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4P2Z
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BU of 4p2z by Molmil
Structure of NavMS T207A/F214A
Descriptor: DODECAETHYLENE GLYCOL, HEGA-10, Ion transport protein, ...
Authors:Bagneris, C, Naylor, C.E, Wallace, B.A.
Deposit date:2014-03-05
Release date:2014-06-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.08 Å)
Cite:Prokaryotic NavMs channel as a structural and functional model for eukaryotic sodium channel antagonism.
Proc.Natl.Acad.Sci.USA, 111, 2014
4P4W
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BU of 4p4w by Molmil
Dodecamer formed by a macrocyclic peptide derived from beta-2-microglobulin (63-69) - (ORN)YLL(PHI)YTE(ORN)KVA(MVA)AVK
Descriptor: CHLORIDE ION, CYCLIC HEXADECAPEPTIDE (ORN)YLL(PHI)YTE(ORN)KVA(MVA)AVK, SODIUM ION, ...
Authors:Spencer, R.K, Kreutzer, A, Nowick, J.S.
Deposit date:2014-03-13
Release date:2015-05-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.498 Å)
Cite:X-ray Crystallographic Structures of Oligomers of Peptides Derived from beta 2-Microglobulin.
J.Am.Chem.Soc., 137, 2015
1IP3
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G68A HUMAN LYSOZYME
Descriptor: LYSOZYME C, SODIUM ION, SULFATE ION
Authors:Takano, K, Yamagata, Y, Yutani, K.
Deposit date:2001-04-20
Release date:2001-11-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Role of amino acid residues in left-handed helical conformation for the conformational stability of a protein.
Proteins, 45, 2001
2HDS
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BU of 2hds by Molmil
AmpC beta-lactamase in complex with 4-Methanesulfonylamino benzoic acid
Descriptor: 4-[(METHYLSULFONYL)AMINO]BENZOIC ACID, Beta-lactamase, PHOSPHATE ION, ...
Authors:Babaoglu, K, Shoichet, B.K.
Deposit date:2006-06-20
Release date:2006-11-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Deconstructing fragment-based inhibitor discovery
Nat.Chem.Biol., 2, 2006
4LSS
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BU of 4lss by Molmil
Crystal structure of broadly and potently neutralizing antibody VRC01 in complex with HIV-1 clade A strain KER_2018_11 gp120
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HEAVY CHAIN OF ANTIBODY VRC01, ...
Authors:Zhou, T, Moquin, S, Kwong, P.D.
Deposit date:2013-07-23
Release date:2013-08-21
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Multidonor Analysis Reveals Structural Elements, Genetic Determinants, and Maturation Pathway for HIV-1 Neutralization by VRC01-Class Antibodies.
Immunity, 39, 2013
4LZ1
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BU of 4lz1 by Molmil
X-ray structure of the complex between human thrombin and the TBA deletion mutant lacking thymine 12 nucleobase
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, POTASSIUM ION, ...
Authors:Pica, A, Russo Krauss, I, Merlino, A, Sica, F.
Deposit date:2013-07-31
Release date:2014-01-08
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Dissecting the contribution of thrombin exosite I in the recognition of thrombin binding aptamer.
Febs J., 280, 2013
1MJ9
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BU of 1mj9 by Molmil
Crystal structure of yeast Esa1(C304S) mutant complexed with Coenzyme A
Descriptor: COENZYME A, ESA1 PROTEIN, SODIUM ION
Authors:Yan, Y, Harper, S, Speicher, D, Marmorstein, R.
Deposit date:2002-08-27
Release date:2002-10-30
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The catalytic mechanism of the ESA1 histone acetyltransferase involves a self-acetylated intermediate.
Nat.Struct.Biol., 9, 2002
2HJP
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BU of 2hjp by Molmil
Crystal Structure of Phosphonopyruvate Hydrolase Complex with Phosphonopyruvate and Mg++
Descriptor: CHLORIDE ION, MAGNESIUM ION, PHOSPHONOPYRUVATE, ...
Authors:Chen, C.C.H, Herzberg, O.
Deposit date:2006-06-30
Release date:2006-10-03
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure and Kinetics of Phosphonopyruvate Hydrolase from Voriovorax sp. Pal2: New Insight into the Divergence of Catalysis within the PEP Mutase/Isocitrate Lyase Superfamily
Biochemistry, 45, 2006
4M4V
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BU of 4m4v by Molmil
Structural evaluation R171L mutant of the aspergillus fumigatus kdnase (sialidase)
Descriptor: 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, Extracellular sialidase/neuraminidase, putative, ...
Authors:Telford, J.C, Taylor, G.L.
Deposit date:2013-08-07
Release date:2014-09-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Active site mutants of a fungal KDNase
To be Published
1LZ9
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BU of 1lz9 by Molmil
ANOMALOUS SIGNAL OF SOLVENT BROMINES USED FOR PHASING OF LYSOZYME
Descriptor: BROMIDE ION, PROTEIN (LYSOZYME), SODIUM ION
Authors:Dauter, Z, Dauter, M.
Deposit date:1999-03-15
Release date:1999-05-26
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Anomalous signal of solvent bromides used for phasing of lysozyme.
J.Mol.Biol., 289, 1999
4P4Z
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BU of 4p4z by Molmil
Octomer formed by a macrocyclic peptide derived from beta-2-microglobulin (63-69) - (ORN)YLL(PHI)YTE(ORN)KVT(MVA)TVK
Descriptor: CYCLIC HEXADECAPEPTIDE (ORN)YLL(PHI)YTE(ORN)KVT(MVA)TVK, PHOSPHATE ION, SODIUM ION
Authors:Spencer, R.K, Nowick, J.S.
Deposit date:2014-03-13
Release date:2015-05-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:X-ray Crystallographic Structures of Oligomers of Peptides Derived from beta 2-Microglobulin.
J.Am.Chem.Soc., 137, 2015
4P9P
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BU of 4p9p by Molmil
Structure of NavMS in complex with channel blocking compound
Descriptor: BROMIDE ION, DODECAETHYLENE GLYCOL, HEGA-10, ...
Authors:Naylor, C.E, Bagneris, C, Wallace, B.A.
Deposit date:2014-04-04
Release date:2014-06-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Prokaryotic NavMs channel as a structural and functional model for eukaryotic sodium channel antagonism.
Proc.Natl.Acad.Sci.USA, 111, 2014
4L37
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BU of 4l37 by Molmil
SP2-SP3 - a complex of two storage proteins from Bombyx mori hemolymph
Descriptor: Arylphorin, SODIUM ION, SULFATE ION, ...
Authors:Pietrzyk, A.J, Bujacz, A, Mueller-Dieckmann, J, Jaskolski, M, Bujacz, G.
Deposit date:2013-06-05
Release date:2013-12-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystallographic identification of an unexpected protein complex in silkworm haemolymph.
Acta Crystallogr.,Sect.D, 69, 2013
1MAU
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BU of 1mau by Molmil
Crystal structure of Tryptophanyl-tRNA Synthetase Complexed with ATP and Tryptophanamide in a Pre-Transition state Conformation
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CITRIC ACID, GLYCEROL, ...
Authors:Retailleau, P, Huang, X, Yin, Y, Hu, M, Weinreb, V, Vachette, P, Vonrhein, C, Bricogne, G, Roversi, P, Ilyin, V, Carter Jr, C.W.
Deposit date:2002-08-02
Release date:2003-01-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Interconversion of ATP binding and conformational free energies by tryptophanyl-tRNA synthetase: structures of ATP bound to open and closed, pre-transition-state conformations.
J.Mol.Biol., 325, 2003
1M0O
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BU of 1m0o by Molmil
Structure of Dialkylglycine Decarboxylase Complexed with 1-Amino-1-methylpropanephosphonate
Descriptor: (1R)-1-[((1E)-{3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYLENE)AMINO]-1-METHYLPROPYLPHOSPHONIC ACID, 2,2-Dialkylglycine decarboxylase, POTASSIUM ION, ...
Authors:Liu, W, Rogers, C.J, Fisher, A.J, Toney, M.D.
Deposit date:2002-06-13
Release date:2002-10-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Aminophosphonate Inhibitors of Dialkylglycine Decarboxylase: Structural Basis for Slow Binding Inhibition
Biochemistry, 41, 2002
3I8T
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BU of 3i8t by Molmil
N-terminal CRD1 domain of mouse Galectin-4 in complex with lactose
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Galectin-4, ...
Authors:Brynda, J, Krejcirikova, V, Rezacova, P.
Deposit date:2009-07-10
Release date:2011-02-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of the mouse galectin-4 N-terminal carbohydrate-recognition domain reveals the mechanism of oligosaccharide recognition
Acta Crystallogr.,Sect.D, 67, 2011
3IMX
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BU of 3imx by Molmil
Crystal Structure of human glucokinase in complex with a synthetic activator
Descriptor: (2R)-3-cyclopentyl-N-(5-methoxy[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-{4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}propanamide, Glucokinase, SODIUM ION, ...
Authors:Stams, T, Vash, B.
Deposit date:2009-08-11
Release date:2009-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Investigation of functionally liver selective glucokinase activators for the treatment of type 2 diabetes.
J.Med.Chem., 52, 2009
1NG8
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BU of 1ng8 by Molmil
G15-Gramicidin A in Sodium Dodecyl Sulfate Micelles (NMR)
Descriptor: GRAMICIDIN A
Authors:Sham, S.S, Townsley, L.E, Hinton, J.F.
Deposit date:2002-12-17
Release date:2002-12-31
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:The Structure, Cation Binding, Transport and Conductance of Gly15-Gramicidin a Incorporated Into Sds Micelles and Pc/Pg Vesicles
Biochemistry, 42, 2003
4E05
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BU of 4e05 by Molmil
Anophelin from the malaria vector inhibits thrombin through a novel reverse-binding mechanism
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, Salivary anti-thrombin peptide anophelin, ...
Authors:Figueiredo, A.C, de Sanctis, D, Gutierrez-Gallego, R, Cereija, T.B, Macedo-Ribeiro, S, Fuentes-Prior, P, Pereira, P.J.B.
Deposit date:2012-03-02
Release date:2012-12-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.304 Å)
Cite:Unique thrombin inhibition mechanism by anophelin, an anticoagulant from the malaria vector.
Proc.Natl.Acad.Sci.USA, 109, 2012
4E0J
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BU of 4e0j by Molmil
Protelomerase tela R255A mutant complexed with DNA hairpin product
Descriptor: CHLORIDE ION, DNA (5'-D(*CP*AP*TP*AP*AP*TP*AP*AP*CP*AP*AP*TP*A)-3'), DNA (5'-D(*TP*CP*AP*TP*GP*AP*TP*AP*TP*TP*GP*TP*TP*AP*TP*TP*AP*TP*G)-3'), ...
Authors:Shi, K, Aihara, H.
Deposit date:2012-03-04
Release date:2013-02-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:An enzyme-catalyzed multistep DNA refolding mechanism in hairpin telomere formation.
Plos Biol., 11, 2013
4E06
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BU of 4e06 by Molmil
Anophelin from the malaria vector inhibits thrombin through a novel reverse-binding mechanism
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, Salivary anti-thrombin peptide anophelin, ...
Authors:Figueiredo, A.C, de Sanctis, D, Gutierrez-Gallego, R, Cereija, T.B, Macedo-Ribeiro, S, Fuentes-Prior, P, Pereira, P.J.B.
Deposit date:2012-03-02
Release date:2012-12-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.196 Å)
Cite:Unique thrombin inhibition mechanism by anophelin, an anticoagulant from the malaria vector.
Proc.Natl.Acad.Sci.USA, 109, 2012
3IV2
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BU of 3iv2 by Molmil
Crystal structure of mature apo-Cathepsin L C25A mutant
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cathepsin L1, GLYCEROL, ...
Authors:Adams-Cioaba, M.A, Krupa, J.C, Mort, J.S, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J.
Deposit date:2009-08-31
Release date:2010-03-23
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for the recognition and cleavage of histone H3 by cathepsin L.
Nat Commun, 2, 2011
3IC3
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BU of 3ic3 by Molmil
Structure of a putative pyruvate dehydrogenase from the photosynthetic bacterium Rhodopseudomonas palustrus CGA009
Descriptor: 1,2-ETHANEDIOL, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Cuff, M.E, Tesar, C, Jedrzejczak, R, Mckinlay, J.B, Harwood, C.S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2009-07-17
Release date:2009-09-22
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of a putative pyruvate dehydrogenase from the photosynthetic bacterium Rhodopseudomonas palustrus CGA009
TO BE PUBLISHED
4ECY
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BU of 4ecy by Molmil
Human DNA polymerase eta - DNA ternary complex: AT crystal at pH 6.0 (Na+ MES) with 1 Ca2+ ion
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), ...
Authors:Nakamura, T, Zhao, Y, Yang, W.
Deposit date:2012-03-26
Release date:2012-07-11
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.943 Å)
Cite:Watching DNA polymerase eta make a phosphodiester bond
Nature, 487, 2012
4E7R
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BU of 4e7r by Molmil
Thrombin in complex with 3-amidinophenylalanine inhibitor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[(2S)-3-[4-(2-aminoethyl)piperidin-1-yl]-2-{[(2',4'-dichlorobiphenyl-3-yl)sulfonyl]amino}-3-oxopropyl]benzenecarboximidamide, GLYCEROL, ...
Authors:Ruehmann, E, Heine, A, Klebe, G.
Deposit date:2012-03-19
Release date:2012-06-20
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:New 3-amidinophenylalanine-derived inhibitors of matriptase
MEDCHEMCOMM, 3, 2012

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数据于2024-07-17公开中

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