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5BPA
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BU of 5bpa by Molmil
X-RAY Co-structure of MMP-13 with 4-[({5-[2-(ethoxycarbonyl)-1H-indol-5-yl]-1-methyl-1H-pyrazol-3-yl}formamido)methyl]benzoate
Descriptor: 4-{[({5-[2-(ethoxycarbonyl)-1H-indol-5-yl]-1-methyl-1H-pyrazol-3-yl}carbonyl)amino]methyl}benzoic acid, CALCIUM ION, Collagenase 3, ...
Authors:Farrow, N.A, Margarit, S.M.
Deposit date:2015-05-27
Release date:2015-06-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Fragment-based discovery of indole inhibitors of matrix metalloproteinase-13.
J. Med. Chem., 54, 2011
4K60
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BU of 4k60 by Molmil
Crystal Structure of Human Chymase in Complex with Fragment 6-bromo-1,3-dihydro-2H-indol-2-one
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-bromo-1,3-dihydro-2H-indol-2-one, Chymase, ...
Authors:Collins, B.K, Padyana, A.K.
Deposit date:2013-04-15
Release date:2013-05-29
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Discovery of Potent, Selective Chymase Inhibitors via Fragment Linking Strategies.
J.Med.Chem., 56, 2013
4K2Y
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BU of 4k2y by Molmil
Crystal Structure of Human Chymase in Complex with Fragment Inhibitor 6-chloro-1,3-dihydro-2H-indol-2-one
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-chloro-1,3-dihydro-2H-indol-2-one, Chymase, ...
Authors:Collins, B.K, Padyana, A.K.
Deposit date:2013-04-09
Release date:2013-05-29
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of Potent, Selective Chymase Inhibitors via Fragment Linking Strategies.
J.Med.Chem., 56, 2013
4K69
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BU of 4k69 by Molmil
Crystal Structure of Human Chymase in Complex with Fragment Linked Benzimidazolone Inhibitor: (3S)-3-{3-[(6-bromo-2-oxo-2,3-dihydro-1H-indol-4-yl)methyl]-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl}hexanoic acid
Descriptor: (3S)-3-{3-[(6-bromo-2-oxo-2,3-dihydro-1H-indol-4-yl)methyl]-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl}hexanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Chymase, ...
Authors:Collins, B.K, Padyana, A.K.
Deposit date:2013-04-15
Release date:2013-05-29
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Discovery of Potent, Selective Chymase Inhibitors via Fragment Linking Strategies.
J.Med.Chem., 56, 2013
5BOT
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BU of 5bot by Molmil
X-RAY Co-structure of MMP-13 with ethyl 5-carbamoyl-1H-indole-2-carboxylate
Descriptor: CALCIUM ION, Collagenase 3, ZINC ION, ...
Authors:Farrow, N.A, Padyana, A.K.
Deposit date:2015-05-27
Release date:2015-06-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Fragment-based discovery of indole inhibitors of matrix metalloproteinase-13.
J. Med. Chem., 54, 2011
4K5Z
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BU of 4k5z by Molmil
Crystal Structure of Human Chymase in Complex with Fragment Inhibitor 6-chloro-2,3-dihydro-1H-isoindol-1-one
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-chloro-2,3-dihydro-1H-isoindol-1-one, Chymase, ...
Authors:Collins, B.K, Padyana, A.K.
Deposit date:2013-04-15
Release date:2013-05-29
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of Potent, Selective Chymase Inhibitors via Fragment Linking Strategies.
J.Med.Chem., 56, 2013
5BOY
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BU of 5boy by Molmil
X-RAY Co-structure of MMP-13 with ethyl 5-(1-methyl-1H-imidazol-5-yl)-1H-indole-2-Carboxylate
Descriptor: CALCIUM ION, Collagenase 3, ZINC ION, ...
Authors:Farrow, N.A.
Deposit date:2015-05-27
Release date:2015-06-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Fragment-based discovery of indole inhibitors of matrix metalloproteinase-13.
J. Med. Chem., 54, 2011
1C0R
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BU of 1c0r by Molmil
COMPLEX OF VANCOMYCIN WITH D-LACTIC ACID
Descriptor: CHLORIDE ION, LACTIC ACID, VANCOMYCIN, ...
Authors:Loll, P.J, Kaplan, J, Selinsky, B, Axelsen, P.H.
Deposit date:1999-07-20
Release date:1999-07-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1 Å)
Cite:Vancomycin Binding to Low-Affinity Ligands: Delineating a Minimum Set of Interactions Necessary for High-Affinity Binding.
J.Med.Chem., 42, 1999
1C0Q
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BU of 1c0q by Molmil
COMPLEX OF VANCOMYCIN WITH 2-ACETOXY-D-PROPANOIC ACID
Descriptor: CHLORIDE ION, LACTIC ACID, VANCOMYCIN, ...
Authors:Loll, P.J, Kaplan, J, Selinsky, B, Axelsen, P.H.
Deposit date:1999-07-20
Release date:1999-07-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1 Å)
Cite:Vancomycin binding to low-affinity ligands: delineating a minimum set of interactions necessary for high-affinity binding.
J.Med.Chem., 42, 1999
4PQP
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BU of 4pqp by Molmil
Crystal structure of human SNX14 PX domain in space group P43212
Descriptor: GLYCEROL, Sorting nexin-14
Authors:Mas, C, Norwood, S, Bugarcic, A, Kinna, G, Leneva, N, Kovtun, O, Teasdale, R, Collins, B.
Deposit date:2014-03-03
Release date:2014-09-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural Basis for Different Phosphoinositide Specificities of the PX Domains of Sorting Nexins Regulating G-protein Signaling.
J.Biol.Chem., 289, 2014
4P2A
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BU of 4p2a by Molmil
Structure of mouse VPS26A bound to rat SNX27 PDZ domain
Descriptor: MERCURY (II) ION, Sorting nexin-27, Vacuolar protein sorting-associated protein 26A
Authors:Clairfeuille, T, Gallon, M, Mas, C, Ghai, R, Teasdale, R, Cullen, P, Collins, B.
Deposit date:2014-03-03
Release date:2014-09-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A unique PDZ domain and arrestin-like fold interaction reveals mechanistic details of endocytic recycling by SNX27-retromer.
Proc.Natl.Acad.Sci.USA, 111, 2014
4PQO
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BU of 4pqo by Molmil
Structure of the human SNX14 PX domain in space group I41
Descriptor: Sorting nexin-14
Authors:Mas, C, Norwood, S, Bugarcic, A, Kinna, G, Leneva, N, Kovtun, O, Teasdale, R, Collins, B.
Deposit date:2014-03-03
Release date:2014-09-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural Basis for Different Phosphoinositide Specificities of the PX Domains of Sorting Nexins Regulating G-protein Signaling.
J.Biol.Chem., 289, 2014
1QD8
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BU of 1qd8 by Molmil
COMPLEX OF VANCOMYCIN WITH N-ACETYL GLYCINE
Descriptor: ACETYLAMINO-ACETIC ACID, CHLORIDE ION, VANCOMYCIN, ...
Authors:Loll, P.J, Kaplan, J, Selinsky, B, Axelsen, P.H.
Deposit date:1999-07-15
Release date:1999-08-16
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1 Å)
Cite:Vancomycin Binding to Low-Affinity Ligands: Delineating a Minimum Set of Interactions Necessary for High-Affinity Binding.
J.Med.Chem., 42, 1999
2BDN
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BU of 2bdn by Molmil
Crystal structure of human MCP-1 bound to a blocking antibody, 11K2
Descriptor: Antibody heavy chain 11K2, Antibody light chain 11K2, Small inducible cytokine A2
Authors:Boriack-Sjodin, P.A, Rushe, M, Reid, C, Jarpe, M, van Vlijmen, H, Bailly, V.
Deposit date:2005-10-20
Release date:2006-06-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Structure activity relationships of monocyte chemoattractant proteins in complex with a blocking antibody.
Protein Eng.Des.Sel., 19, 2006
2FTS
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BU of 2fts by Molmil
Crystal structure of the glycine receptor-gephyrin complex
Descriptor: Glycine receptor beta chain precursor, gephyrin
Authors:Kim, E.Y, Schindelin, H.
Deposit date:2006-01-24
Release date:2006-03-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Deciphering the structural framework of glycine receptor anchoring by gephyrin.
Embo J., 25, 2006
8PPP
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BU of 8ppp by Molmil
Amide bond synthetase from Streptomyces hindustanus K492H mutant in complex with AMP-CPP
Descriptor: DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, Fatty-acyl-CoA synthase
Authors:Tang, Q, Grogan, G.
Deposit date:2023-07-07
Release date:2024-02-07
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Broad Spectrum Enantioselective Amide Bond Synthetase from Streptoalloteichus hindustanus.
Acs Catalysis, 14, 2024
8PYX
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BU of 8pyx by Molmil
Amide bond synthetase from Streptomyces hindustanus K492H mutant in complex with Adenosine
Descriptor: ADENOSINE, Fatty-acyl-CoA synthase, SULFATE ION
Authors:Tang, Q, Grogan, G.
Deposit date:2023-07-26
Release date:2024-02-07
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Broad Spectrum Enantioselective Amide Bond Synthetase from Streptoalloteichus hindustanus.
Acs Catalysis, 14, 2024
8PYY
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BU of 8pyy by Molmil
Amide bond synthetase from Streptomyces hindustanus in open conformation
Descriptor: Fatty-acyl-CoA synthase, SULFATE ION
Authors:Tang, Q, Grogan, G.
Deposit date:2023-07-26
Release date:2024-02-07
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Broad Spectrum Enantioselective Amide Bond Synthetase from Streptoalloteichus hindustanus.
Acs Catalysis, 14, 2024
3NAX
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BU of 3nax by Molmil
PDK1 in complex with inhibitor MP7
Descriptor: 1-(3,4-difluorobenzyl)-2-oxo-N-{(1R)-2-[(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)oxy]-1-phenylethyl}-1,2-dihydropyridine-3-carboxamide, 3-phosphoinositide-dependent protein kinase 1
Authors:Yan, Y, Munshi, S.K, Allison, T.
Deposit date:2010-06-02
Release date:2010-11-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Genetic and pharmacological inhibition of PDK1 in cancer cells: characterization of a selective allosteric kinase inhibitor.
J.Biol.Chem., 286, 2011
3NAY
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BU of 3nay by Molmil
PDK1 in complex with inhibitor MP6
Descriptor: 3-phosphoinositide-dependent protein kinase 1, 4-(2-cyclopropylethylidene)-9-(1H-pyrazol-4-yl)-6-{[(1R)-1,2,2-trimethylpropyl]amino}benzo[c][1,6]naphthyridin-1(4H)-one
Authors:Yan, Y, Munshi, S.K, Allison, T.
Deposit date:2010-06-02
Release date:2010-11-24
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Selective inhibition of PDK1 using an allosteric kinase inhibitor and RNAi impairs cancer cell migration and anchorage-independent growth of primary tumor lines
J.Biol.Chem., 2010
4N56
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BU of 4n56 by Molmil
Binary complex structure of Klenow fragment of Taq DNA polymerase I707L mutant (Cs3C KlenTaq) with DNA
Descriptor: 5'-D(*AP*AP*AP*GP*GP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3', 5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DOC))-3', DNA polymerase I, ...
Authors:Wu, E.Y.
Deposit date:2013-10-09
Release date:2015-01-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A Conservative Isoleucine to Leucine Mutation Causes Major Rearrangements and Cold Sensitivity in KlenTaq1 DNA Polymerase.
Biochemistry, 54, 2015
4N5S
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BU of 4n5s by Molmil
Ternary complex structure of Klenow fragment of Taq DNA polymerase I707L mutant (Cs3C KlenTaq) with DNA and ddCTP
Descriptor: 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-D(*AP*A*AP*GP*GP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3', ...
Authors:Wu, E.Y.
Deposit date:2013-10-10
Release date:2015-01-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:A Conservative Isoleucine to Leucine Mutation Causes Major Rearrangements and Cold Sensitivity in KlenTaq1 DNA Polymerase.
Biochemistry, 54, 2015
4I6O
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BU of 4i6o by Molmil
Crystal structure of chemically synthesized human anaphylatoxin C3a
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Complement C3
Authors:Wang, C.I.A, Ghassemian, A, Collins, B, Lewis, R.J, Alewood, P.F, Durek, T.
Deposit date:2012-11-29
Release date:2013-02-27
Last modified:2013-03-06
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Efficient chemical synthesis of human complement protein C3a.
Chem.Commun.(Camb.), 49, 2013
1R9M
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BU of 1r9m by Molmil
Crystal Structure of Human Dipeptidyl Peptidase IV at 2.1 Ang. Resolution.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase IV, ...
Authors:Aertgeerts, K, Ye, S, Tennant, M.G, Collins, B, Rogers, J, Sang, B.C, Skene, R.J, Webb, D.R, Prasad, G.S.
Deposit date:2003-10-30
Release date:2004-06-29
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of human dipeptidyl peptidase IV in complex with a decapeptide reveals details on substrate specificity and tetrahedral intermediate formation.
Protein Sci., 13, 2004
1R9N
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BU of 1r9n by Molmil
Crystal Structure of human dipeptidyl peptidase IV in complex with a decapeptide (tNPY) at 2.3 Ang. Resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase IV, ...
Authors:Aertgeerts, K, Ye, S, Tennant, M.G, Collins, B, Rogers, J, Sang, B.-C, Skene, R, Webb, D.R, Prasad, G.S.
Deposit date:2003-10-30
Release date:2005-03-29
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of human dipeptidyl peptidase IV in complex with a decapeptide reveals details on substrate specificity and tetrahedral intermediate formation.
Protein Sci., 13, 2004

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