE ION, CHLORIDE ION, ...
Authors:Benysek, J, Busa, M, Mares, M.
Deposit date:2021-11-19
Release date:2022-01-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Highly potent inhibitors of cathepsin K with a differently positioned cyanohydrazide warhead: structural analysis of binding mode to mature and zymogen-like enzymes.
J Enzyme Inhib Med Chem, 37, 2022
1DRV
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BU of 1drv by Molmil
ESCHERICHIA COLI DHPR/ACNADH COMPLEX
Descriptor: 3-ACETYLPYRIDINE ADENINE DINUCLEOTIDE, DIHYDRODIPICOLINATE REDUCTASE
Authors:Reddy, S.G, Scapin, G, Blanchard, J.S.
Deposit date:1996-06-28
Release date:1997-01-27
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Interaction of pyridine nucleotide substrates with Escherichia coli dihydrodipicolinate reductase: thermodynamic and structural analysis of binary complexes.
Biochemistry, 35, 1996
4BNW
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BU of 4bnw by Molmil
Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with an unknown ligand at 1. 6A resolution
Descriptor: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG, DI(HYDROXYETHYL)ETHER, TETRAETHYLENE GLYCOL, ...
Authors:Cukier, C.D, Schnell, R, Lindqvist, Y, Schneider, G.
Deposit date:2013-05-17
Release date:2013-09-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa
Acs Chem.Biol., 8, 2013
7QBL
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BU of 7qbl by Molmil
Structure of cathepsin K in complex with the 3-cyano-3-aza-beta-amino acid inhibitor Gu2602
Descriptor: Cathepsin K, ~{tert}-butyl ~{N}-[iminomethyl-[2-[methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]amino]carbamate
Authors:Benysek, J, Busa, M, Mares, M.
Deposit date:2021-11-19
Release date:2022-01-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Highly potent inhibitors of cathepsin K with a differently positioned cyanohydrazide warhead: structural analysis of binding mode to mature and zymogen-like enzymes.
J Enzyme Inhib Med Chem, 37, 2022
8T1Y
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BU of 8t1y by Molmil
Crystal Structure of Porphyromonas gingivalis Sialidase (PG_0352) Bound to Neu5Ac2en (DANA)
Descriptor: 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, DI(HYDROXYETHYL)ETHER, Sialidase, ...
Authors:Clark, N.D, Malkowski, M.G.
Deposit date:2023-06-05
Release date:2023-10-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Functional and structural analyses reveal that a dual domain sialidase protects bacteria from complement killing through desialylation of complement factors.
Plos Pathog., 19, 2023
8T1Z
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BU of 8t1z by Molmil
Crystal Structure of Porphyromonas gingivalis Sialidase (PG_0352) Bound to Neu5Ac (NANA)
Descriptor: DI(HYDROXYETHYL)ETHER, N-acetyl-alpha-neuraminic acid, Sialidase, ...
Authors:Clark, N.D, Malkowski, M.G.
Deposit date:2023-06-05
Release date:2023-10-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Functional and structural analyses reveal that a dual domain sialidase protects bacteria from complement killing through desialylation of complement factors.
Plos Pathog., 19, 2023
8T24
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BU of 8t24 by Molmil
Crystal Structure of Porphyromonas gingivalis Sialidase (PG_0352)- Fructose bound in CBM
Descriptor: CITRATE ANION, D-fructose, DI(HYDROXYETHYL)ETHER, ...
Authors:Clark, N.D, Malkowski, M.G.
Deposit date:2023-06-05
Release date:2023-10-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Functional and structural analyses reveal that a dual domain sialidase protects bacteria from complement killing through desialylation of complement factors.
Plos Pathog., 19, 2023
8T9R
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BU of 8t9r by Molmil
T4 highly immunogenic outer capsid protein C-terminal domain bound to a vertex-proximal gp23* capsomer of the prolate capsid in two preferred orientations.
Descriptor: Highly immunogenic outer capsid protein, Mature major capsid protein
Authors:Fokine, A, Rao, V.B.
Deposit date:2023-06-24
Release date:2023-07-19
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structure and Function of Hoc-A Novel Environment Sensing Device Encoded by T4 and Other Bacteriophages.
Viruses, 15, 2023
8T1X
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BU of 8t1x by Molmil
T4 highly immunogenic outer capsid protein C-terminal domain bound to the vertex-proximal gp23* capsomer of the isometric head in two preferred orientations
Descriptor: Highly immunogenic outer capsid protein, Mature major capsid protein gp23*
Authors:Fokine, A, Rao, V.B.
Deposit date:2023-06-04
Release date:2023-07-19
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure and Function of Hoc-A Novel Environment Sensing Device Encoded by T4 and Other Bacteriophages.
Viruses, 15, 2023
6EYD
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BU of 6eyd by Molmil
Structure of Mycobacterium smegmatis RNA polymerase Sigma-A holoenzyme
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Kouba, T, Barvik, I, Krasny, L.
Deposit date:2017-11-11
Release date:2018-12-12
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (4.22 Å)
Cite:The Core and Holoenzyme Forms of RNA Polymerase fromMycobacterium smegmatis.
J. Bacteriol., 201, 2019
1EQU
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BU of 1equ by Molmil
TYPE 1 17-BETA HYDROXYSTEROID DEHYDROGENASE EQUILIN COMPLEXED WITH NADP+
Descriptor: EQUILIN, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROTEIN (ESTRADIOL 17 BETA-DEHYDROGENASE 1)
Authors:Sawicki, M.W, Erman, M, Puranen, T, Vihko, P, Ghosh, D.
Deposit date:1998-12-02
Release date:1999-12-02
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of the ternary complex of human 17beta-hydroxysteroid dehydrogenase type 1 with 3-hydroxyestra-1,3,5,7-tetraen-17-one (equilin) and NADP+.
Proc.Natl.Acad.Sci.USA, 96, 1999
4FPS
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BU of 4fps by Molmil
tRNA-Guanine Transglycosylase in complex with adamantyl-substituted lin-benzoguanine ligand
Descriptor: 6-amino-2-(methylamino)-4-(2-{[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-ylmethyl]amino}ethyl)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ...
Authors:Immekus, F, Klebe, G.
Deposit date:2012-06-22
Release date:2013-07-24
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Studies on TGT homodimer interface
To be Published
4FR6
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BU of 4fr6 by Molmil
tRNA-Guanine Transglycosylase cocrystallized with pyridyl-alkine-substituted lin-benzoguanine ligand
Descriptor: 6-amino-2-(methylamino)-4-[2-({[trans-4-(pyridin-3-ylethynyl)cyclohexyl]methyl}amino)ethyl]-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, Queuine tRNA-ribosyltransferase, ZINC ION
Authors:Immekus, F, Klebe, G.
Deposit date:2012-06-26
Release date:2013-07-24
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Studies on TGT homodimer interface
To be Published
4UIG
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BU of 4uig by Molmil
Structure of the copper sensitive operon repressor from Streptomyces lividans at pH6
Descriptor: COPPER SENSITIVE OPERON REPRESSOR, SULFATE ION
Authors:Porto, T, Hough, M.A, Worrall, J.A.R.
Deposit date:2015-03-30
Release date:2015-09-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Insights Into Conformational Switching in the Copper Metalloregulator Csor from Streptomyces Lividans
Acta Crystallogr.,Sect.D, 71, 2015
7Z1U
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BU of 7z1u by Molmil
Biochemical implications of the substitution of a unique cysteine residue in sugar beet phytoglobin BvPgb 1.2
Descriptor: Non-symbiotic hemoglobin class 1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Nyblom, M, Christensen, S, Leiva Eriksson, N, Bulow, L.
Deposit date:2022-02-25
Release date:2022-09-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Oxidative Implications of Substituting a Conserved Cysteine Residue in Sugar Beet Phytoglobin BvPgb 1.2.
Antioxidants, 11, 2022
6G3V
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BU of 6g3v by Molmil
Crystal structure of human carbonic anhydrase I in complex with the inhibitor famotidine
Descriptor: Carbonic anhydrase 1, GLYCEROL, ZINC ION, ...
Authors:Ferraroni, M, Supuran, C.T, Angeli, A.
Deposit date:2018-03-26
Release date:2018-11-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Famotidine, an Antiulcer Agent, Strongly InhibitsHelicobacter pyloriand Human Carbonic Anhydrases.
ACS Med Chem Lett, 9, 2018
1BJ3
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BU of 1bj3 by Molmil
CRYSTAL STRUCTURE OF COAGULATION FACTOR IX-BINDING PROTEIN (IX-BP) FROM VENOM OF HABU SNAKE WITH A HETERODIMER OF C-TYPE LECTIN DOMAINS
Descriptor: CALCIUM ION, PROTEIN (COAGULATION FACTOR IX-BINDING PROTEIN A), PROTEIN (COAGULATION FACTOR IX-BINDING PROTEIN B)
Authors:Mizuno, H, Fujimoto, Z, Koizumi, M, Kano, H, Atoda, H, Morita, T.
Deposit date:1998-07-02
Release date:1999-08-16
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of coagulation factor IX-binding protein from habu snake venom at 2.6 A: implication of central loop swapping based on deletion in the linker region.
J.Mol.Biol., 289, 1999
6GDT
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BU of 6gdt by Molmil
Crystal structure of exo-glucosidase/glucosaminidase VC0615 from Vibrio Cholerae
Descriptor: 1,2-ETHANEDIOL, Endoglucanase-related protein
Authors:Wu, L, Davies, G.J.
Deposit date:2018-04-24
Release date:2018-08-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.17 Å)
Cite:Structure of the GH9 glucosidase/glucosaminidase from Vibrio cholerae.
Acta Crystallogr F Struct Biol Commun, 74, 2018
1IIU
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BU of 1iiu by Molmil
Chicken plasma retinol-binding protein (RBP)
Descriptor: CADMIUM ION, RETINOL, plasma retinol-binding protein
Authors:Zanotti, G, Calderone, V, Berni, R.
Deposit date:2001-04-24
Release date:2002-01-16
Last modified:2022-12-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of Chicken plasma retinol-binding protein
BIOCHIM.BIOPHYS.ACTA, 1550, 2001
1EUM
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BU of 1eum by Molmil
CRYSTAL STRUCTURE OF THE E.COLI FERRITIN ECFTNA
Descriptor: FERRITIN 1
Authors:Stillman, T.J, Hempstead, P.D, Artymiuk, P.J, Andrews, S.C, Hudson, A.J, Treffry, A, Guest, J.R, Harrison, P.M.
Deposit date:2000-04-17
Release date:2001-03-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The high-resolution X-ray crystallographic structure of the ferritin (EcFtnA) of Escherichia coli; comparison with human H ferritin (HuHF) and the structures of the Fe(3+) and Zn(2+) derivatives.
J.Mol.Biol., 307, 2001
6G7G
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BU of 6g7g by Molmil
Structure of SPH (Self-Incompatibility Protein Homologue) proteins, a widespread family of small, highly stable, secreted proteins from plants
Descriptor: S-protein homolog 15
Authors:Rajasekar, K.V, Coulthard, R.J, Ride, J.P, Ji, S, Winn, P.J, Wheeler, M.P, Hyde, E.I, Smith, L.J.
Deposit date:2018-04-06
Release date:2019-03-06
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure of SPH (self-incompatibility protein homologue) proteins: a widespread family of small, highly stable, secreted proteins.
Biochem.J., 476, 2019
7DTY
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BU of 7dty by Molmil
Structural basis of ligand selectivity conferred by the human glucose-dependent insulinotropic polypeptide receptor
Descriptor: CHOLESTEROL, Gastric inhibitory polypeptide, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Zhao, F.H, Zhang, C, Zhou, Q.T, Hang, K.N, Zou, X.Y, Chen, Y, Wu, F, Rao, Q.D, Dai, A.T, Yin, W.C, Shen, D.D, Zhang, Y, Xia, T, Stevens, R.C, Xu, H.E, Yang, D.H, Zhao, L.H, Wang, M.W.
Deposit date:2021-01-06
Release date:2021-08-04
Last modified:2021-08-11
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:Structural insights into hormone recognition by the human glucose-dependent insulinotropic polypeptide receptor.
Elife, 10, 2021
1FEL
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BU of 1fel by Molmil
CRYSTALLOGRAPHIC STUDIES ON COMPLEXES BETWEEN RETINOIDS AND PLASMA RETINOL-BINDING PROTEIN
Descriptor: N-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDE, RETINOL BINDING PROTEIN
Authors:Zanotti, G, Marcello, M, Malpeli, G, Sartori, G, Berni, R.
Deposit date:1994-08-29
Release date:1994-11-01
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystallographic studies on complexes between retinoids and plasma retinol-binding protein.
J.Biol.Chem., 269, 1994
2ZKF
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BU of 2zkf by Molmil
Crystal structure of the SRA domain of mouse Np95 in complex with hemi-methylated CpG DNA
Descriptor: DNA (5'-D(*DCP*DTP*DAP*DTP*DCP*(5CM)P*DGP*DGP*DTP*DGP*DA)-3'), DNA (5'-D(P*DCP*DAP*DCP*DCP*DGP*DGP*DAP*DTP*DAP*DGP*DA)-3'), E3 ubiquitin-protein ligase UHRF1
Authors:Arita, K, Ariyoshi, M, Tochio, H, Nakamura, Y, Shirakawa, M.
Deposit date:2008-03-19
Release date:2008-09-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Recognition of hemi-methylated DNA by the SRA protein UHRF1 by a base-flipping mechanism
Nature, 455, 2008
2NPA
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BU of 2npa by Molmil
the crystal structure of the human PPARaplpha ligand binding domain in complex with a a-hydroxyimino phenylpropanoic acid
Descriptor: (2R,3E)-2-{4-[(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)METHOXY]BENZYL}-3-(PROPOXYIMINO)BUTANOIC ACID, Peroxisome proliferator-activated receptor alpha, SRC- peptide from Nuclear receptor coactivator 1
Authors:Kim, K.H, Chung, H.K, Han, H.O, Kim, S.H, Koh, J.S, Kim, G.T.
Deposit date:2006-10-26
Release date:2007-10-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design and synthesis of oxime ethers of alpha-acyl-beta-phenylpropanoic acids as PPAR dual agonists
Bioorg.Med.Chem.Lett., 17, 2007

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數據於2024-09-11公開中

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