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4NMT
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BU of 4nmt by Molmil
CFTR Associated Ligand (CAL) PDZ domain bound to peptide iCAL36(TFA-K-1) (ANSRWPTS[Tfa-acyl-K]I)
Descriptor: GLYCEROL, Golgi-associated PDZ and coiled-coil motif-containing protein, iCAL36(TFA-K-1) peptide
Authors:Amacher, J.F, Madden, D.R.
Deposit date:2013-11-15
Release date:2014-10-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Chemically Modified Peptide Scaffolds Target the CFTR-Associated Ligand PDZ Domain.
Plos One, 9, 2014
1EHN
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BU of 1ehn by Molmil
CRYSTAL STRUCTURE OF CHITINASE A MUTANT E315Q COMPLEXED WITH OCTA-N-ACETYLCHITOOCTAOSE (NAG)8.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHITINASE A
Authors:Papanikolau, Y, Prag, G, Tavlas, G, Vorgias, C.E, Oppenheim, A.B, Petratos, K.
Deposit date:2000-02-22
Release date:2001-02-22
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:High resolution structural analyses of mutant chitinase A complexes with substrates provide new insight into the mechanism of catalysis.
Biochemistry, 40, 2001
6GXV
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BU of 6gxv by Molmil
Amylase in complex with acarbose
Descriptor: 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, A-amylase, CALCIUM ION, ...
Authors:Agirre, J, Moroz, O, Meier, S, Brask, J, Munch, A, Hoff, T, Andersen, C, Wilson, K.S, Davies, G.J.
Deposit date:2018-06-27
Release date:2019-01-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:The structure of the AliC GH13 alpha-amylase from Alicyclobacillus sp. reveals the accommodation of starch branching points in the alpha-amylase family.
Acta Crystallogr D Struct Biol, 75, 2019
1HV8
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BU of 1hv8 by Molmil
CRYSTAL STRUCTURE OF A DEAD BOX PROTEIN FROM THE HYPERTHERMOPHILE METHANOCOCCUS JANNASCHII
Descriptor: PUTATIVE ATP-DEPENDENT RNA HELICASE MJ0669, SULFATE ION
Authors:Story, R.M, Li, H, Abelson, J.N.
Deposit date:2001-01-08
Release date:2001-02-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of a DEAD box protein from the hyperthermophile Methanococcus jannaschii.
Proc.Natl.Acad.Sci.USA, 98, 2001
6GYA
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BU of 6gya by Molmil
Amylase in complex with branched ligand
Descriptor: A-amylase, CALCIUM ION, SODIUM ION, ...
Authors:Agirre, J, Moroz, O, Meier, S, Brask, J, Munch, A, Hoff, T, Andersen, C, Wilson, K.S, Davies, G.J.
Deposit date:2018-06-28
Release date:2019-01-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:The structure of the AliC GH13 alpha-amylase from Alicyclobacillus sp. reveals the accommodation of starch branching points in the alpha-amylase family.
Acta Crystallogr D Struct Biol, 75, 2019
1ENX
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BU of 1enx by Molmil
STRUCTURAL COMPARISON OF TWO MAJOR ENDO-1,4-BETA-XYLANASES FROM TRICHODREMA REESEI
Descriptor: ENDO-1,4-BETA-XYLANASE II
Authors:Rouvinen, J, Torronen, A.
Deposit date:1994-11-14
Release date:1995-08-08
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural comparison of two major endo-1,4-xylanases from Trichoderma reesei.
Biochemistry, 34, 1995
4NPP
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BU of 4npp by Molmil
The GLIC-His10 wild-type structure in equilibrium between the open and locally-closed (LC) forms
Descriptor: NICKEL (II) ION, Proton-gated ion channel
Authors:Sauguet, L, Shahsavar, A, Poitevin, F, Huon, C, Menny, A, Nemecz, A, Haouz, A, Changeux, J.P, Corringer, P.J, Delarue, M.
Deposit date:2013-11-22
Release date:2013-12-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Crystal structures of a pentameric ligand-gated ion channel provide a mechanism for activation.
Proc.Natl.Acad.Sci.USA, 111, 2014
1YWO
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BU of 1ywo by Molmil
Phospholipase Cgamma1 SH3 in complex with a SLP-76 motif
Descriptor: 1-phosphatidylinositol-4,5-bisphosphate phosphodiesterase gamma 1, Lymphocyte cytosolic protein 2
Authors:Deng, L, Velikovsky, C.A, Swaminathan, C.P, Cho, S, Mariuzza, R.A.
Deposit date:2005-02-18
Release date:2005-08-16
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Structural Basis for Recognition of the T Cell Adaptor Protein SLP-76 by the SH3 Domain of Phospholipase Cgamma1
J.Mol.Biol., 352, 2005
1HNY
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BU of 1hny by Molmil
The structure of human pancreatic alpha-amylase at 1.8 angstroms resolution and comparisons with related enzymes
Descriptor: CALCIUM ION, CHLORIDE ION, HUMAN PANCREATIC ALPHA-AMYLASE
Authors:Luo, Y, Brayer, G.D.
Deposit date:1995-06-28
Release date:1996-03-08
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The structure of human pancreatic alpha-amylase at 1.8 A resolution and comparisons with related enzymes.
Protein Sci., 4, 1995
1EJX
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BU of 1ejx by Molmil
CRYSTAL STRUCTURE OF WILD-TYPE KLEBSIELLA AEROGENES UREASE AT 100K
Descriptor: NICKEL (II) ION, UREASE ALPHA SUBUNIT, UREASE BETA SUBUNIT, ...
Authors:Pearson, M.A, Karplus, P.A.
Deposit date:2000-03-04
Release date:2003-07-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure of Wild-type Klebsiella aerogenes Urease at 100K
To be published
5DH5
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BU of 5dh5 by Molmil
PDE10 complexed with N-[(1-methylpyrazol-4-yl)methyl]-5-[[(1S,2S)-2-(2-pyridyl)cyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine
Descriptor: MAGNESIUM ION, N-[(1-methyl-1H-pyrazol-4-yl)methyl]-5-{[(1S,2S)-2-(pyridin-2-yl)cyclopropyl]methoxy}pyrazolo[1,5-a]pyrimidin-7-amine, ZINC ION, ...
Authors:Yan, Y.
Deposit date:2015-08-29
Release date:2016-01-27
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of pyrazolopyrimidine phosphodiesterase 10A inhibitors for the treatment of schizophrenia.
Bioorg.Med.Chem.Lett., 26, 2016
6GZM
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BU of 6gzm by Molmil
Crystal Structure of Human CKIdelta with A86
Descriptor: CITRIC ACID, Casein kinase I isoform delta, GLYCEROL, ...
Authors:Ben-neriah, Y, Venkatachalam, A, Minzel, W, Fink, A, Snir-Alkalay, I, Vacca, J.
Deposit date:2018-07-04
Release date:2018-08-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Small Molecules Co-targeting CKI alpha and the Transcriptional Kinases CDK7/9 Control AML in Preclinical Models.
Cell, 175, 2018
6BSQ
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BU of 6bsq by Molmil
Enterococcus faecalis Penicillin Binding Protein 4 (PBP4)
Descriptor: CHLORIDE ION, GLYCEROL, PBP4 protein
Authors:Moon, T.M, D'Andrea, E.D, Peti, W, Page, R.
Deposit date:2017-12-04
Release date:2018-10-31
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The structures of penicillin-binding protein 4 (PBP4) and PBP5 fromEnterococciprovide structural insights into beta-lactam resistance.
J. Biol. Chem., 293, 2018
3ES5
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BU of 3es5 by Molmil
Crystal Structure of Partitivirus (PsV-F)
Descriptor: Putative capsid protein
Authors:Pan, J, Dong, L, Lin, L, Ochoa, W.F, Sinkovits, R.S, Havens, W.M, Nibert, M.L, Baker, T.S, Ghabrial, S.A, Tao, Y.J.
Deposit date:2008-10-03
Release date:2009-03-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Atomic structure reveals the unique capsid organization of a dsRNA virus.
Proc.Natl.Acad.Sci.USA, 106, 2009
3ESZ
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BU of 3esz by Molmil
K2AK3A Flavodoxin from Anabaena
Descriptor: FLAVIN MONONUCLEOTIDE, FLAVODOXIN, GLYCEROL, ...
Authors:Herguedas, B, Martinez-Julvez, M, Hermoso, J, Goni, G, Medina, M.
Deposit date:2008-10-06
Release date:2009-02-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Flavodoxin: A compromise between efficiency and versatility in the electron transfer from Photosystem I to Ferredoxin-NADP(+) reductase
Biochim.Biophys.Acta, 1787, 2009
1HPU
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BU of 1hpu by Molmil
5'-NUCLEOTIDASE (CLOSED FORM), COMPLEX WITH AMPCP
Descriptor: 5'-NUCLEOTIDASE, MANGANESE (II) ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER
Authors:Knoefel, T, Straeter, N.
Deposit date:2000-12-13
Release date:2002-03-20
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Mechanism of hydrolysis of phosphate esters by the dimetal center of 5'-nucleotidase based on crystal structures.
J.Mol.Biol., 309, 2001
1EUZ
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BU of 1euz by Molmil
GLUTAMATE DEHYDROGENASE FROM THERMOCOCCUS PROFUNDUS IN THE UNLIGATED STATE
Descriptor: GLUTAMATE DEHYDROGENASE, SULFATE ION
Authors:Nakasako, M.
Deposit date:2000-04-19
Release date:2001-04-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Large-scale domain movements and hydration structure changes in the active-site cleft of unligated glutamate dehydrogenase from Thermococcus profundus studied by cryogenic X-ray crystal structure analysis and small-angle X-ray scattering.
Biochemistry, 40, 2001
1HTP
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BU of 1htp by Molmil
REFINED STRUCTURES AT 2 ANGSTROMS AND 2.2 ANGSTROMS OF THE TWO FORMS OF THE H-PROTEIN, A LIPOAMIDE-CONTAINING PROTEIN OF THE GLYCINE DECARBOXYLASE COMPLEX
Descriptor: 6-(HYDROXYETHYLDITHIO)-8-(AMINOMETHYLTHIO)OCTANOIC ACID, H-PROTEIN
Authors:Pares, S, Cohen-Addad, C.
Deposit date:1995-01-11
Release date:1995-03-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The lipoamide arm in the glycine decarboxylase complex is not freely swinging.
Nat.Struct.Biol., 2, 1995
3W9V
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BU of 3w9v by Molmil
Crystal structure of refolded DING protein
Descriptor: GLYCEROL, PHOSPHATE ION, Phosphate-binding protein
Authors:Gai, Z.Q, Nakamura, A, Tanaka, Y, Hirano, N, Tanaka, I, Yao, M.
Deposit date:2013-04-17
Release date:2013-10-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.031 Å)
Cite:Crystal structure analysis, overexpression and refolding behaviour of a DING protein with single mutation.
J.SYNCHROTRON RADIAT., 20, 2013
1EW8
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BU of 1ew8 by Molmil
ALKALINE PHOSPHATASE (E.C. 3.1.3.1) COMPLEX WITH PHOSPHONOACETIC ACID
Descriptor: ALKALINE PHOSPHATASE, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Holtz, K.M, Stec, B, Myers, J.K, Antonelli, S.M, Widlanski, T.S, Kantrowitz, E.R.
Deposit date:2000-04-24
Release date:2002-05-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Alternate modes of binding in two crystal structures of alkaline phosphatase-inhibitor complexes.
Protein Sci., 9, 2000
7Y0W
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BU of 7y0w by Molmil
Local structure of BD55-5514 and BD55-5840 Fab and Omicron BA.1 RBD complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, BD55-5514H, BD55-5514L, ...
Authors:Zhang, Z, Xiao, J.
Deposit date:2022-06-06
Release date:2022-09-28
Last modified:2023-04-12
Method:ELECTRON MICROSCOPY (3.42 Å)
Cite:Rational identification of potent and broad sarbecovirus-neutralizing antibody cocktails from SARS convalescents.
Cell Rep, 41, 2022
5CMV
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BU of 5cmv by Molmil
Ultrafast dynamics in myoglobin: dark-state, CO-ligated structure
Descriptor: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I.
Deposit date:2015-07-17
Release date:2015-09-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation.
Science, 350, 2015
5CLB
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BU of 5clb by Molmil
Alkylpurine DNA glycosylase AlkD bound to DNA containing a 3-methyladenine analog (9-mer A)
Descriptor: AlkD, DNA (5'-D(*AP*AP*GP*CP*AP*(DZM)P*AP*CP*C)-3'), DNA (5'-D(*TP*GP*GP*TP*TP*TP*GP*CP*T)-3')
Authors:Mullins, E.A, Eichman, B.F.
Deposit date:2015-07-16
Release date:2015-10-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.766 Å)
Cite:The DNA glycosylase AlkD uses a non-base-flipping mechanism to excise bulky lesions.
Nature, 527, 2015
4J8V
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BU of 4j8v by Molmil
X-ray structure of NCP145 with bound chlorido(eta-6-p-cymene)(N-phenyl-2-pyridinecarbothioamide)ruthenium(II)
Descriptor: DNA (145-MER), Histone H2A, Histone H2B 1.1, ...
Authors:Adhireksan, Z, Davey, C.A.
Deposit date:2013-02-15
Release date:2013-05-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Novel metal(II) arene 2-pyridinecarbothioamides: a rationale to orally active organometallic anticancer agents
CHEM SCI, 4, 2013
3B8S
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BU of 3b8s by Molmil
Crystal structure of wild-type chitinase A from Vibrio harveyi
Descriptor: Chitinase A
Authors:Songsiriritthigul, C, Pantoom, S, Aguda, A.H, Robinson, R.C, Suginta, W.
Deposit date:2007-11-01
Release date:2008-04-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of Vibrio harveyi chitinase A complexed with chitooligosaccharides: implications for the catalytic mechanism
J.Struct.Biol., 162, 2008

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