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5O5E
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BU of 5o5e by Molmil
Crystal structure of human UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase (DPAGT1) (V264G mutant) in complex with tunicamycin
Descriptor: (2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL (8E)-OCTADEC-8-ENOATE, Tunicamycin, UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, ...
Authors:Pike, A.C.W, Dong, Y.Y, Chu, A, Tessitore, A, Goubin, S, Dong, L, Mukhopadhyay, S, Mahajan, P, Chalk, R, Berridge, G, Wang, D, Kupinska, K, Belaya, K, Beeson, D, Burgess-Brown, N, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC)
Deposit date:2017-06-01
Release date:2018-02-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structures of DPAGT1 Explain Glycosylation Disease Mechanisms and Advance TB Antibiotic Design.
Cell, 175, 2018
5MFA
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BU of 5mfa by Molmil
Crystal structure of human promyeloperoxidase (proMPO)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Grishkovskaya, I, Furtmueller, P.G, Obinger, C, Djinovic-Carugo, K.
Deposit date:2016-11-17
Release date:2017-04-05
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structure of human promyeloperoxidase (proMPO) and the role of the propeptide in processing and maturation.
J. Biol. Chem., 292, 2017
8EZD
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BU of 8ezd by Molmil
Brain-derived 42-residue amyloid-beta fibril type A
Descriptor: Beta-amyloid protein 42
Authors:Tycko, R, Lee, M, Yau, Y.-M, Louis, J.M.
Deposit date:2022-10-31
Release date:2023-03-22
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.83 Å)
Cite:Structures of brain-derived 42-residue amyloid-beta fibril polymorphs with unusual molecular conformations and intermolecular interactions.
Proc.Natl.Acad.Sci.USA, 120, 2023
8EZE
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BU of 8eze by Molmil
Brain-derived 42-residue amyloid-beta fibril type B
Descriptor: Beta-amyloid protein 42
Authors:Tycko, R, Lee, M, Yau, Y.-M, Louis, J.M.
Deposit date:2022-10-31
Release date:2023-03-22
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.76 Å)
Cite:Structures of brain-derived 42-residue amyloid-beta fibril polymorphs with unusual molecular conformations and intermolecular interactions.
Proc.Natl.Acad.Sci.USA, 120, 2023
1WUT
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BU of 1wut by Molmil
Acyl Ureas as Human Liver Glycogen Phosphorylase Inhibitors for the Treatment of Type 2 Diabetes
Descriptor: 7-[2,6-DICHLORO-4-({[(2-CHLOROBENZOYL)AMINO]CARBONYL}AMINO)PHENOXY]HEPTANOIC ACID, Glycogen phosphorylase, muscle form
Authors:Klabunde, T, Wendt, K.U, Kadereit, D, Brachvogel, V, Burger, H.-J, Herling, A.W, Oikonomakos, N.G, Kosmopoulou, M.N, Schmoll, D, Sarubbi, E, von Roedern, E, Schonafinger, K, Defossa, E.
Deposit date:2004-12-08
Release date:2005-12-08
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Crystallographic studies on acyl ureas, a new class of glycogen phosphorylase inhibitors, as potential antidiabetic drugs
Protein Sci., 14, 2005
5ED9
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BU of 5ed9 by Molmil
Crystal structure of CC1 of mouse SUN2
Descriptor: SUN domain-containing protein 2
Authors:Nie, S, Ke, H.M, Gao, F, Ren, J.Q, Wang, M.Z, Huo, L, Gong, W.M, Feng, W.
Deposit date:2015-10-21
Release date:2016-01-13
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.009 Å)
Cite:Coiled-Coil Domains of SUN Proteins as Intrinsic Dynamic Regulators
Structure, 24, 2016
1X18
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BU of 1x18 by Molmil
Contact sites of ERA GTPase on the THERMUS THERMOPHILUS 30S SUBUNIT
Descriptor: 30S ribosomal protein S11, 30S ribosomal protein S18, 30S ribosomal protein S2, ...
Authors:Sharma, M.R, Barat, C, Agrawal, R.K.
Deposit date:2005-04-02
Release date:2005-05-17
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (13.5 Å)
Cite:Interaction of Era with the 30S Ribosomal Subunit Implications for 30S Subunit Assembly
Mol.Cell, 18, 2005
3W9C
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BU of 3w9c by Molmil
Crystal structure of the electron transfer complex of cytochrome p450cam with putidaredoxin
Descriptor: Camphor 5-monooxygenase, FE2/S2 (INORGANIC) CLUSTER, GLYCEROL, ...
Authors:Kikui, Y, Hiruma, Y, Hass, M.A, Koteishi, H, Ubbink, M, Nojiri, M.
Deposit date:2013-04-03
Release date:2013-08-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The structure of the cytochrome p450cam-putidaredoxin complex determined by paramagnetic NMR spectroscopy and crystallography.
J.Mol.Biol., 425, 2013
2Y5Q
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BU of 2y5q by Molmil
Listeria monocytogenes InlB (internalin B) residues 36-392
Descriptor: INTERNALIN B, ZINC ION
Authors:Ebbes, M, Niemann, H.H.
Deposit date:2011-01-17
Release date:2011-02-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Fold and Function of the Inlb B-Repeat.
J.Biol.Chem., 286, 2011
2Y5P
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BU of 2y5p by Molmil
B-repeat of Listeria monocytogenes InlB (internalin B)
Descriptor: CALCIUM ION, CHLORIDE ION, INTERNALIN B
Authors:Ebbes, M, Niemann, H.H.
Deposit date:2011-01-17
Release date:2011-02-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Fold and Function of the Inlb B-Repeat.
J.Biol.Chem., 286, 2011
4AW4
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BU of 4aw4 by Molmil
Engineered variant of Listeria monocytogenes InlB internalin domain with an additional leucine rich repeat inserted
Descriptor: GLYCEROL, INTERNALIN B, SULFATE ION
Authors:Niemann, H.H, Heinz, D.W.
Deposit date:2012-05-31
Release date:2012-08-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Engineered Variants of Inlb with an Additional Leucine-Rich Repeat Discriminate between Physiologically Relevant and Packing Contacts in Crystal Structures of the Inlb:Met Complex.
Protein Sci., 21, 2012
2ZEB
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BU of 2zeb by Molmil
Potent, Nonpeptide Inhibitors of Human Mast Cell Tryptase
Descriptor: 1-(1'-{[3-(methylsulfanyl)-2-benzothiophen-1-yl]carbonyl}spiro[1-benzofuran-3,4'-piperidin]-5-yl)methanamine, Tryptase beta 2
Authors:Spurlino, J.C, Lewandowski, F, Milligan, C.
Deposit date:2007-12-08
Release date:2008-12-09
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Potent, nonpeptide inhibitors of human mast cell tryptase. Synthesis and biological evaluation of novel spirocyclic piperidine amide derivatives
Bioorg.Med.Chem.Lett., 18, 2008
2ZEC
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BU of 2zec by Molmil
Potent, Nonpeptide Inhibitors of Human Mast Cell Tryptase
Descriptor: 1-[1'-(3-phenylacryloyl)spiro[1-benzofuran-3,4'-piperidin]-5-yl]methanamine, Tryptase beta 2
Authors:Spurlino, J.C, Lewandowski, F, Milligan, C.
Deposit date:2007-12-08
Release date:2008-12-09
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.059 Å)
Cite:Potent, nonpeptide inhibitors of human mast cell tryptase. Synthesis and biological evaluation of novel spirocyclic piperidine amide derivatives
Bioorg.Med.Chem.Lett., 18, 2008
3BD1
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BU of 3bd1 by Molmil
Structure of the Cro protein from putative prophage element Xfaso 1 in Xylella fastidiosa strain Ann-1
Descriptor: CHLORIDE ION, Cro protein, GLYCEROL, ...
Authors:Hall, B.M, Roberts, S.A, Montfort, W.R, Cordes, M.H.
Deposit date:2007-11-13
Release date:2008-03-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Transitive homology-guided structural studies lead to discovery of Cro proteins with 40% sequence identity but different folds
Proc.Natl.Acad.Sci.Usa, 105, 2008
7RND
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BU of 7rnd by Molmil
Crystal structure of caspase-3 with inhibitor Ac-VDPVD-CHO
Descriptor: Ac-VDPVD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17
Authors:McCue, W, Finzel, B.C.
Deposit date:2021-07-29
Release date:2022-01-05
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure-Based Design and Biological Evaluation of Novel Caspase-2 Inhibitors Based on the Peptide AcVDVAD-CHO and the Caspase-2-Mediated Tau Cleavage Sequence YKPVD314.
Acs Pharmacol Transl Sci, 5, 2022
7RN8
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BU of 7rn8 by Molmil
Crystal structure of caspase-3 with inhibitor Ac-VD(Orn)VD-CHO
Descriptor: Ac-VD(Orn)VD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17
Authors:McCue, W, Finzel, B.C.
Deposit date:2021-07-29
Release date:2022-01-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Structure-Based Design and Biological Evaluation of Novel Caspase-2 Inhibitors Based on the Peptide AcVDVAD-CHO and the Caspase-2-Mediated Tau Cleavage Sequence YKPVD314.
Acs Pharmacol Transl Sci, 5, 2022
7RNE
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BU of 7rne by Molmil
Crystal structure of caspase-3 with inhibitor Ac-YKPVD-CHO
Descriptor: Ac-YKPVD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17
Authors:McCue, W, Finzel, B.C.
Deposit date:2021-07-29
Release date:2022-01-05
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Structure-Based Design and Biological Evaluation of Novel Caspase-2 Inhibitors Based on the Peptide AcVDVAD-CHO and the Caspase-2-Mediated Tau Cleavage Sequence YKPVD314.
Acs Pharmacol Transl Sci, 5, 2022
7RM9
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BU of 7rm9 by Molmil
Human Malate Dehydrogenase I (MDHI)
Descriptor: MALONATE ION, Malate dehydrogenase, cytoplasmic
Authors:McCue, W, Finzel, B.C.
Deposit date:2021-07-27
Release date:2022-01-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural Characterization of the Human Cytosolic Malate Dehydrogenase I.
Acs Omega, 7, 2022
7RN7
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BU of 7rn7 by Molmil
Crystal structure of caspase-3 with inhibitor Ac-VD(Aly)VD-CHO
Descriptor: Ac-VD(Aly)VD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17
Authors:McCue, W, Finzel, B.C.
Deposit date:2021-07-29
Release date:2022-01-05
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-Based Design and Biological Evaluation of Novel Caspase-2 Inhibitors Based on the Peptide AcVDVAD-CHO and the Caspase-2-Mediated Tau Cleavage Sequence YKPVD314.
Acs Pharmacol Transl Sci, 5, 2022
7RNB
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BU of 7rnb by Molmil
Crystal structure of caspase-3 with inhibitor Ac-VDRVD-CHO
Descriptor: Ac-VDRVD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17
Authors:McCue, W, Finzel, B.C.
Deposit date:2021-07-29
Release date:2022-01-05
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure-Based Design and Biological Evaluation of Novel Caspase-2 Inhibitors Based on the Peptide AcVDVAD-CHO and the Caspase-2-Mediated Tau Cleavage Sequence YKPVD314.
Acs Pharmacol Transl Sci, 5, 2022
7RN9
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BU of 7rn9 by Molmil
Crystal structure of caspase-3 with inhibitor Ac-VDFVD-CHO
Descriptor: Ac-VDFVD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17
Authors:McCue, W, Finzel, B.C.
Deposit date:2021-07-29
Release date:2022-01-05
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Structure-Based Design and Biological Evaluation of Novel Caspase-2 Inhibitors Based on the Peptide AcVDVAD-CHO and the Caspase-2-Mediated Tau Cleavage Sequence YKPVD314.
Acs Pharmacol Transl Sci, 5, 2022
7RNF
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BU of 7rnf by Molmil
Crystal structure of caspase-3 with inhibitor Ac-VDKVD-CHO
Descriptor: Ac-VDKVD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17
Authors:McCue, W, Finzel, B.C.
Deposit date:2021-07-29
Release date:2022-01-05
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Structure-Based Design and Biological Evaluation of Novel Caspase-2 Inhibitors Based on the Peptide AcVDVAD-CHO and the Caspase-2-Mediated Tau Cleavage Sequence YKPVD314.
Acs Pharmacol Transl Sci, 5, 2022
1YOB
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BU of 1yob by Molmil
C69A Flavodoxin II from Azotobacter vinelandii
Descriptor: FLAVIN MONONUCLEOTIDE, Flavodoxin 2, SULFATE ION
Authors:Alagaratnam, S, van Pouderoyen, G, Pijning, T, Dijkstra, B.W, Cavazzini, D, Rossi, G.L, Canters, G.W.
Deposit date:2005-01-27
Release date:2005-10-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:A crystallographic study of Cys69Ala flavodoxin II from Azotobacter vinelandii: structural determinants of redox potential
Protein Sci., 14, 2005
7UX0
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BU of 7ux0 by Molmil
Human Sperm TMEM95 Ectodomain
Descriptor: Sperm-egg fusion protein TMEM95, TRIETHYLENE GLYCOL, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Tang, S, Kim, P.S.
Deposit date:2022-05-04
Release date:2022-10-12
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Human sperm TMEM95 binds eggs and facilitates membrane fusion.
Proc.Natl.Acad.Sci.USA, 119, 2022
7XKE
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BU of 7xke by Molmil
Cryo-EM structure of DHEA-ADGRG2-FL-Gs complex
Descriptor: 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE, Adhesion G-protein coupled receptor G2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Guo, S.C, Xiao, P, Lin, H, Sun, J.P, Yu, X.
Deposit date:2022-04-19
Release date:2022-08-10
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structures of the ADGRG2-G s complex in apo and ligand-bound forms.
Nat.Chem.Biol., 18, 2022

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