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6CL1
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Caspase-7 in complex with Ac-DW3-KE
Descriptor: ACE-1MH-ASP-B3L-PHE-1U8, Caspase-7 subunit p11, Caspase-7 subunit p20
Authors:Solania, A.T, Gonzalez-Paez, G.E, Wolan, D.W.
Deposit date:2018-03-01
Release date:2019-03-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.651 Å)
Cite:Selective and Rapid Cell-Permeable Inhibitor of Human Caspase-3.
Acs Chem.Biol., 14, 2019
2BHM
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BU of 2bhm by Molmil
Crystal structure of VirB8 from Brucella suis
Descriptor: TYPE IV SECRETION SYSTEM PROTEIN VIRB8
Authors:Bayliss, R, Baron, C, Waksman, G.
Deposit date:2005-01-14
Release date:2005-03-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of Two Core Subunits of the Bacterial Type Iv Secretion System, Virb8 from Brucella Suis and Comb10 from Helicobacter Pylori
Proc.Natl.Acad.Sci.USA, 102, 2005
2BJ6
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BU of 2bj6 by Molmil
Crystal Structure of a decameric HNA-RNA hybrid
Descriptor: 5'-R(*GP*GP*CP*AP*UP*UP*AP*CP*GP*GP)-3', SULFATE ION, SYNTHETIC HNA
Authors:Maier, T, Przylas, I, Straeter, N, Herdewijn, P, Saenger, W.
Deposit date:2005-01-30
Release date:2005-03-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Reinforced Hna Backbone Hydration in the Crystal Structure of a Decameric Hna/RNA Hybrid
J.Am.Chem.Soc., 127, 2005
2BON
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BU of 2bon by Molmil
Structure of an Escherichia coli lipid kinase (YegS)
Descriptor: LIPID KINASE, MAGNESIUM ION
Authors:Bakali, H.M, Johnson, K.A, Hallberg, B.M, Herman, M.D, Nordlund, P.
Deposit date:2005-04-12
Release date:2006-10-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of Yegs, a Homologue to the Mammalian Diacylglycerol Kinases, Reveals a Novel Regulatory Metal Binding Site.
J.Biol.Chem., 282, 2007
2BRU
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BU of 2bru by Molmil
Complex of the domain I and domain III of Escherichia coli transhydrogenase
Descriptor: NAD(P) TRANSHYDROGENASE SUBUNIT ALPHA, NAD(P) TRANSHYDROGENASE SUBUNIT BETA, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Johansson, T, Pedersen, A, Leckner, J, Karlsson, B.G.
Deposit date:2005-05-11
Release date:2006-08-29
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure Determination of a Transient Complex by NMR Using Paramagnetic Distance Restraints - the Complex of the Soluble Domains of Escherichia Coli Transhydrogenase
To be Published
6D0H
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BU of 6d0h by Molmil
ParT: Prs ADP-ribosylating toxin bound to cognate antitoxin ParS
Descriptor: GLYCEROL, ParS: COG5642 (DUF2384) antitoxin, ParT: COG5654 (RES domain) toxin
Authors:Piscotta, F.J, Jeffrey, P.D, Link, A.J.
Deposit date:2018-04-10
Release date:2019-01-09
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:ParST is a widespread toxin-antitoxin module that targets nucleotide metabolism.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
2BUS
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BU of 2bus by Molmil
SOLUTION CONFORMATION OF PROTEINASE INHIBITOR IIA FROM BULL SEMINAL PLASMA BY 1H NUCLEAR MAGNETIC RESONANCE AND DISTANCE GEOMETRY
Descriptor: PROTEINASE INHIBITOR IIA
Authors:Guntert, P, Williamson, M.P, Havel, T.F, Wuthrich, K.
Deposit date:1990-05-14
Release date:1991-04-15
Last modified:2024-10-30
Method:SOLUTION NMR
Cite:Solution conformation of proteinase inhibitor IIA from bull seminal plasma by 1H nuclear magnetic resonance and distance geometry.
J.Mol.Biol., 182, 1985
2BVE
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BU of 2bve by Molmil
Structure of the N-terminal of Sialoadhesin in complex with 2-Phenyl- Prop5Ac
Descriptor: SIALOADHESIN, benzyl 3,5-dideoxy-5-(propanoylamino)-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid
Authors:Zaccai, N.R, May, A.P, Robinson, R.C, Burtnick, L.D, Crocker, P, Brossmer, R, Kelm, S, Jones, E.Y.
Deposit date:2005-06-27
Release date:2006-07-19
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystallographic and in Silico Analysis of the Sialoside-Binding Characteristics of the Siglec Sialoadhesin.
J.Mol.Biol., 365, 2007
2BVO
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BU of 2bvo by Molmil
Structures of Three HIV-1 HLA-B5703-Peptide Complexes and Identification of Related HLAs Potentially Associated with Long-Term Non-Progression
Descriptor: BETA-2-MICROGLOBULIN, GAG PROTEIN, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ...
Authors:Stewart-Jones, G.B, Gillespie, G, Overton, I.M, Kaul, R, Roche, P, Mcmichael, A.J, Rowland-Jones, S, Jones, E.Y.
Deposit date:2005-07-01
Release date:2005-09-13
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structures of three HIV-1 HLA-B*5703-peptide complexes and identification of related HLAs potentially associated with long-term nonprogression.
J Immunol., 175, 2005
2BV9
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BU of 2bv9 by Molmil
HOW FAMILY 26 GLYCOSIDE HYDROLASES ORCHESTRATE CATALYSIS ON DIFFERENT POLYSACCHARIDES. STRUCTURE AND ACTIVITY OF A CLOSTRIDIUM THERMOCELLUM LICHENASE, CtLIC26A
Descriptor: ENDOGLUCANASE H
Authors:Taylor, E.J, Goyal, A, Guerreiro, C.I.P.D, Prates, J.A.M, Money, V.A, Ferry, N, Morland, C, Planas, A, Macdonald, J.A, Stick, R.V, Gilbert, H.J, Fontes, C.M.G.A, Davies, G.J.
Deposit date:2005-06-23
Release date:2005-06-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:How Family 26 Glycoside Hydrolases Orchestrate Catalysis on Different Polysaccharides: Structure and Activity of a Clostridium Thermocellum Lichenase, Ctlic26A.
J.Biol.Chem., 280, 2005
6D16
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BU of 6d16 by Molmil
Crystal structure of KPC-2 complexed with compound 2
Descriptor: Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, [(7-methoxy-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid
Authors:Pemberton, O.A, Chen, Y.
Deposit date:2018-04-11
Release date:2019-04-17
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
2C53
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BU of 2c53 by Molmil
A comparative study of uracil DNA glycosylases from human and herpes simplex virus type 1
Descriptor: 2'-DEOXYURIDINE, GLYCEROL, URACIL DNA GLYCOSYLASE
Authors:Krusong, K, Carpenter, E.P, Bellmy, S.R.W, Savva, R, Baldwin, G.S.
Deposit date:2005-10-25
Release date:2005-11-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A Comparative Study of Uracil-DNA Glycosylases from Human and Herpes Simplex Virus Type 1.
J.Biol.Chem., 281, 2006
2BQI
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BU of 2bqi by Molmil
CONTRIBUTION OF HYDROPHOBIC EFFECT TO THE CONFORMATIONAL STABILITY OF HUMAN LYSOZYME
Descriptor: LYSOZYME
Authors:Takano, K, Yamagata, Y, Yutani, K.
Deposit date:1998-05-21
Release date:1998-08-12
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A general rule for the relationship between hydrophobic effect and conformational stability of a protein: stability and structure of a series of hydrophobic mutants of human lysozyme.
J.Mol.Biol., 280, 1998
6CTN
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BU of 6ctn by Molmil
Ternary complex crystal structure of DNA polymerase Beta with a dideoxy terminated primer with CFCL,beta-gamma dTTP analogue
Descriptor: 5'-O-[(R)-{[(R)-[(S)-chloro(fluoro)phosphonomethyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine, DNA (5'-D(*CP*CP*GP*AP*CP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(DOC))-3'), ...
Authors:Batra, V.K, Wilson, S.H.
Deposit date:2018-03-23
Release date:2018-06-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Mapping Functional Substrate-Enzyme Interactions in the pol beta Active Site through Chemical Biology: Structural Responses to Acidity Modification of Incoming dNTPs.
Biochemistry, 57, 2018
6D1Y
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BU of 6d1y by Molmil
Crystal structure of Tyrosine-protein kinase receptor in complex with 2,4-dichloro-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzamide Inhibitor
Descriptor: 2,4-dichloro-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzamide, High affinity nerve growth factor receptor
Authors:Greasley, S.E, Johnson, E, Kraus, M.L, Cronin, C.N.
Deposit date:2018-04-12
Release date:2018-05-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Discovery of Allosteric, Potent, Subtype Selective, and Peripherally Restricted TrkA Kinase Inhibitors.
J. Med. Chem., 62, 2019
2BEW
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BU of 2bew by Molmil
Reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal molecular switch
Descriptor: 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, C2-1-HYDROXYPHENYL-THIAMIN DIPHOSPHATE, ...
Authors:Machius, M, Wynn, R.M, Chuang, J.L, Tomchick, D.R, Brautigam, C.A, Chuang, D.T.
Deposit date:2004-11-30
Release date:2006-02-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:A Versatile Conformational Switch Regulates Reactivity in Human Branched-Chain Alpha-Ketoacid Dehydrogenase.
Structure, 14, 2006
2BGW
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BU of 2bgw by Molmil
XPF from Aeropyrum pernix, complex with DNA
Descriptor: 5'-D(*GP*AP*TP*CP*AP*CP*AP*GP*AP*TP *GP*CP*TP*GP*A)-3', 5'-D(*TP*CP*AP*GP*CP*AP*TP*CP*TP*GP *TP*GP*AP*TP*C)-3', MAGNESIUM ION, ...
Authors:Newman, M, Murray-Rust, J, Lally, J, Rudolf, J, Fadden, A, Knowles, P.P, White, M.F, McDonald, N.Q.
Deposit date:2005-01-06
Release date:2005-02-23
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of an XPF endonuclease with and without DNA suggests a model for substrate recognition.
EMBO J., 24, 2005
2BK1
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BU of 2bk1 by Molmil
The pore structure of pneumolysin, obtained by fitting the alpha carbon trace of perfringolysin O into a cryo-EM map
Descriptor: PERFRINGOLYSIN O
Authors:Tilley, S.J, Orlova, E.V, Gilbert, R.J.C, Andrew, P.W, Saibil, H.R.
Deposit date:2005-02-10
Release date:2005-05-04
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (29 Å)
Cite:Structural Basis of Pore Formation by the Bacterial Toxin Pneumolysin
Cell(Cambridge,Mass.), 121, 2005
2BW9
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BU of 2bw9 by Molmil
Laue Structure of L29W MbCO
Descriptor: CARBON MONOXIDE, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE
Authors:Schmidt, M, Nienhaus, K, Pahl, R, Krasselt, A, Anderson, S, Parak, F, Nienhaus, G.U, Srajer, V.
Deposit date:2005-07-13
Release date:2005-07-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Ligand Migration Pathway and Protein Dynamics in Myoglobin: A Time-Resolved Crystallographic Study on L29W Mbco.
Proc.Natl.Acad.Sci.USA, 102, 2005
2BKD
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BU of 2bkd by Molmil
Structure of the N-terminal domain of Fragile X Mental Retardation Protein
Descriptor: Fragile X messenger ribonucleoprotein 1
Authors:Ramos, A, Hollingworth, D, Adinolfi, S, Castets, M, Kelly, G, Frenkiel, T.A, Bardoni, B, Pastore, A.
Deposit date:2005-02-15
Release date:2006-01-18
Last modified:2024-11-06
Method:SOLUTION NMR
Cite:The structure of the N-terminal domain of the fragile X mental retardation protein: a platform for protein-protein interaction.
Structure, 14, 2006
2BSP
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BU of 2bsp by Molmil
BACILLUS SUBTILIS PECTATE LYASE R279K MUTANT
Descriptor: CALCIUM ION, PROTEIN (PECTATE LYASE)
Authors:Pickersgill, R.
Deposit date:1998-07-31
Release date:1998-08-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Conserved Arginine Proximal to the Essential Calcium of Bacillus Subtilis Pectate Lyase Stabilizes the Transition State
To be Published
6D35
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BU of 6d35 by Molmil
Crystal structure of Xenopus Smoothened in complex with cholesterol
Descriptor: CHOLESTEROL, Smoothened,Soluble cytochrome b562,Smoothened
Authors:Huang, P, Zheng, S, Kim, Y, Kruse, A.C, Salic, A.
Deposit date:2018-04-14
Release date:2018-05-23
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:Structural Basis of Smoothened Activation in Hedgehog Signaling.
Cell, 174, 2018
2BXV
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BU of 2bxv by Molmil
Dual binding mode of a novel series of DHODH inhibitors
Descriptor: 2-({[3-FLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)CYCLOPENT-1-ENE-1-CARBOXYLIC ACID, ACETATE ION, DIHYDROOROTATE DEHYDROGENASE, ...
Authors:Baumgartner, R, Walloschek, M, Karlik, M, Gotschlich, A, Tasler, S, Mies, J, Leban, J.
Deposit date:2005-07-27
Release date:2006-08-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Dual binding mode of a novel series of DHODH inhibitors.
J. Med. Chem., 49, 2006
6CVS
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BU of 6cvs by Molmil
Human Aprataxin (Aptx) L248M bound to DNA, AMP and Zn product
Descriptor: ADENOSINE MONOPHOSPHATE, Aprataxin, BETA-MERCAPTOETHANOL, ...
Authors:Schellenberg, M.J, Tumbale, P.S, Williams, R.S.
Deposit date:2018-03-28
Release date:2018-07-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Mechanism of APTX nicked DNA sensing and pleiotropic inactivation in neurodegenerative disease.
EMBO J., 37, 2018
6D3P
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Crystal structure of an exoribonuclease-resistant RNA from Sweet clover necrotic mosaic virus (SCNMV)
Descriptor: IRIDIUM HEXAMMINE ION, RNA (45-MER)
Authors:Steckelberg, A.-L, Akiyama, B.M, Costantino, D.A, Sit, T.L, Nix, J.C, Kieft, J.S.
Deposit date:2018-04-16
Release date:2018-06-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A folded viral noncoding RNA blocks host cell exoribonucleases through a conformationally dynamic RNA structure.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018

243531

数据于2025-10-22公开中

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