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1TA3
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BU of 1ta3 by Molmil
Crystal Structure of xylanase (GH10) in complex with inhibitor (XIP)
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Endo-1,4-beta-xylanase, ...
Authors:Payan, F, Leone, P, Furniss, C, Tahir, T, Durand, A, Porciero, S, Manzanares, P, Williamson, G, Gilbert, H.J, Juge, N, Roussel, A.
Deposit date:2004-05-19
Release date:2004-07-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Dual Nature of the Wheat Xylanase Protein Inhibitor XIP-I: STRUCTURAL BASIS FOR THE INHIBITION OF FAMILY 10 AND FAMILY 11 XYLANASES.
J.Biol.Chem., 279, 2004
1TAU
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BU of 1tau by Molmil
TAQ POLYMERASE (E.C.2.7.7.7)/DNA/B-OCTYLGLUCOSIDE COMPLEX
Descriptor: 2-O-octyl-beta-D-glucopyranose, DNA (5'-D(*CP*GP*GP*AP*TP*CP*GP*C)-3'), DNA (5'-D(*GP*CP*GP*AP*TP*CP*CP*G)-3'), ...
Authors:Eom, S.H, Wang, J, Steitz, T.A.
Deposit date:1996-06-17
Release date:1997-04-18
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of Taq ploymerase with DNA at the polymerase active site.
Nature, 382, 1996
1TBL
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BU of 1tbl by Molmil
H141N mutant of rat liver arginase I
Descriptor: Arginase 1, MANGANESE (II) ION
Authors:Cama, E, Cox, J.D, Ash, D.E, Christianson, D.W.
Deposit date:2004-05-20
Release date:2005-08-16
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Probing the role of the hyper-reactive histidine residue of arginase.
Arch.Biochem.Biophys., 444, 2005
5R8B
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BU of 5r8b by Molmil
PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z2027049478 in complex with INTERLEUKIN-1 BETA
Descriptor: 5-(1,3-thiazol-2-yl)-1H-1,2,4-triazole, Interleukin-1 beta, SULFATE ION
Authors:De Nicola, G.F, Nichols, C.E.
Deposit date:2020-03-03
Release date:2020-04-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
5R99
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BU of 5r99 by Molmil
PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13619a in complex with MAP kinase p38-alpha
Descriptor: 1,2-ETHANEDIOL, 3-oxidanylidene-3-[4-(phenylmethyl)piperidin-1-yl]propanenitrile, CHLORIDE ION, ...
Authors:De Nicola, G.F, Nichols, C.E.
Deposit date:2020-03-04
Release date:2020-07-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
5R9P
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BU of 5r9p by Molmil
PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13430a in complex with MAP kinase p38-alpha
Descriptor: 4-amino-N-(pyridin-2-yl)benzenesulfonamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:De Nicola, G.F, Nichols, C.E.
Deposit date:2020-03-04
Release date:2020-07-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
1W1A
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BU of 1w1a by Molmil
Structure of Bacillus subtilis PdaA in complex with NAG, a family 4 Carbohydrate esterase.
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, CADMIUM ION, GLYCEROL, ...
Authors:Blair, D.E, van Aalten, D.M.F.
Deposit date:2004-06-18
Release date:2005-01-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structures of Bacillus subtilis PdaA, a family 4 carbohydrate esterase, and a complex with N-acetyl-glucosamine.
FEBS Lett., 570, 2004
5RA6
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BU of 5ra6 by Molmil
PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N11338a in complex with MAP kinase p38-alpha
Descriptor: 1-[(1~{R},2~{R},4~{S})-2-bicyclo[2.2.1]heptanyl]-3-(2-pyridin-2-ylethyl)thiourea, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:De Nicola, G.F, Nichols, C.E.
Deposit date:2020-03-04
Release date:2020-07-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
5R88
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BU of 5r88 by Molmil
PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z1545313172 in complex with INTERLEUKIN-1 BETA
Descriptor: (2~{S})-~{N}-(4-aminocarbonylphenyl)oxolane-2-carboxamide, Interleukin-1 beta, SULFATE ION
Authors:De Nicola, G.F, Nichols, C.E.
Deposit date:2020-03-03
Release date:2020-04-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
5R8P
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BU of 5r8p by Molmil
PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z818727262 in complex with INTERLEUKIN-1 BETA
Descriptor: Interleukin-1 beta, SULFATE ION, ~{N}-[[(3~{S})-oxolan-3-yl]methyl]cyclopropanamine
Authors:De Nicola, G.F, Nichols, C.E.
Deposit date:2020-03-03
Release date:2020-04-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
5R96
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BU of 5r96 by Molmil
PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment KCL095 in complex with MAP kinase p38-alpha
Descriptor: 3-(4-chlorophenyl)imidazole-2,4-dione, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:De Nicola, G.F, Nichols, C.E.
Deposit date:2020-03-04
Release date:2020-07-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.767 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
1VED
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BU of 1ved by Molmil
The crystal structure of the orthorhombic form of hen egg white lysozyme at 1.9 angstroms resolution in space
Descriptor: Lysozyme C
Authors:Aibara, S, Suzuki, A, Kidera, A, Shibata, K, Yamane, T, DeLucas, L.J, Hirose, M.
Deposit date:2004-03-30
Release date:2004-04-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The crystal structure of the orthorhombic form of hen egg white lysozyme at 1.9 angstroms resolution in space
To be Published
5R9O
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BU of 5r9o by Molmil
PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N06122b in complex with MAP kinase p38-alpha
Descriptor: 3-(pyridin-2-yloxy)aniline, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:De Nicola, G.F, Nichols, C.E.
Deposit date:2020-03-04
Release date:2020-07-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
1VS3
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BU of 1vs3 by Molmil
Crystal Structure of the tRNA Pseudouridine Synthase TruA From Thermus thermophilus HB8
Descriptor: tRNA pseudouridine synthase A
Authors:Dong, X, Bessho, Y, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2006-06-28
Release date:2006-12-12
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of tRNA pseudouridine synthase TruA from Thermus thermophilus HB8.
Rna Biol., 3, 2006
5RA0
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BU of 5ra0 by Molmil
PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13421a in complex with MAP kinase p38-alpha
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 14, ...
Authors:De Nicola, G.F, Nichols, C.E.
Deposit date:2020-03-04
Release date:2020-07-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
1VIQ
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BU of 1viq by Molmil
Crystal structure of putative ADP ribose pyrophosphatase
Descriptor: ADP-ribose pyrophosphatase
Authors:Structural GenomiX
Deposit date:2003-12-01
Release date:2003-12-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural analysis of a set of proteins resulting from a bacterial genomics project
Proteins, 60, 2005
1VRL
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BU of 1vrl by Molmil
MutY adenine glycosylase in complex with DNA and soaked adenine free base
Descriptor: 5'-D(*AP*AP*GP*AP*CP*(8OG)P*TP*GP*GP*AP*C)-3', 5'-D(*TP*GP*TP*CP*CP*AP*(HPD)P*GP*TP*CP*T)-3', ADENINE, ...
Authors:Fromme, J.C, Banerjee, A, Huang, S.J, Verdine, G.L.
Deposit date:2005-03-08
Release date:2005-03-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for removal of adenine mispaired with 8-oxoguanine by MutY adenine DNA glycosylase
Nature, 427, 2004
1VCU
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BU of 1vcu by Molmil
Structure of the human cytosolic sialidase Neu2 in complex with the inhibitor DANA
Descriptor: 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Sialidase 2
Authors:Chavas, L.M.G, Fusi, P, Tringali, C, Venerando, B, Tettamanti, G, Kato, R, Monti, E, Wakatsuki, S.
Deposit date:2004-03-12
Release date:2004-11-02
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Crystal Structure of the Human Cytosolic Sialidase Neu2: EVIDENCE FOR THE DYNAMIC NATURE OF SUBSTRATE RECOGNITION
J.Biol.Chem., 280, 2005
1VDS
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BU of 1vds by Molmil
The crystal structure of the tetragonal form of hen egg white lysozyme at 1.6 angstroms resolution in space
Descriptor: Lysozyme C
Authors:Aibara, S, Suzuki, A, Kidera, A, Shibata, K, Yamane, T, DeLucas, L.J, Hirose, M.
Deposit date:2004-03-24
Release date:2004-04-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The crystal structure of the tetragonal form of hen egg white lysozyme at 1.6 angstroms resolution in space
to be published
1VEI
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BU of 1vei by Molmil
Mycobacterium smegmatis Dps
Descriptor: FE (III) ION, SULFATE ION, starvation-induced DNA protecting protein
Authors:Roy, S, Gupta, S, Das, S, Sekar, K, Chatterji, D, Vijayan, M.
Deposit date:2004-03-31
Release date:2004-06-29
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:X-ray Analysis of Mycobacterium smegmatis Dps and a Comparative Study Involving Other Dps and Dps-like Molecules
J.Mol.Biol., 339, 2004
1VEN
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BU of 1ven by Molmil
Crystal Structure Analysis of Y164E/maltose of Bacilus cereus Beta-amylase at pH 4.6
Descriptor: Beta-amylase, CALCIUM ION, alpha-D-glucopyranose
Authors:Hirata, A, Adachi, M, Utsumi, S, Mikami, B.
Deposit date:2004-04-03
Release date:2005-05-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Engineering of the pH optimum of Bacillus cereus beta-amylase: conversion of the pH optimum from a bacterial type to a higher-plant type
Biochemistry, 43, 2004
1VPD
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BU of 1vpd by Molmil
X-Ray Crystal Structure of Tartronate Semialdehyde Reductase [Salmonella Typhimurium LT2]
Descriptor: CHLORIDE ION, L(+)-TARTARIC ACID, TARTRONATE SEMIALDEHYDE REDUCTASE
Authors:Osipiuk, J, Zhou, M, Moy, S, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2004-10-22
Release date:2004-10-26
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:X-ray crystal structure of GarR-tartronate semialdehyde reductase from Salmonella typhimurium.
J Struct Funct Genomics, 10, 2009
1VQ5
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BU of 1vq5 by Molmil
The structure of the transition state analogue "RAA" bound to the large ribosomal subunit of haloarcula marismortui
Descriptor: 23S ribosomal rna, 5'-D(*(DC)P*(DC)P*(5AA)P*(2OP)P*(PO2)P*AP*C*C)-3'), 50S RIBOSOMAL PROTEIN L10E, ...
Authors:Schmeing, T.M, Steitz, T.A.
Deposit date:2004-12-16
Release date:2005-11-29
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Insights into the Roles of Water and the 2' Hydroxyl of the P Site tRNA in the Peptidyl Transferase Reaction.
Mol.Cell, 20, 2005
1VDQ
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BU of 1vdq by Molmil
The crystal structure of the orthorhombic form of hen egg white lysozyme at 1.5 angstroms resolution
Descriptor: Lysozyme C
Authors:Aibara, S, Suzuki, A, Kidera, A, Shibata, K, Yamane, T, DeLucas, L.J, Hirose, M.
Deposit date:2004-03-24
Release date:2004-04-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The crystal structure of the orthorhombic form of hen egg white lysozyme at 1.5 angstroms resolution
to be published
1VDT
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BU of 1vdt by Molmil
The crystal structure of the tetragonal form of hen egg white lysozyme at 1.7 angstroms resolution under basic conditions in space
Descriptor: Lysozyme C
Authors:Aibara, S, Suzuki, A, Kidera, A, Shibata, K, Yamane, T, DeLucas, L.J, Hirose, M.
Deposit date:2004-03-24
Release date:2004-04-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The crystal structure of the tetragonal form of hen egg white lysozyme at 1.7 angstroms resolution under basic conditions in space
to be published

223790

数据于2024-08-14公开中

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